{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "27ee7072",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "INFO:rdkit:Enabling RDKit 2021.09.4 jupyter extensions\n"
     ]
    }
   ],
   "source": [
    "import glob\n",
    "import json\n",
    "import os\n",
    "import re\n",
    "import time\n",
    "import wget\n",
    "import urllib.parse\n",
    "import argparse\n",
    "\n",
    "\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import pubchempy as pcp\n",
    "\n",
    "\n",
    "from pybatchclassyfire import *\n",
    "from pandas import json_normalize\n",
    "from rdkit import Chem\n",
    "from rdkit import DataStructs\n",
    "from rdkit.Chem import AllChem\n",
    "from rdkit.Chem import rdFMCS\n",
    "from rdkit.Chem import PandasTools"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "39f5e423",
   "metadata": {},
   "outputs": [],
   "source": [
    "def isNaN(string):\n",
    "    return string != string"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "cdd03997",
   "metadata": {},
   "source": [
    "# suspectlist generation for SIRIUS and MetFrag"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "id": "eaeee651",
   "metadata": {},
   "outputs": [],
   "source": [
    "def slist_sirius(input_dir, slist_csv, name, substring=None):\n",
    "\n",
    "    \"\"\"slist_sirius is used to create a tsv file that contains a list of\n",
    "    SMILES. The function also runs the sirius command custom db to create\n",
    "    fingerprints for each SMILES in a folder that we by default name as\n",
    "    SL_Frag/. This fingerprints folder is later used by SIRIUS to use\n",
    "    these compounds as a another small list of compounds to match against\n",
    "    the input spectra fingerprints.\n",
    "    Since SIRIUS doesn't take disconnected structure, Multiply charged,\n",
    "    Incorrect syntax, wild card(*) in smiles; this function removes all\n",
    "    such SMILES from the Suspect List.\n",
    "\n",
    "    Parameters:\n",
    "    input_dir (str): This is the input directory where all the .mzML\n",
    "    files and their respective result directories are stored. For this\n",
    "    function this directory must contain a csv file that has a column\n",
    "    named \"SMILES\".\n",
    "\n",
    "    slist_csv (str): This is the csv file that contains a column of\n",
    "    \"SMILES\". Additionally this file can contain other information\n",
    "    about the compounds, but for this function, column of \"SMILES\",\n",
    "    named as \"SMILES\" is necessary.\n",
    "\n",
    "    substring (list): provide a list of strings of SMILES that\n",
    "    shouldn't be considered, provide a list even if there is one string\n",
    "    that shouldnt be considered. e.g: \"[Fe+2]\".\n",
    "\n",
    "    Returns:\n",
    "    tsv: a tsv file of list of SMILES, named as SL_Sirius.tsv, is stored\n",
    "    in input_dir\n",
    "    directory: a directory with compound fragmentations will be created\n",
    "    in a folder named SL_Frag/ within the same input_dir\n",
    "\n",
    "\n",
    "    Usage:\n",
    "    slist_sirius(\"/user/project/\", \"suspectlist.csv\",\n",
    "    substring = None)\n",
    "\n",
    "    \"\"\"\n",
    "\n",
    "    sl = pd.read_csv(slist_csv)\n",
    "\n",
    "    # define function to neutralize the charged SMILES\n",
    "    def neutralize_atoms(mol):\n",
    "\n",
    "        pattern = Chem.MolFromSmarts(\n",
    "            \"[+1!h0!$([*]~[-1,-2,-3,-4]),-1!$([*]~[+1,+2,+3,+4])]\"\n",
    "        )\n",
    "        at_matches = mol.GetSubstructMatches(pattern)\n",
    "        at_matches_list = [y[0] for y in at_matches]\n",
    "        if len(at_matches_list) > 0:\n",
    "            for at_idx in at_matches_list:\n",
    "                atom = mol.GetAtomWithIdx(at_idx)\n",
    "                chg = atom.GetFormalCharge()\n",
    "                hcount = atom.GetTotalNumHs()\n",
    "                atom.SetFormalCharge(0)\n",
    "                atom.SetNumExplicitHs(hcount - chg)\n",
    "                atom.UpdatePropertyCache()\n",
    "        return mol\n",
    "\n",
    "    for i, row in sl.iterrows():\n",
    "        # remove SMILES with wild card\n",
    "        if \"*\" in sl[\"SMILES\"][i]:\n",
    "            sl = sl.drop(labels=i, axis=0)\n",
    "    for i, row in sl.iterrows():\n",
    "        # remove SMILES with any string present in the substring\n",
    "        if substring:\n",
    "            if bool([ele for ele in substring if (ele in sl[\"SMILES\"][i])]):\n",
    "                sl = sl.drop(labels=i, axis=0)\n",
    "    for i, row in sl.iterrows():\n",
    "        if \".\" in sl[\"SMILES\"][i]:\n",
    "            sl.loc[i, \"SMILES\"] = sl[\"SMILES\"][i].split(\".\")[0]\n",
    "    # Neutralize the charged SMILES\n",
    "    for i, row in sl.iterrows():\n",
    "        if \"+\" in sl[\"SMILES\"][i] or \"-\" in sl[\"SMILES\"][i]:\n",
    "            mol = Chem.MolFromSmiles(sl[\"SMILES\"][i])\n",
    "            neutralize_atoms(mol)\n",
    "            sl.loc[i, \"SMILES\"] = Chem.MolToSmiles(mol)\n",
    "\n",
    "            # Remove multiple charged SMILES\n",
    "            if \"+\" in sl[\"SMILES\"][i] or \"-\" in sl[\"SMILES\"][i]:\n",
    "                pos = sl[\"SMILES\"][i].count(\"+\")\n",
    "                neg = sl[\"SMILES\"][i].count(\"-\")\n",
    "                charge = pos + neg\n",
    "                if charge > 1:\n",
    "                    sl = sl.drop(labels=i, axis=0)\n",
    "\n",
    "    slsirius = pd.DataFrame({\"smiles\": sl[\"SMILES\"]})\n",
    "    slsirius.to_csv(input_dir + \"SL_Sirius.tsv\", sep=\"\\t\", header=False, index=False)\n",
    "    print(\n",
    "        \"sirius --input \"\n",
    "        + input_dir\n",
    "        + \"SL_Sirius.tsv\"\n",
    "        + \" --name \"\n",
    "        + name\n",
    "        + \" custom-db --output \"\n",
    "        + input_dir\n",
    "         )\n",
    "    os.system(\n",
    "        \"sirius --input \"\n",
    "        + input_dir\n",
    "        + \"SL_Sirius.tsv\"\n",
    "        + \" --name\"\n",
    "        + name\n",
    "        + \" custom-db --output \"\n",
    "        + input_dir\n",
    "    )\n",
    "\n",
    "\n",
    "# In[ ]:\n",
    "def slist_metfrag(input_dir, slist_csv, name):\n",
    "    \"\"\"slist_metfrag is used to create a txt file that contains a list of\n",
    "    InChIKeys. This list is later used by MetFrag to use these compounds\n",
    "    as a Suspect List.\n",
    "\n",
    "    Parameters:\n",
    "    input_dir (str): This is the input directory where all the .mzML\n",
    "    files and their respective result directories are stored. For this\n",
    "    function this directory must contain a csv file that has a column\n",
    "    named \"SMILES\".\n",
    "\n",
    "    slist_csv (str): This is the csv file that contains a column of\n",
    "    \"SMILES\". Additionally this file can contain other information\n",
    "    about the compounds, but for this function, column of \"SMILES\",\n",
    "    named as \"SMILES\" is necessary.\n",
    "\n",
    "    Returns:\n",
    "    list: list of InChIKeys\n",
    "    txt: a txt file of list of InChIKeys, is stored in input_dir\n",
    "\n",
    "    Usage:\n",
    "    slist_metfrag(input_dir = \"/user/project/\", slist_csv =\n",
    "    \"suspectlist.csv\")\n",
    "\n",
    "    \"\"\"\n",
    "\n",
    "    sl = pd.read_csv(slist_csv)\n",
    "    sl_mtfrag = []\n",
    "    for i, rows in sl.iterrows():\n",
    "        if i is not None:\n",
    "            mols = Chem.MolFromSmiles(sl[\"SMILES\"][i])\n",
    "            try:\n",
    "                sl.loc[i, \"InChIKey\"] = Chem.inchi.MolToInchiKey(mols)\n",
    "                sl_mtfrag.append(sl[\"InChIKey\"][i])\n",
    "            except Exception as e:\n",
    "                print(e)\n",
    "\n",
    "    with open((input_dir + \"/SL_\" + name + \".txt\"), \"w\") as filehandle:\n",
    "        for listitem in sl_mtfrag:\n",
    "            filehandle.write(\"%s\\n\" % listitem)\n",
    "\n",
    "    return sl_mtfrag"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "4b4a021c",
   "metadata": {},
   "outputs": [],
   "source": [
    "#slist_metfrag(input_dir = \"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom\", slist_csv = \"/Users/mahnoorzulfiqar/OneDriveUNI/SuspectList/SkeletonemaSuspectListV1.csv\", name =\"Smarinoi_MetFrag\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "id": "0d69c7d2",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "sirius --input /Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SL_Sirius.tsv --name SL_Smarinoi_Sirius custom-db --output /Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Mar 07, 2023 12:58:32 PM org.apache.commons.beanutils.FluentPropertyBeanIntrospector introspect\n",
      "INFO: Error when creating PropertyDescriptor for public final void org.apache.commons.configuration2.AbstractConfiguration.setProperty(java.lang.String,java.lang.Object)! Ignoring this property.\n",
      "INFO    12:58:32 - Sirius Workspace Successfull initialized at: /Users/mahnoorzulfiqar/.sirius-5.6\n",
      "INFO    12:58:32 - You run SIRIUS 5.6.3\n",
      "INFO    12:58:32 - You run SIRIUS in 'CLI' mode.\n",
      "INFO    12:58:33 - Sirius was compiled with the following ILP solvers: GLPK-v1.7.0 (included), Gurobi-v9.1.1, CPLEX-v12.7.1, COIN-OR-v1.17.3\n",
      "INFO    12:58:33 - Treebuilder priorities loaded from 'sirius.properties' are: [CLP, GUROBI, CPLEX]\n",
      "INFO    12:58:33 - CPU check done. 5 cores that handle 10 threads were found.\n",
      "INFO    12:58:35 - Web API initialized.\n",
      "INFO    12:58:35 - Running with following arguments: [--input, /Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SL_Sirius.tsv, --nameSL_Smarinoi_Sirius, custom-db, --output, /Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/]\n",
      "INFO    12:58:35 - Job manager successful initialized with 8 CPU thread(s) and 4 IO thread(s).\n",
      "FINE    12:58:35 - <0>[InputExpanderJJob-0] Running post processing\n",
      "FINE    12:58:35 - <0>[InputExpanderJJob-0] Running cleanup\n",
      "INFO    12:58:35 - <1>[InputExpanderJJob-1] Expanding Input Files: '/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SL_Sirius.tsv'...\n",
      "INFO    12:58:35 - <1>[InputExpanderJJob-1] ...Input Files successfully expanded!\n",
      "FINE    12:58:35 - <1>[InputExpanderJJob-1] Running post processing\n",
      "FINE    12:58:35 - <1>[InputExpanderJJob-1] Running cleanup\n",
      "Unknown options: '--output', '/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/'\n",
      "Usage: sirius custom-db [-hV] [[--show [--db=<db>] [--details]]\n",
      "                        [--import=<location> [--buffer=<writeBuffer>]\n",
      "                        [--derive-from=<parentDBs>[,<parentDBs>...]]...\n",
      "                        [-c=<compression>]] [--remove=<location> [-d]]]\n",
      "\n",
      "<STANDALONE> Generate a custom searchable structure database. Import multiple\n",
      "files with compounds as SMILES or InChi into this DB.\n",
      "\n",
      "\n",
      "  -h, --help                Show this help message and exit.\n",
      "  -V, --version             Print version information and exit.\n",
      "\n",
      " List custom database(s):\n",
      "      --show\n",
      "      --db=<db>             Show information only about the given custom\n",
      "                              database.\n",
      "      --details             Show detailed (technical) information.\n",
      "\n",
      " Import custom database:\n",
      "      --import=<location>   Location of the custom database to import into.\n",
      "                            If no input data is given (global --input) the\n",
      "                              database will just be added to SIRIUS\n",
      "                            The added db will also be available in the GUI\n",
      "                            If just a name is given the db will be stored\n",
      "                              locally in\n",
      "                              '$SIRIUS_WORKSPACE/csi_fingerid_cache/custom'.\n",
      "                            A location can either be a absolute local path or\n",
      "                              (experimental) a 's3' cloud storage location e.g.\n",
      "                              's3://my-bucket\n",
      "                            The Location of the SIRIUS workspace can be set\n",
      "                              globally by (--workspace).\n",
      "      --buffer, --buffer-size=<writeBuffer>\n",
      "                            Maximum number of downloaded/computed compounds to\n",
      "                              keep in memory before writing them to disk (into\n",
      "                              the db directory).\n",
      "                              Default: 1000\n",
      "      --derive-from=<parentDBs>[,<parentDBs>...]\n",
      "                            The resulting custom-db will be the Union of the\n",
      "                              given parent database and the imported structures.\n",
      "  -c, --compression=<compression>\n",
      "                            Specify compression mode.\n",
      "                              Default: GZIP\n",
      "\n",
      " Remove custom database:\n",
      "      --remove=<location>   Name (--show) or path of the custom database to\n",
      "                              remove from SIRIUS.\n",
      "  -d, --delete              Delete removed custom database from\n",
      "                              filesystem/server.\n",
      "INFO    12:58:35 - CLI shut down hook: SIRIUS is cleaning up threads and shuts down...\n"
     ]
    }
   ],
   "source": [
    "slist_sirius(input_dir = \"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/\", slist_csv = \"/Users/mahnoorzulfiqar/OneDriveUNI/SuspectList/SkeletonemaSuspectListV1.csv\", name = \"SL_Smarinoi_Sirius\", substring=\"[Fe+2]\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "75064f66",
   "metadata": {},
   "source": [
    "os.system(\"sirius --input /Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SL_Sirius.tsv --name SL_Smarinoi_Sirius custom-db\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "cd6f79f7",
   "metadata": {},
   "source": [
    "# MetFrag-coconut"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "982e86c5",
   "metadata": {},
   "outputs": [],
   "source": [
    "coconut_db2021 = pd.read_csv(\"/Users/mahnoorzulfiqar/Downloads/COCONUT4MetFrag_april.csv\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "0c9b1dd5",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['coconut_id', 'molecular_formula', 'clean_smiles', 'inchi', 'inchikey',\n",
       "       'coconut_id.1'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "coconut_db2021.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "413b0392",
   "metadata": {},
   "outputs": [],
   "source": [
    "coconut_db2021.rename(columns = {'coconut_id':'Identifier'}, inplace = True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "81f0d39e",
   "metadata": {},
   "outputs": [],
   "source": [
    "coconut_db2021.to_csv(\"/Users/mahnoorzulfiqar/Downloads/COCONUT4MetFrag_april_columnchanged.csv\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "167c2a52",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "f86fae9c",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "319afa9d",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "e9b65698",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:46:53] Explicit valence for atom # 20 C, 6, is greater than permitted\n",
      "[13:46:53] Explicit valence for atom # 20 C, 6, is greater than permitted\n",
      "RDKit ERROR: [13:46:53] ERROR: Could not sanitize molecule ending on line 53\n",
      "[13:46:53] ERROR: Could not sanitize molecule ending on line 53\n",
      "RDKit ERROR: [13:46:53] ERROR: Explicit valence for atom # 20 C, 6, is greater than permitted\n",
      "[13:46:53] ERROR: Explicit valence for atom # 20 C, 6, is greater than permitted\n",
      "[13:46:58] Explicit valence for atom # 3 B, 4, is greater than permitted\n",
      "RDKit ERROR: [13:46:58] Explicit valence for atom # 3 B, 4, is greater than permitted\n",
      "RDKit ERROR: [13:46:58] ERROR: Could not sanitize molecule ending on line 329955\n",
      "[13:46:58] ERROR: Could not sanitize molecule ending on line 329955\n",
      "RDKit ERROR: [13:46:58] ERROR: Explicit valence for atom # 3 B, 4, is greater than permitted\n",
      "[13:46:58] ERROR: Explicit valence for atom # 3 B, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2233425\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2233535\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2233425\n",
      "[13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2233535\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2237656\n",
      "[13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2237656\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2240157\n",
      "[13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2240157\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2242854\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2242975\n",
      "[13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2242854\n",
      "[13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2242975\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2245063\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2245063\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[13:47:29] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:29] ERROR: Could not sanitize molecule ending on line 2247020\n",
      "[13:47:29] ERROR: Could not sanitize molecule ending on line 2247020\n",
      "RDKit ERROR: [13:47:29] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[13:47:29] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[13:47:30] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:30] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:30] ERROR: Could not sanitize molecule ending on line 2251524\n",
      "[13:47:30] ERROR: Could not sanitize molecule ending on line 2251524\n",
      "RDKit ERROR: [13:47:30] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:30] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:30] Explicit valence for atom # 1 C greater than permitted\n",
      "RDKit ERROR: [13:47:30] Explicit valence for atom # 1 C greater than permitted\n",
      "RDKit ERROR: [13:47:30] ERROR: Could not sanitize molecule ending on line 2267348\n",
      "[13:47:30] ERROR: Could not sanitize molecule ending on line 2267348\n",
      "RDKit ERROR: [13:47:30] ERROR: Explicit valence for atom # 1 C greater than permitted\n",
      "[13:47:30] ERROR: Explicit valence for atom # 1 C greater than permitted\n",
      "[13:47:30] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:47:30] Unexpected error hit on line 2284048\n",
      "RDKit ERROR: [13:47:30] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:47:30] Unexpected error hit on line 2284048\n",
      "RDKit ERROR: [13:47:30] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2316464\n",
      "[13:47:30] ERROR: moving to the beginning of the next molecule\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2316464\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2317878\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2317999\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2317878\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2317999\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2334376\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2334376\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2343117\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2343117\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2349700\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2349700\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2355362\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2355362\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:31] ERROR: Could not sanitize molecule ending on line 2368682\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Could not sanitize molecule ending on line 2368682\n",
      "RDKit ERROR: [13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:31] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] ERROR: Could not sanitize molecule ending on line 2379854\n",
      "[13:47:32] ERROR: Could not sanitize molecule ending on line 2379854\n",
      "RDKit ERROR: [13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] ERROR: Could not sanitize molecule ending on line 2382912\n",
      "[13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] ERROR: Could not sanitize molecule ending on line 2382912\n",
      "RDKit ERROR: [13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] ERROR: Could not sanitize molecule ending on line 2386490\n",
      "RDKit ERROR: [13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] ERROR: Could not sanitize molecule ending on line 2386783\n",
      "[13:47:32] ERROR: Could not sanitize molecule ending on line 2386490\n",
      "[13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] ERROR: Could not sanitize molecule ending on line 2386783\n",
      "RDKit ERROR: [13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:32] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:32] ERROR: Could not sanitize molecule ending on line 2394759\n",
      "[13:47:32] ERROR: Could not sanitize molecule ending on line 2394759\n",
      "RDKit ERROR: [13:47:32] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[13:47:32] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[13:47:33] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:33] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:33] ERROR: Could not sanitize molecule ending on line 2454977\n",
      "[13:47:33] ERROR: Could not sanitize molecule ending on line 2454977\n",
      "RDKit ERROR: [13:47:33] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:33] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:44] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:44] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:44] ERROR: Could not sanitize molecule ending on line 3120182\n",
      "[13:47:44] ERROR: Could not sanitize molecule ending on line 3120182\n",
      "RDKit ERROR: [13:47:44] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[13:47:44] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[13:47:45] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:45] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:45] ERROR: Could not sanitize molecule ending on line 3189935\n",
      "[13:47:45] ERROR: Could not sanitize molecule ending on line 3189935\n",
      "RDKit ERROR: [13:47:45] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:45] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:54] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:54] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:54] ERROR: Could not sanitize molecule ending on line 3695425\n",
      "[13:47:54] ERROR: Could not sanitize molecule ending on line 3695425\n",
      "RDKit ERROR: [13:47:54] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:54] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:47:54] ERROR: Could not sanitize molecule ending on line 3714191\n",
      "[13:47:54] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:54] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:54] ERROR: Could not sanitize molecule ending on line 3714191\n",
      "RDKit ERROR: [13:47:54] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:47:54] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:48:14] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:48:14] Unexpected error hit on line 4862664\n",
      "RDKit ERROR: [13:48:14] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:48:14] Unexpected error hit on line 4862664\n",
      "RDKit ERROR: [13:48:14] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:14] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:17] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:48:17] Unexpected error hit on line 5042005\n",
      "RDKit ERROR: [13:48:17] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:48:17] Unexpected error hit on line 5042005\n",
      "RDKit ERROR: [13:48:17] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:17] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:28] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:48:28] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:48:28] ERROR: Could not sanitize molecule ending on line 5742872\n",
      "[13:48:28] ERROR: Could not sanitize molecule ending on line 5742872\n",
      "RDKit ERROR: [13:48:28] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:48:28] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:48:38] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:48:38] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:48:38] ERROR: Could not sanitize molecule ending on line 6338321\n",
      "RDKit ERROR: [13:48:38] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:48:38] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:48:38] ERROR: Could not sanitize molecule ending on line 6338435\n",
      "[13:48:38] ERROR: Could not sanitize molecule ending on line 6338321\n",
      "[13:48:38] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[13:48:38] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[13:48:38] ERROR: Could not sanitize molecule ending on line 6338435\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:48:38] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[13:48:38] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] ERROR: Could not sanitize molecule ending on line 6462417\n",
      "[13:48:40] ERROR: Could not sanitize molecule ending on line 6462417\n",
      "RDKit ERROR: [13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] ERROR: Could not sanitize molecule ending on line 6464060\n",
      "[13:48:40] ERROR: Could not sanitize molecule ending on line 6464060\n",
      "RDKit ERROR: [13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] Explicit valence for atom # 9 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] ERROR: Could not sanitize molecule ending on line 6464671\n",
      "[13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] Explicit valence for atom # 9 C, 5, is greater than permitted\n",
      "[13:48:40] ERROR: Could not sanitize molecule ending on line 6464671\n",
      "RDKit ERROR: [13:48:40] ERROR: Explicit valence for atom # 9 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] ERROR: Could not sanitize molecule ending on line 6470600\n",
      "RDKit ERROR: [13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] ERROR: Explicit valence for atom # 9 C, 5, is greater than permitted\n",
      "[13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] ERROR: Could not sanitize molecule ending on line 6470600\n",
      "[13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:48:40] ERROR: Could not sanitize molecule ending on line 6471087\n",
      "[13:48:40] ERROR: Could not sanitize molecule ending on line 6471087\n",
      "RDKit ERROR: [13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:40] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:48:45] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:48:45] Unexpected error hit on line 6781332\n",
      "RDKit ERROR: [13:48:45] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:48:45] Unexpected error hit on line 6781332\n",
      "RDKit ERROR: [13:48:45] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:45] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:52] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:48:52] Unexpected error hit on line 7207131\n",
      "RDKit ERROR: [13:48:52] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:48:52] Unexpected error hit on line 7207131\n",
      "RDKit ERROR: [13:48:52] ERROR: moving to the beginning of the next molecule\n",
      "[13:48:52] ERROR: moving to the beginning of the next molecule\n",
      "[13:49:00] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:00] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:00] ERROR: Could not sanitize molecule ending on line 7731695\n",
      "[13:49:00] ERROR: Could not sanitize molecule ending on line 7731695\n",
      "RDKit ERROR: [13:49:00] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[13:49:00] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[13:49:12] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:12] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:12] ERROR: Could not sanitize molecule ending on line 8676751\n",
      "[13:49:12] ERROR: Could not sanitize molecule ending on line 8676751\n",
      "RDKit ERROR: [13:49:12] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:14] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:14] ERROR: Could not sanitize molecule ending on line 8817454\n",
      "[13:49:12] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[13:49:14] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[13:49:14] ERROR: Could not sanitize molecule ending on line 8817454\n",
      "RDKit ERROR: [13:49:14] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[13:49:14] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[13:49:16] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:16] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:16] ERROR: Could not sanitize molecule ending on line 8982866\n",
      "[13:49:16] ERROR: Could not sanitize molecule ending on line 8982866\n",
      "RDKit ERROR: [13:49:16] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:49:16] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:49:20] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:20] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:49:20] ERROR: Could not sanitize molecule ending on line 9300234\n",
      "[13:49:20] ERROR: Could not sanitize molecule ending on line 9300234\n",
      "RDKit ERROR: [13:49:20] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[13:49:20] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[13:49:29] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:49:29] Unexpected error hit on line 9874487\n",
      "RDKit ERROR: [13:49:29] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:49:29] Unexpected error hit on line 9874487\n",
      "RDKit ERROR: [13:49:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:49:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:49:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:49:41] Unexpected error hit on line 10634119\n",
      "RDKit ERROR: [13:49:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:49:41] Unexpected error hit on line 10634119\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:49:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:49:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:01] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:01] Unexpected error hit on line 11893311\n",
      "RDKit ERROR: [13:50:01] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:01] Unexpected error hit on line 11893311\n",
      "RDKit ERROR: [13:50:01] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:01] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:11] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:11] Unexpected error hit on line 12554838\n",
      "RDKit ERROR: [13:50:11] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:11] Unexpected error hit on line 12554838\n",
      "RDKit ERROR: [13:50:11] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:50:11] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:50:11] ERROR: Could not sanitize molecule ending on line 12558077\n",
      "[13:50:11] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:11] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:50:11] ERROR: Could not sanitize molecule ending on line 12558077\n",
      "RDKit ERROR: [13:50:11] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:50:11] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:50:14] Explicit valence for atom # 26 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:50:14] Explicit valence for atom # 26 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:50:14] ERROR: Could not sanitize molecule ending on line 12739245\n",
      "[13:50:14] ERROR: Could not sanitize molecule ending on line 12739245\n",
      "RDKit ERROR: [13:50:14] ERROR: Explicit valence for atom # 26 H, 2, is greater than permitted\n",
      "[13:50:14] ERROR: Explicit valence for atom # 26 H, 2, is greater than permitted\n",
      "[13:50:17] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:17] Unexpected error hit on line 12918492\n",
      "RDKit ERROR: [13:50:17] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:17] Unexpected error hit on line 12918492\n",
      "RDKit ERROR: [13:50:17] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:17] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:28] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:50:28] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:50:28] ERROR: Could not sanitize molecule ending on line 13619948\n",
      "[13:50:28] ERROR: Could not sanitize molecule ending on line 13619948\n",
      "RDKit ERROR: [13:50:28] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:50:28] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:50:30] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:50:30] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:50:30] ERROR: Could not sanitize molecule ending on line 13733298\n",
      "[13:50:30] ERROR: Could not sanitize molecule ending on line 13733298\n",
      "RDKit ERROR: [13:50:30] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:50:30] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[13:50:38] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:38] Unexpected error hit on line 14265963\n",
      "RDKit ERROR: [13:50:38] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:38] Unexpected error hit on line 14265963\n",
      "RDKit ERROR: [13:50:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:47] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:47] Unexpected error hit on line 14851381\n",
      "RDKit ERROR: [13:50:47] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:47] Unexpected error hit on line 14851381\n",
      "RDKit ERROR: [13:50:47] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:47] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:54] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:54] Unexpected error hit on line 15259367\n",
      "RDKit ERROR: [13:50:54] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:54] Unexpected error hit on line 15259367\n",
      "RDKit ERROR: [13:50:54] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:50:57] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:50:57] Unexpected error hit on line 15435530\n",
      "[13:50:54] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:57] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:50:57] Unexpected error hit on line 15435530\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:50:57] ERROR: moving to the beginning of the next molecule\n",
      "[13:50:57] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:04] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:51:04] Unexpected error hit on line 15899577\n",
      "RDKit ERROR: [13:51:04] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:51:04] Unexpected error hit on line 15899577\n",
      "RDKit ERROR: [13:51:04] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:04] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:51:10] Unexpected error hit on line 16300575\n",
      "RDKit ERROR: [13:51:10] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:51:10] Unexpected error hit on line 16300575\n",
      "RDKit ERROR: [13:51:10] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:10] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:13] Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:51:13] Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:51:13] ERROR: Could not sanitize molecule ending on line 16452589\n",
      "[13:51:13] ERROR: Could not sanitize molecule ending on line 16452589\n",
      "RDKit ERROR: [13:51:13] ERROR: Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "[13:51:13] ERROR: Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "[13:51:33] Explicit valence for atom # 23 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:51:33] Explicit valence for atom # 23 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:51:33] ERROR: Could not sanitize molecule ending on line 17710848\n",
      "[13:51:33] ERROR: Could not sanitize molecule ending on line 17710848\n",
      "RDKit ERROR: [13:51:33] ERROR: Explicit valence for atom # 23 S, 8, is greater than permitted\n",
      "[13:51:33] ERROR: Explicit valence for atom # 23 S, 8, is greater than permitted\n",
      "[13:51:48] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:51:48] Unexpected error hit on line 18679041\n",
      "RDKit ERROR: [13:51:48] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:51:48] Unexpected error hit on line 18679041\n",
      "RDKit ERROR: [13:51:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:50] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:51:50] Unexpected error hit on line 18835449\n",
      "RDKit ERROR: [13:51:50] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:51:50] Unexpected error hit on line 18835449\n",
      "RDKit ERROR: [13:51:50] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:50] ERROR: moving to the beginning of the next molecule\n",
      "[13:51:58] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:51:58] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:51:58] ERROR: Could not sanitize molecule ending on line 19308602\n",
      "[13:51:58] ERROR: Could not sanitize molecule ending on line 19308602\n",
      "RDKit ERROR: [13:51:58] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[13:51:58] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[13:52:03] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:52:03] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:52:03] ERROR: Could not sanitize molecule ending on line 19632414\n",
      "[13:52:03] ERROR: Could not sanitize molecule ending on line 19632414\n",
      "RDKit ERROR: [13:52:03] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[13:52:03] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[13:52:07] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:52:07] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:52:07] ERROR: Could not sanitize molecule ending on line 19871625\n",
      "[13:52:07] ERROR: Could not sanitize molecule ending on line 19871625\n",
      "RDKit ERROR: [13:52:07] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:52:07] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:52:15] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:52:15] Unexpected error hit on line 20364789\n",
      "RDKit ERROR: [13:52:15] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:52:15] Unexpected error hit on line 20364789\n",
      "RDKit ERROR: [13:52:15] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:15] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:40] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:52:40] Unexpected error hit on line 21946882\n",
      "RDKit ERROR: [13:52:40] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:52:40] Unexpected error hit on line 21946882\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:52:40] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:40] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:49] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:52:49] Unexpected error hit on line 22569486\n",
      "RDKit ERROR: [13:52:49] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:52:49] Unexpected error hit on line 22569486\n",
      "RDKit ERROR: [13:52:49] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:49] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:51] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:52:51] Unexpected error hit on line 22651735\n",
      "RDKit ERROR: [13:52:51] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:52:51] Unexpected error hit on line 22651735\n",
      "RDKit ERROR: [13:52:51] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:51] ERROR: moving to the beginning of the next molecule\n",
      "[13:52:55] Explicit valence for atom # 7 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:52:55] Explicit valence for atom # 7 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:52:55] ERROR: Could not sanitize molecule ending on line 22952757\n",
      "[13:52:55] ERROR: Could not sanitize molecule ending on line 22952757\n",
      "RDKit ERROR: [13:52:55] ERROR: Explicit valence for atom # 7 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:53:22] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "[13:52:55] ERROR: Explicit valence for atom # 7 C, 5, is greater than permitted\n",
      "[13:53:22] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:53:22] Unexpected error hit on line 24647638\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:53:22] Unexpected error hit on line 24647638\n",
      "RDKit ERROR: [13:53:22] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:22] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:23] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:53:23] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:53:23] ERROR: Could not sanitize molecule ending on line 24684100\n",
      "[13:53:23] ERROR: Could not sanitize molecule ending on line 24684100\n",
      "RDKit ERROR: [13:53:23] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[13:53:23] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[13:53:33] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:53:33] Unexpected error hit on line 25358737\n",
      "RDKit ERROR: [13:53:33] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:53:33] Unexpected error hit on line 25358737\n",
      "RDKit ERROR: [13:53:33] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:33] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:35] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:53:35] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:53:35] ERROR: Could not sanitize molecule ending on line 25449898\n",
      "[13:53:35] ERROR: Could not sanitize molecule ending on line 25449898\n",
      "RDKit ERROR: [13:53:35] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:53:35] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:53:40] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:53:40] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:53:40] ERROR: Could not sanitize molecule ending on line 25786132\n",
      "[13:53:40] ERROR: Could not sanitize molecule ending on line 25786132\n",
      "RDKit ERROR: [13:53:40] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:53:40] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:53:45] Explicit valence for atom # 32 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:53:45] Explicit valence for atom # 32 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:53:45] ERROR: Could not sanitize molecule ending on line 26092799\n",
      "[13:53:45] ERROR: Could not sanitize molecule ending on line 26092799\n",
      "RDKit ERROR: [13:53:45] ERROR: Explicit valence for atom # 32 S, 8, is greater than permitted\n",
      "[13:53:45] ERROR: Explicit valence for atom # 32 S, 8, is greater than permitted\n",
      "[13:53:45] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:53:45] Unexpected error hit on line 26120389\n",
      "RDKit ERROR: [13:53:45] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:53:45] Unexpected error hit on line 26120389\n",
      "RDKit ERROR: [13:53:45] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:45] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:46] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:53:46] Unexpected error hit on line 26134654\n",
      "RDKit ERROR: [13:53:46] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:53:46] Unexpected error hit on line 26134654\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:53:46] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:46] ERROR: moving to the beginning of the next molecule\n",
      "[13:53:47] Explicit valence for atom # 18 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:53:47] Explicit valence for atom # 18 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:53:47] ERROR: Could not sanitize molecule ending on line 26226250\n",
      "[13:53:47] ERROR: Could not sanitize molecule ending on line 26226250\n",
      "RDKit ERROR: [13:53:47] ERROR: Explicit valence for atom # 18 O, 3, is greater than permitted\n",
      "[13:53:47] ERROR: Explicit valence for atom # 18 O, 3, is greater than permitted\n",
      "[13:53:52] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:53:52] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:53:52] ERROR: Could not sanitize molecule ending on line 26579803\n",
      "[13:53:52] ERROR: Could not sanitize molecule ending on line 26579803\n",
      "RDKit ERROR: [13:53:52] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:53:52] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:54:01] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:01] Unexpected error hit on line 27156315\n",
      "RDKit ERROR: [13:54:01] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:01] Unexpected error hit on line 27156315\n",
      "RDKit ERROR: [13:54:01] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:01] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:17] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:54:17] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:54:17] ERROR: Could not sanitize molecule ending on line 28138669\n",
      "[13:54:17] ERROR: Could not sanitize molecule ending on line 28138669\n",
      "RDKit ERROR: [13:54:17] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:54:17] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:54:32] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:32] Unexpected error hit on line 29086077\n",
      "RDKit ERROR: [13:54:32] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:32] Unexpected error hit on line 29086077\n",
      "RDKit ERROR: [13:54:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:33] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:54:33] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [13:54:33] ERROR: Could not sanitize molecule ending on line 29189794\n",
      "[13:54:33] ERROR: Could not sanitize molecule ending on line 29189794\n",
      "RDKit ERROR: [13:54:33] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[13:54:33] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[13:54:35] Explicit valence for atom # 2 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:54:35] Explicit valence for atom # 2 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:54:35] ERROR: Could not sanitize molecule ending on line 29313918\n",
      "[13:54:35] ERROR: Could not sanitize molecule ending on line 29313918\n",
      "RDKit ERROR: [13:54:35] ERROR: Explicit valence for atom # 2 N, 4, is greater than permitted\n",
      "[13:54:35] ERROR: Explicit valence for atom # 2 N, 4, is greater than permitted\n",
      "[13:54:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:41] Unexpected error hit on line 29667504\n",
      "RDKit ERROR: [13:54:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:41] Unexpected error hit on line 29667504\n",
      "RDKit ERROR: [13:54:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:46] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:46] Unexpected error hit on line 30018357\n",
      "RDKit ERROR: [13:54:46] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:46] Unexpected error hit on line 30018357\n",
      "RDKit ERROR: [13:54:46] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:46] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:47] Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:54:47] Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:54:47] ERROR: Could not sanitize molecule ending on line 30075964\n",
      "[13:54:47] ERROR: Could not sanitize molecule ending on line 30075964\n",
      "RDKit ERROR: [13:54:47] ERROR: Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "[13:54:47] ERROR: Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "[13:54:47] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:47] Unexpected error hit on line 30079619\n",
      "RDKit ERROR: [13:54:47] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:47] Unexpected error hit on line 30079619\n",
      "RDKit ERROR: [13:54:47] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:47] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:54] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:54:54] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:54:54] ERROR: Could not sanitize molecule ending on line 30501849\n",
      "[13:54:54] ERROR: Could not sanitize molecule ending on line 30501849\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:54:54] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[13:54:54] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[13:54:56] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:56] Unexpected error hit on line 30659884\n",
      "RDKit ERROR: [13:54:56] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:56] Unexpected error hit on line 30659884\n",
      "RDKit ERROR: [13:54:56] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:56] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:59] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:54:59] Unexpected error hit on line 30795931\n",
      "RDKit ERROR: [13:54:59] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:54:59] Unexpected error hit on line 30795931\n",
      "RDKit ERROR: [13:54:59] ERROR: moving to the beginning of the next molecule\n",
      "[13:54:59] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:05] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:55:05] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:55:05] ERROR: Could not sanitize molecule ending on line 31199760\n",
      "[13:55:05] ERROR: Could not sanitize molecule ending on line 31199760\n",
      "RDKit ERROR: [13:55:05] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:55:05] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:55:08] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:08] Unexpected error hit on line 31422952\n",
      "RDKit ERROR: [13:55:08] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:08] Unexpected error hit on line 31422952\n",
      "RDKit ERROR: [13:55:08] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:08] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:14] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:14] Unexpected error hit on line 31807348\n",
      "RDKit ERROR: [13:55:14] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:14] Unexpected error hit on line 31807348\n",
      "RDKit ERROR: [13:55:14] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:14] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:25] Unexpected error hit on line 32504196\n",
      "RDKit ERROR: [13:55:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:25] Unexpected error hit on line 32504196\n",
      "RDKit ERROR: [13:55:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:28] Unexpected error hit on line 32680224\n",
      "RDKit ERROR: [13:55:28] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:28] Unexpected error hit on line 32680224\n",
      "RDKit ERROR: [13:55:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:30] Explicit valence for atom # 1 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:55:30] Explicit valence for atom # 1 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:55:30] ERROR: Could not sanitize molecule ending on line 32841165\n",
      "[13:55:30] ERROR: Could not sanitize molecule ending on line 32841165\n",
      "RDKit ERROR: [13:55:30] ERROR: Explicit valence for atom # 1 H, 2, is greater than permitted\n",
      "[13:55:30] ERROR: Explicit valence for atom # 1 H, 2, is greater than permitted\n",
      "[13:55:36] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:36] Unexpected error hit on line 33238733\n",
      "RDKit ERROR: [13:55:36] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:36] Unexpected error hit on line 33238733\n",
      "RDKit ERROR: [13:55:36] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:36] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:48] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:48] Unexpected error hit on line 33967386\n",
      "RDKit ERROR: [13:55:48] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:48] Unexpected error hit on line 33967386\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:55:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:49] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:55:49] Unexpected error hit on line 34068982\n",
      "RDKit ERROR: [13:55:49] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:55:49] Unexpected error hit on line 34068982\n",
      "RDKit ERROR: [13:55:49] ERROR: moving to the beginning of the next molecule\n",
      "[13:55:49] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:05] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:05] Unexpected error hit on line 35094458\n",
      "RDKit ERROR: [13:56:05] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:05] Unexpected error hit on line 35094458\n",
      "RDKit ERROR: [13:56:05] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:05] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:13] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:13] Unexpected error hit on line 35572291\n",
      "RDKit ERROR: [13:56:13] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:13] Unexpected error hit on line 35572291\n",
      "RDKit ERROR: [13:56:13] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:13] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:25] Unexpected error hit on line 36341081\n",
      "RDKit ERROR: [13:56:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:25] Unexpected error hit on line 36341081\n",
      "RDKit ERROR: [13:56:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:29] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:29] Unexpected error hit on line 36598414\n",
      "RDKit ERROR: [13:56:29] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:29] Unexpected error hit on line 36598414\n",
      "RDKit ERROR: [13:56:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:32] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:32] Unexpected error hit on line 36803603\n",
      "RDKit ERROR: [13:56:32] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:32] Unexpected error hit on line 36803603\n",
      "RDKit ERROR: [13:56:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:43] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:43] Unexpected error hit on line 37540434\n",
      "RDKit ERROR: [13:56:43] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:43] Unexpected error hit on line 37540434\n",
      "RDKit ERROR: [13:56:43] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:43] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:43] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:43] Unexpected error hit on line 37542095\n",
      "RDKit ERROR: [13:56:43] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:43] Unexpected error hit on line 37542095\n",
      "RDKit ERROR: [13:56:43] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:43] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:51] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:51] Unexpected error hit on line 38000629\n",
      "RDKit ERROR: [13:56:51] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:51] Unexpected error hit on line 38000629\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:56:51] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:51] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:52] Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:56:52] Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:56:52] ERROR: Could not sanitize molecule ending on line 38107898\n",
      "[13:56:52] ERROR: Could not sanitize molecule ending on line 38107898\n",
      "RDKit ERROR: [13:56:52] ERROR: Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "[13:56:52] ERROR: Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "[13:56:57] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:56:57] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:56:57] ERROR: Could not sanitize molecule ending on line 38378324\n",
      "[13:56:57] ERROR: Could not sanitize molecule ending on line 38378324\n",
      "RDKit ERROR: [13:56:57] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:56:58] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:56:58] Unexpected error hit on line 38408340\n",
      "[13:56:57] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[13:56:58] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:56:58] Unexpected error hit on line 38408340\n",
      "RDKit ERROR: [13:56:58] ERROR: moving to the beginning of the next molecule\n",
      "[13:56:58] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:05] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:05] Unexpected error hit on line 38850289\n",
      "RDKit ERROR: [13:57:05] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:05] Unexpected error hit on line 38850289\n",
      "RDKit ERROR: [13:57:05] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:05] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:10] Unexpected error hit on line 39120580\n",
      "RDKit ERROR: [13:57:10] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:10] Unexpected error hit on line 39120580\n",
      "RDKit ERROR: [13:57:10] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:10] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:12] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:12] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:12] ERROR: Could not sanitize molecule ending on line 39273604\n",
      "[13:57:12] ERROR: Could not sanitize molecule ending on line 39273604\n",
      "RDKit ERROR: [13:57:12] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:57:12] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[13:57:13] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:13] Unexpected error hit on line 39325379\n",
      "RDKit ERROR: [13:57:13] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:13] Unexpected error hit on line 39325379\n",
      "RDKit ERROR: [13:57:13] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:13] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:15] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:57:15] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:57:15] ERROR: Could not sanitize molecule ending on line 39450627\n",
      "[13:57:15] ERROR: Could not sanitize molecule ending on line 39450627\n",
      "RDKit ERROR: [13:57:15] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:57:15] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:57:16] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:16] Unexpected error hit on line 39538021\n",
      "RDKit ERROR: [13:57:16] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:16] Unexpected error hit on line 39538021\n",
      "RDKit ERROR: [13:57:16] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:16] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:21] Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:21] Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:21] ERROR: Could not sanitize molecule ending on line 39811934\n",
      "[13:57:21] ERROR: Could not sanitize molecule ending on line 39811934\n",
      "RDKit ERROR: [13:57:21] ERROR: Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "[13:57:21] ERROR: Explicit valence for atom # 20 H, 2, is greater than permitted\n",
      "[13:57:23] Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:23] Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:23] ERROR: Could not sanitize molecule ending on line 39939639\n",
      "[13:57:23] ERROR: Could not sanitize molecule ending on line 39939639\n",
      "RDKit ERROR: [13:57:23] ERROR: Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "[13:57:23] ERROR: Explicit valence for atom # 14 H, 2, is greater than permitted\n",
      "[13:57:24] Explicit valence for atom # 6 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:24] Explicit valence for atom # 6 H, 2, is greater than permitted\n",
      "RDKit ERROR: [13:57:24] ERROR: Could not sanitize molecule ending on line 40056888\n",
      "[13:57:24] ERROR: Could not sanitize molecule ending on line 40056888\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:57:24] ERROR: Explicit valence for atom # 6 H, 2, is greater than permitted\n",
      "[13:57:24] ERROR: Explicit valence for atom # 6 H, 2, is greater than permitted\n",
      "[13:57:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:25] Unexpected error hit on line 40079925\n",
      "RDKit ERROR: [13:57:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:25] Unexpected error hit on line 40079925\n",
      "RDKit ERROR: [13:57:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:26] Unexpected error hit on line 40150012\n",
      "RDKit ERROR: [13:57:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:26] Unexpected error hit on line 40150012\n",
      "RDKit ERROR: [13:57:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:26] Unexpected error hit on line 40157133\n",
      "RDKit ERROR: [13:57:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:26] Unexpected error hit on line 40157133\n",
      "RDKit ERROR: [13:57:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:31] Explicit valence for atom # 4 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:57:31] Explicit valence for atom # 4 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:57:31] ERROR: Could not sanitize molecule ending on line 40495671\n",
      "[13:57:31] ERROR: Could not sanitize molecule ending on line 40495671\n",
      "RDKit ERROR: [13:57:31] ERROR: Explicit valence for atom # 4 C, 5, is greater than permitted\n",
      "[13:57:31] ERROR: Explicit valence for atom # 4 C, 5, is greater than permitted\n",
      "[13:57:34] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:34] Unexpected error hit on line 40682428\n",
      "RDKit ERROR: [13:57:34] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:34] Unexpected error hit on line 40682428\n",
      "RDKit ERROR: [13:57:34] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:34] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:36] Explicit valence for atom # 11 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:57:36] Explicit valence for atom # 11 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:57:36] ERROR: Could not sanitize molecule ending on line 40781299\n",
      "[13:57:36] ERROR: Could not sanitize molecule ending on line 40781299\n",
      "RDKit ERROR: [13:57:36] ERROR: Explicit valence for atom # 11 C, 5, is greater than permitted\n",
      "[13:57:36] ERROR: Explicit valence for atom # 11 C, 5, is greater than permitted\n",
      "[13:57:38] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:38] Unexpected error hit on line 40957539\n",
      "RDKit ERROR: [13:57:38] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:38] Unexpected error hit on line 40957539\n",
      "RDKit ERROR: [13:57:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:43] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:43] Unexpected error hit on line 41269878\n",
      "RDKit ERROR: [13:57:43] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:43] Unexpected error hit on line 41269878\n",
      "RDKit ERROR: [13:57:43] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:43] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:43] Explicit valence for atom # 7 Cl, 3, is greater than permitted\n",
      "RDKit ERROR: [13:57:43] Explicit valence for atom # 7 Cl, 3, is greater than permitted\n",
      "RDKit ERROR: [13:57:43] ERROR: Could not sanitize molecule ending on line 41293660\n",
      "[13:57:43] ERROR: Could not sanitize molecule ending on line 41293660\n",
      "RDKit ERROR: [13:57:43] ERROR: Explicit valence for atom # 7 Cl, 3, is greater than permitted\n",
      "[13:57:43] ERROR: Explicit valence for atom # 7 Cl, 3, is greater than permitted\n",
      "[13:57:46] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:46] Unexpected error hit on line 41469378\n",
      "RDKit ERROR: [13:57:46] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:46] Unexpected error hit on line 41469378\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:57:46] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:46] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:53] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:57:53] Unexpected error hit on line 41909698\n",
      "RDKit ERROR: [13:57:53] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:57:53] Unexpected error hit on line 41909698\n",
      "RDKit ERROR: [13:57:53] ERROR: moving to the beginning of the next molecule\n",
      "[13:57:53] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:11] Explicit valence for atom # 23 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:58:11] Explicit valence for atom # 23 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:58:11] ERROR: Could not sanitize molecule ending on line 43044874\n",
      "[13:58:11] ERROR: Could not sanitize molecule ending on line 43044874\n",
      "RDKit ERROR: [13:58:11] ERROR: Explicit valence for atom # 23 O, 3, is greater than permitted\n",
      "[13:58:11] ERROR: Explicit valence for atom # 23 O, 3, is greater than permitted\n",
      "[13:58:13] Explicit valence for atom # 13 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:58:13] Explicit valence for atom # 13 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:58:13] ERROR: Could not sanitize molecule ending on line 43181805\n",
      "[13:58:13] ERROR: Could not sanitize molecule ending on line 43181805\n",
      "RDKit ERROR: [13:58:13] ERROR: Explicit valence for atom # 13 O, 3, is greater than permitted\n",
      "[13:58:13] ERROR: Explicit valence for atom # 13 O, 3, is greater than permitted\n",
      "[13:58:14] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:14] Unexpected error hit on line 43239110\n",
      "RDKit ERROR: [13:58:14] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:14] Unexpected error hit on line 43239110\n",
      "RDKit ERROR: [13:58:14] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:14] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:18] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:18] Unexpected error hit on line 43492878\n",
      "RDKit ERROR: [13:58:18] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:18] Unexpected error hit on line 43492878\n",
      "RDKit ERROR: [13:58:18] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:18] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43773918\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43773918\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43778245\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43778245\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43780261\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43780261\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43780407\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43780407\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43786828\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43786828\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43787416\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43787416\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43791360\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43791360\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43794200\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43794200\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43801584\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43801584\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43807030\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43807030\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:23] Unexpected error hit on line 43813237\n",
      "RDKit ERROR: [13:58:23] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:23] Unexpected error hit on line 43813237\n",
      "RDKit ERROR: [13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:23] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:25] Unexpected error hit on line 43903408\n",
      "RDKit ERROR: [13:58:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:25] Unexpected error hit on line 43903408\n",
      "RDKit ERROR: [13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:25] Unexpected error hit on line 43909164\n",
      "[13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:25] Unexpected error hit on line 43909164\n",
      "RDKit ERROR: [13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:25] Unexpected error hit on line 43911223\n",
      "RDKit ERROR: [13:58:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:25] Unexpected error hit on line 43911223\n",
      "RDKit ERROR: [13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:25] Unexpected error hit on line 43913497\n",
      "RDKit ERROR: [13:58:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:25] Unexpected error hit on line 43913497\n",
      "RDKit ERROR: [13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:25] Unexpected error hit on line 43917900\n",
      "RDKit ERROR: [13:58:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:25] Unexpected error hit on line 43917900\n",
      "RDKit ERROR: [13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:25] Unexpected error hit on line 43932633\n",
      "[13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:25] Unexpected error hit on line 43932633\n",
      "RDKit ERROR: [13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:26] Unexpected error hit on line 43961769\n",
      "RDKit ERROR: [13:58:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:26] Unexpected error hit on line 43961769\n",
      "RDKit ERROR: [13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:26] Unexpected error hit on line 43964581\n",
      "RDKit ERROR: [13:58:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:26] Unexpected error hit on line 43964581\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:26] Unexpected error hit on line 43986719\n",
      "RDKit ERROR: [13:58:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:26] Unexpected error hit on line 43986719\n",
      "RDKit ERROR: [13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:26] Unexpected error hit on line 43989531\n",
      "[13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:26] Unexpected error hit on line 43989531\n",
      "RDKit ERROR: [13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:26] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:26] Unexpected error hit on line 43999899\n",
      "RDKit ERROR: [13:58:26] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:26] Unexpected error hit on line 43999899\n",
      "RDKit ERROR: [13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:27] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:27] Unexpected error hit on line 44004889\n",
      "[13:58:26] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:27] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:27] Unexpected error hit on line 44004889\n",
      "RDKit ERROR: [13:58:27] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:27] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:27] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:27] Unexpected error hit on line 44029171\n",
      "RDKit ERROR: [13:58:27] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:27] Unexpected error hit on line 44029171\n",
      "RDKit ERROR: [13:58:27] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:27] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:28] Unexpected error hit on line 44065805\n",
      "RDKit ERROR: [13:58:28] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:28] Unexpected error hit on line 44065805\n",
      "RDKit ERROR: [13:58:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:28] Unexpected error hit on line 44089726\n",
      "RDKit ERROR: [13:58:28] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:28] Unexpected error hit on line 44089726\n",
      "RDKit ERROR: [13:58:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:28] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:28] Unexpected error hit on line 44092947\n",
      "RDKit ERROR: [13:58:28] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:28] Unexpected error hit on line 44092947\n",
      "RDKit ERROR: [13:58:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:28] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:29] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:29] Unexpected error hit on line 44127150\n",
      "RDKit ERROR: [13:58:29] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:29] Unexpected error hit on line 44127150\n",
      "RDKit ERROR: [13:58:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:29] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:29] Unexpected error hit on line 44133012\n",
      "RDKit ERROR: [13:58:29] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:29] Unexpected error hit on line 44133012\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:58:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:29] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:29] Unexpected error hit on line 44158464\n",
      "RDKit ERROR: [13:58:29] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:29] Unexpected error hit on line 44158464\n",
      "RDKit ERROR: [13:58:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:29] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:32] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:32] Unexpected error hit on line 44306956\n",
      "RDKit ERROR: [13:58:32] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:32] Unexpected error hit on line 44306956\n",
      "RDKit ERROR: [13:58:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:32] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:32] Unexpected error hit on line 44312209\n",
      "RDKit ERROR: [13:58:32] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:32] Unexpected error hit on line 44312209\n",
      "RDKit ERROR: [13:58:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:32] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:32] Explicit valence for atom # 0 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:58:32] Explicit valence for atom # 0 O, 3, is greater than permitted\n",
      "RDKit ERROR: [13:58:32] ERROR: Could not sanitize molecule ending on line 44365455\n",
      "[13:58:32] ERROR: Could not sanitize molecule ending on line 44365455\n",
      "RDKit ERROR: [13:58:32] ERROR: Explicit valence for atom # 0 O, 3, is greater than permitted\n",
      "[13:58:32] ERROR: Explicit valence for atom # 0 O, 3, is greater than permitted\n",
      "[13:58:37] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:37] Unexpected error hit on line 44653378\n",
      "RDKit ERROR: [13:58:37] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:37] Unexpected error hit on line 44653378\n",
      "RDKit ERROR: [13:58:37] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:37] \n",
      "[13:58:37] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:37] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:37] Unexpected error hit on line 44656000\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:37] Unexpected error hit on line 44656000\n",
      "RDKit ERROR: [13:58:37] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:37] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:38] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:38] Unexpected error hit on line 44694493\n",
      "RDKit ERROR: [13:58:38] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:38] Unexpected error hit on line 44694493\n",
      "RDKit ERROR: [13:58:38] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:38] \n",
      "[13:58:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:38] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:38] Unexpected error hit on line 44697502\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:38] Unexpected error hit on line 44697502\n",
      "RDKit ERROR: [13:58:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:38] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:39] Unexpected error hit on line 44756703\n",
      "RDKit ERROR: [13:58:39] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:39] Unexpected error hit on line 44756703\n",
      "RDKit ERROR: [13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:39] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:39] Unexpected error hit on line 44757787\n",
      "[13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:39] Unexpected error hit on line 44757787\n",
      "RDKit ERROR: [13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:39] Unexpected error hit on line 44763285\n",
      "RDKit ERROR: [13:58:39] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:39] Unexpected error hit on line 44763285\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:39] Unexpected error hit on line 44775632\n",
      "RDKit ERROR: [13:58:39] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:39] Unexpected error hit on line 44775632\n",
      "RDKit ERROR: [13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:39] Unexpected error hit on line 44791236\n",
      "RDKit ERROR: [13:58:39] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:39] Unexpected error hit on line 44791236\n",
      "RDKit ERROR: [13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:39] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:40] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:40] Unexpected error hit on line 44824730\n",
      "RDKit ERROR: [13:58:40] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:40] Unexpected error hit on line 44824730\n",
      "RDKit ERROR: [13:58:40] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:40] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:41] Unexpected error hit on line 44873524\n",
      "RDKit ERROR: [13:58:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:41] Unexpected error hit on line 44873524\n",
      "RDKit ERROR: [13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:41] Unexpected error hit on line 44876430\n",
      "[13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:41] Unexpected error hit on line 44876430\n",
      "RDKit ERROR: [13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:41] Unexpected error hit on line 44884373\n",
      "[13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:41] Unexpected error hit on line 44884373\n",
      "RDKit ERROR: [13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:41] Unexpected error hit on line 44886709\n",
      "RDKit ERROR: [13:58:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:41] Unexpected error hit on line 44886709\n",
      "RDKit ERROR: [13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:41] Unexpected error hit on line 44892543\n",
      "RDKit ERROR: [13:58:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:41] Unexpected error hit on line 44892543\n",
      "RDKit ERROR: [13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:41] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:41] Unexpected error hit on line 44893102\n",
      "[13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:41] Unexpected error hit on line 44893102\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:41] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:48] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:48] Unexpected error hit on line 45295797\n",
      "RDKit ERROR: [13:58:48] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:48] Unexpected error hit on line 45295797\n",
      "RDKit ERROR: [13:58:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:49] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:49] Unexpected error hit on line 45367854\n",
      "RDKit ERROR: [13:58:49] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:49] Unexpected error hit on line 45367854\n",
      "RDKit ERROR: [13:58:49] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:49] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:51] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:51] Unexpected error hit on line 45487298\n",
      "RDKit ERROR: [13:58:51] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:51] Unexpected error hit on line 45487298\n",
      "RDKit ERROR: [13:58:51] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:51] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:52] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:52] Unexpected error hit on line 45543445\n",
      "RDKit ERROR: [13:58:52] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:52] Unexpected error hit on line 45543445\n",
      "RDKit ERROR: [13:58:52] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:52] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:52] Unexpected error hit on line 45545659\n",
      "[13:58:52] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:52] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:52] Unexpected error hit on line 45545659\n",
      "RDKit ERROR: [13:58:52] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:52] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:52] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:52] Unexpected error hit on line 45560832\n",
      "RDKit ERROR: [13:58:52] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:52] Unexpected error hit on line 45560832\n",
      "RDKit ERROR: [13:58:52] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:53] \n",
      "RDKit ERROR: \n",
      "[13:58:52] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:53] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:53] Unexpected error hit on line 45616262\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:53] Unexpected error hit on line 45616262\n",
      "RDKit ERROR: [13:58:53] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:53] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:53] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:53] Unexpected error hit on line 45657086\n",
      "RDKit ERROR: [13:58:53] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:53] Unexpected error hit on line 45657086\n",
      "RDKit ERROR: [13:58:53] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [13:58:54] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:54] Unexpected error hit on line 45672536\n",
      "[13:58:53] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:54] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:54] Unexpected error hit on line 45672536\n",
      "RDKit ERROR: [13:58:54] ERROR: moving to the beginning of the next molecule\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[13:58:54] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:54] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:54] Unexpected error hit on line 45715317\n",
      "RDKit ERROR: [13:58:54] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:54] Unexpected error hit on line 45715317\n",
      "RDKit ERROR: [13:58:54] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:54] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:59] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:58:59] Unexpected error hit on line 45998513\n",
      "RDKit ERROR: [13:58:59] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:58:59] Unexpected error hit on line 45998513\n",
      "RDKit ERROR: [13:58:59] ERROR: moving to the beginning of the next molecule\n",
      "[13:58:59] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:01] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:01] Unexpected error hit on line 46152734\n",
      "RDKit ERROR: [13:59:01] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:01] Unexpected error hit on line 46152734\n",
      "RDKit ERROR: [13:59:01] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:01] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:03] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:59:03] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:59:03] ERROR: Could not sanitize molecule ending on line 46261277\n",
      "[13:59:03] ERROR: Could not sanitize molecule ending on line 46261277\n",
      "RDKit ERROR: [13:59:03] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [13:59:05] Explicit valence for atom # 2 C, 5, is greater than permitted\n",
      "RDKit ERROR: [13:59:05] ERROR: Could not sanitize molecule ending on line 46351737\n",
      "[13:59:03] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[13:59:05] Explicit valence for atom # 2 C, 5, is greater than permitted\n",
      "[13:59:05] ERROR: Could not sanitize molecule ending on line 46351737\n",
      "RDKit ERROR: [13:59:05] ERROR: Explicit valence for atom # 2 C, 5, is greater than permitted\n",
      "[13:59:05] ERROR: Explicit valence for atom # 2 C, 5, is greater than permitted\n",
      "[13:59:08] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:08] Unexpected error hit on line 46559900\n",
      "RDKit ERROR: [13:59:08] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:08] Unexpected error hit on line 46559900\n",
      "RDKit ERROR: [13:59:08] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:08] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:12] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:12] Unexpected error hit on line 46800511\n",
      "RDKit ERROR: [13:59:12] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:12] Unexpected error hit on line 46800511\n",
      "RDKit ERROR: [13:59:12] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:12] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:25] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:25] Unexpected error hit on line 47635747\n",
      "RDKit ERROR: [13:59:25] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:25] Unexpected error hit on line 47635747\n",
      "RDKit ERROR: [13:59:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:25] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:27] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:27] Unexpected error hit on line 47770219\n",
      "RDKit ERROR: [13:59:27] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:27] Unexpected error hit on line 47770219\n",
      "RDKit ERROR: [13:59:27] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:27] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:37] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:37] Unexpected error hit on line 48375165\n",
      "RDKit ERROR: [13:59:37] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:37] Unexpected error hit on line 48375165\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [13:59:37] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:37] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:48] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[13:59:48] Unexpected error hit on line 49028996\n",
      "RDKit ERROR: [13:59:48] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [13:59:48] Unexpected error hit on line 49028996\n",
      "RDKit ERROR: [13:59:48] ERROR: moving to the beginning of the next molecule\n",
      "[13:59:48] ERROR: moving to the beginning of the next molecule\n",
      "[14:00:14] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:14] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:14] ERROR: Could not sanitize molecule ending on line 50703650\n",
      "[14:00:14] ERROR: Could not sanitize molecule ending on line 50703650\n",
      "RDKit ERROR: [14:00:14] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:00:14] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:00:14] Explicit valence for atom # 21 B, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:14] Explicit valence for atom # 21 B, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:14] ERROR: Could not sanitize molecule ending on line 50755000\n",
      "[14:00:14] ERROR: Could not sanitize molecule ending on line 50755000\n",
      "RDKit ERROR: [14:00:14] ERROR: Explicit valence for atom # 21 B, 4, is greater than permitted\n",
      "[14:00:14] ERROR: Explicit valence for atom # 21 B, 4, is greater than permitted\n",
      "[14:00:20] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:20] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:20] ERROR: Could not sanitize molecule ending on line 51163939\n",
      "[14:00:20] ERROR: Could not sanitize molecule ending on line 51163939\n",
      "RDKit ERROR: [14:00:20] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:00:20] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:00:21] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:21] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:21] ERROR: Could not sanitize molecule ending on line 51231263\n",
      "[14:00:21] ERROR: Could not sanitize molecule ending on line 51231263\n",
      "RDKit ERROR: [14:00:21] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:00:21] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:00:22] Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:00:22] Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:00:22] ERROR: Could not sanitize molecule ending on line 51332075\n",
      "[14:00:22] ERROR: Could not sanitize molecule ending on line 51332075\n",
      "RDKit ERROR: [14:00:22] ERROR: Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "[14:00:22] ERROR: Explicit valence for atom # 20 O, 3, is greater than permitted\n",
      "[14:00:24] Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:00:24] Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:00:24] ERROR: Could not sanitize molecule ending on line 51421098\n",
      "[14:00:24] ERROR: Could not sanitize molecule ending on line 51421098\n",
      "RDKit ERROR: [14:00:24] ERROR: Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "[14:00:24] ERROR: Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "[14:00:26] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:26] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:26] ERROR: Could not sanitize molecule ending on line 51564549\n",
      "[14:00:26] ERROR: Could not sanitize molecule ending on line 51564549\n",
      "RDKit ERROR: [14:00:26] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:00:26] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:00:30] Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:00:30] Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:00:30] ERROR: Could not sanitize molecule ending on line 51694178\n",
      "[14:00:30] ERROR: Could not sanitize molecule ending on line 51694178\n",
      "RDKit ERROR: [14:00:30] ERROR: Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "[14:00:30] ERROR: Explicit valence for atom # 16 O, 3, is greater than permitted\n",
      "[14:00:45] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:00:45] Unexpected error hit on line 52730738\n",
      "RDKit ERROR: [14:00:45] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:00:45] Unexpected error hit on line 52730738\n",
      "RDKit ERROR: [14:00:45] ERROR: moving to the beginning of the next molecule\n",
      "[14:00:45] ERROR: moving to the beginning of the next molecule\n",
      "[14:00:49] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:49] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:49] ERROR: Could not sanitize molecule ending on line 52949610\n",
      "[14:00:49] ERROR: Could not sanitize molecule ending on line 52949610\n",
      "RDKit ERROR: [14:00:49] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:49] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:49] ERROR: Could not sanitize molecule ending on line 52968209\n",
      "[14:00:49] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:00:49] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:49] ERROR: Could not sanitize molecule ending on line 52968209\n",
      "RDKit ERROR: [14:00:49] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:49] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:49] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:49] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:49] ERROR: Could not sanitize molecule ending on line 52996991\n",
      "[14:00:49] ERROR: Could not sanitize molecule ending on line 52996991\n",
      "RDKit ERROR: [14:00:49] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:49] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:50] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:50] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:50] ERROR: Could not sanitize molecule ending on line 53045286\n",
      "[14:00:50] ERROR: Could not sanitize molecule ending on line 53045286\n",
      "RDKit ERROR: [14:00:50] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:00:50] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:00:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] ERROR: Could not sanitize molecule ending on line 53091456\n",
      "RDKit ERROR: [14:00:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] ERROR: Could not sanitize molecule ending on line 53092013\n",
      "[14:00:51] ERROR: Could not sanitize molecule ending on line 53091456\n",
      "[14:00:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:00:51] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:51] ERROR: Could not sanitize molecule ending on line 53092013\n",
      "RDKit ERROR: [14:00:51] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] ERROR: Could not sanitize molecule ending on line 53106128\n",
      "[14:00:51] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:51] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:51] ERROR: Could not sanitize molecule ending on line 53106128\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:00:51] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] ERROR: Could not sanitize molecule ending on line 53121680\n",
      "[14:00:51] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:51] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:00:51] ERROR: Could not sanitize molecule ending on line 53121680\n",
      "RDKit ERROR: [14:00:51] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:51] ERROR: Could not sanitize molecule ending on line 53122357\n",
      "[14:00:51] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:00:51] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:00:51] ERROR: Could not sanitize molecule ending on line 53122357\n",
      "RDKit ERROR: [14:00:51] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:00:51] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:00:52] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:52] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:52] ERROR: Could not sanitize molecule ending on line 53141619\n",
      "[14:00:52] ERROR: Could not sanitize molecule ending on line 53141619\n",
      "RDKit ERROR: [14:00:52] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:00:52] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:00:52] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:52] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:52] ERROR: Could not sanitize molecule ending on line 53187036\n",
      "[14:00:52] ERROR: Could not sanitize molecule ending on line 53187036\n",
      "RDKit ERROR: [14:00:52] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:00:52] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:00:52] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:52] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:52] ERROR: Could not sanitize molecule ending on line 53196475\n",
      "[14:00:52] ERROR: Could not sanitize molecule ending on line 53196475\n",
      "RDKit ERROR: [14:00:52] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:00:52] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:00:53] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] ERROR: Could not sanitize molecule ending on line 53225168\n",
      "[14:00:53] ERROR: Could not sanitize molecule ending on line 53225168\n",
      "RDKit ERROR: [14:00:53] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:00:53] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:00:53] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] ERROR: Could not sanitize molecule ending on line 53232696\n",
      "[14:00:53] ERROR: Could not sanitize molecule ending on line 53232696\n",
      "RDKit ERROR: [14:00:53] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:00:53] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:00:53] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] ERROR: Could not sanitize molecule ending on line 53245718\n",
      "[14:00:53] ERROR: Could not sanitize molecule ending on line 53245718\n",
      "RDKit ERROR: [14:00:53] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:53] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:00:53] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:53] ERROR: Could not sanitize molecule ending on line 53251744\n",
      "[14:00:53] ERROR: Could not sanitize molecule ending on line 53251744\n",
      "RDKit ERROR: [14:00:53] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:00:53] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:00:54] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:54] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:54] ERROR: Could not sanitize molecule ending on line 53271914\n",
      "[14:00:54] ERROR: Could not sanitize molecule ending on line 53271914\n",
      "RDKit ERROR: [14:00:54] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:54] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:54] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:54] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:54] ERROR: Could not sanitize molecule ending on line 53287673\n",
      "[14:00:54] ERROR: Could not sanitize molecule ending on line 53287673\n",
      "RDKit ERROR: [14:00:54] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:00:54] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:00:55] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] ERROR: Could not sanitize molecule ending on line 53343132\n",
      "[14:00:55] ERROR: Could not sanitize molecule ending on line 53343132\n",
      "RDKit ERROR: [14:00:55] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:00:55] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:00:55] Explicit valence for atom # 29 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] Explicit valence for atom # 29 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] ERROR: Could not sanitize molecule ending on line 53381831\n",
      "[14:00:55] ERROR: Could not sanitize molecule ending on line 53381831\n",
      "RDKit ERROR: [14:00:55] ERROR: Explicit valence for atom # 29 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:55] ERROR: Explicit valence for atom # 29 N, 4, is greater than permitted\n",
      "[14:00:55] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] ERROR: Could not sanitize molecule ending on line 53382490\n",
      "[14:00:55] ERROR: Could not sanitize molecule ending on line 53382490\n",
      "RDKit ERROR: [14:00:55] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:55] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:55] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:55] ERROR: Could not sanitize molecule ending on line 53390548\n",
      "[14:00:55] ERROR: Could not sanitize molecule ending on line 53390548\n",
      "RDKit ERROR: [14:00:55] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:00:55] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:00:56] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:56] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:56] ERROR: Could not sanitize molecule ending on line 53422389\n",
      "[14:00:56] ERROR: Could not sanitize molecule ending on line 53422389\n",
      "RDKit ERROR: [14:00:56] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:00:56] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:00:56] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:56] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:56] ERROR: Could not sanitize molecule ending on line 53444275\n",
      "[14:00:56] ERROR: Could not sanitize molecule ending on line 53444275\n",
      "RDKit ERROR: [14:00:56] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:56] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:56] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:56] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:56] ERROR: Could not sanitize molecule ending on line 53450647\n",
      "[14:00:56] ERROR: Could not sanitize molecule ending on line 53450647\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:00:56] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:00:56] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:00:57] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:57] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:57] ERROR: Could not sanitize molecule ending on line 53475405\n",
      "[14:00:57] ERROR: Could not sanitize molecule ending on line 53475405\n",
      "RDKit ERROR: [14:00:57] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:00:57] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:00:57] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:57] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:57] ERROR: Could not sanitize molecule ending on line 53481129\n",
      "[14:00:57] ERROR: Could not sanitize molecule ending on line 53481129\n",
      "RDKit ERROR: [14:00:57] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:57] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:00:58] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:58] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:58] ERROR: Could not sanitize molecule ending on line 53531159\n",
      "[14:00:58] ERROR: Could not sanitize molecule ending on line 53531159\n",
      "RDKit ERROR: [14:00:58] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:58] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:58] ERROR: Could not sanitize molecule ending on line 53552467\n",
      "[14:00:58] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:00:58] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:58] ERROR: Could not sanitize molecule ending on line 53552467\n",
      "RDKit ERROR: [14:00:58] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:58] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:00:59] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] ERROR: Could not sanitize molecule ending on line 53594187\n",
      "[14:00:59] ERROR: Could not sanitize molecule ending on line 53594187\n",
      "RDKit ERROR: [14:00:59] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:00:59] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:00:59] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] ERROR: Could not sanitize molecule ending on line 53606452\n",
      "[14:00:59] ERROR: Could not sanitize molecule ending on line 53606452\n",
      "RDKit ERROR: [14:00:59] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:00:59] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:00:59] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] ERROR: Could not sanitize molecule ending on line 53650874\n",
      "[14:00:59] ERROR: Could not sanitize molecule ending on line 53650874\n",
      "RDKit ERROR: [14:00:59] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[14:00:59] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted\n",
      "[14:00:59] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:00:59] ERROR: Could not sanitize molecule ending on line 53655181\n",
      "[14:00:59] ERROR: Could not sanitize molecule ending on line 53655181\n",
      "RDKit ERROR: [14:00:59] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:00:59] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:01:00] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:00] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:00] ERROR: Could not sanitize molecule ending on line 53661719\n",
      "[14:01:00] ERROR: Could not sanitize molecule ending on line 53661719\n",
      "RDKit ERROR: [14:01:00] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:00] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:00] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:00] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:00] ERROR: Could not sanitize molecule ending on line 53678388\n",
      "[14:01:00] ERROR: Could not sanitize molecule ending on line 53678388\n",
      "RDKit ERROR: [14:01:00] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:00] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:00] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:00] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:00] ERROR: Could not sanitize molecule ending on line 53693251\n",
      "[14:01:00] ERROR: Could not sanitize molecule ending on line 53693251\n",
      "RDKit ERROR: [14:01:00] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:00] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:01] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:01] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:01] ERROR: Could not sanitize molecule ending on line 53721769\n",
      "[14:01:01] ERROR: Could not sanitize molecule ending on line 53721769\n",
      "RDKit ERROR: [14:01:01] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:01] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:02] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:02] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:02] ERROR: Could not sanitize molecule ending on line 53806438\n",
      "[14:01:02] ERROR: Could not sanitize molecule ending on line 53806438\n",
      "RDKit ERROR: [14:01:02] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:02] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:03] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:03] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:03] ERROR: Could not sanitize molecule ending on line 53851738\n",
      "[14:01:03] ERROR: Could not sanitize molecule ending on line 53851738\n",
      "RDKit ERROR: [14:01:03] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:03] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:03] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:03] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:03] ERROR: Could not sanitize molecule ending on line 53885340\n",
      "[14:01:03] ERROR: Could not sanitize molecule ending on line 53885340\n",
      "RDKit ERROR: [14:01:03] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:03] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:04] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:04] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:04] ERROR: Could not sanitize molecule ending on line 53914551\n",
      "[14:01:04] ERROR: Could not sanitize molecule ending on line 53914551\n",
      "RDKit ERROR: [14:01:04] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:04] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:04] Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:04] Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:04] ERROR: Could not sanitize molecule ending on line 53948890\n",
      "[14:01:04] ERROR: Could not sanitize molecule ending on line 53948890\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:04] ERROR: Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "[14:01:04] ERROR: Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "[14:01:05] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:05] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:05] ERROR: Could not sanitize molecule ending on line 53994033\n",
      "[14:01:05] ERROR: Could not sanitize molecule ending on line 53994033\n",
      "RDKit ERROR: [14:01:05] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:05] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:05] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:05] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:05] ERROR: Could not sanitize molecule ending on line 54021123\n",
      "[14:01:05] ERROR: Could not sanitize molecule ending on line 54021123\n",
      "RDKit ERROR: [14:01:05] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:05] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:06] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:01:06] Unexpected error hit on line 54086005\n",
      "RDKit ERROR: [14:01:06] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:01:06] Unexpected error hit on line 54086005\n",
      "RDKit ERROR: [14:01:06] ERROR: moving to the beginning of the next molecule\n",
      "RDKit ERROR: [14:01:06] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:06] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:06] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:06] ERROR: Could not sanitize molecule ending on line 54109921\n",
      "RDKit ERROR: [14:01:06] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:06] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:06] ERROR: Could not sanitize molecule ending on line 54111122\n",
      "[14:01:06] ERROR: Could not sanitize molecule ending on line 54109921\n",
      "[14:01:06] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:06] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:06] ERROR: Could not sanitize molecule ending on line 54111122\n",
      "RDKit ERROR: [14:01:06] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:06] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:07] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:07] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:07] ERROR: Could not sanitize molecule ending on line 54146736\n",
      "[14:01:07] ERROR: Could not sanitize molecule ending on line 54146736\n",
      "RDKit ERROR: [14:01:07] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:07] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:08] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] ERROR: Could not sanitize molecule ending on line 54187934\n",
      "[14:01:08] ERROR: Could not sanitize molecule ending on line 54187934\n",
      "RDKit ERROR: [14:01:08] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:08] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:08] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] ERROR: Could not sanitize molecule ending on line 54228412\n",
      "RDKit ERROR: [14:01:08] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:08] ERROR: Could not sanitize molecule ending on line 54228412\n",
      "[14:01:08] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:08] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] ERROR: Could not sanitize molecule ending on line 54228800\n",
      "[14:01:08] ERROR: Could not sanitize molecule ending on line 54228800\n",
      "RDKit ERROR: [14:01:08] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] Explicit valence for atom # 6 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:01:08] ERROR: Could not sanitize molecule ending on line 54237762\n",
      "[14:01:08] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:08] Explicit valence for atom # 6 O, 3, is greater than permitted\n",
      "[14:01:08] ERROR: Could not sanitize molecule ending on line 54237762\n",
      "RDKit ERROR: [14:01:08] ERROR: Explicit valence for atom # 6 O, 3, is greater than permitted\n",
      "[14:01:08] ERROR: Explicit valence for atom # 6 O, 3, is greater than permitted\n",
      "[14:01:09] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:09] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:09] ERROR: Could not sanitize molecule ending on line 54265311\n",
      "[14:01:09] ERROR: Could not sanitize molecule ending on line 54265311\n",
      "RDKit ERROR: [14:01:09] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:09] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:09] Explicit valence for atom # 39 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:09] Explicit valence for atom # 39 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:09] ERROR: Could not sanitize molecule ending on line 54268910\n",
      "[14:01:09] ERROR: Could not sanitize molecule ending on line 54268910\n",
      "RDKit ERROR: [14:01:09] ERROR: Explicit valence for atom # 39 N, 4, is greater than permitted\n",
      "[14:01:09] ERROR: Explicit valence for atom # 39 N, 4, is greater than permitted\n",
      "[14:01:09] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:09] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:09] ERROR: Could not sanitize molecule ending on line 54297940\n",
      "[14:01:09] ERROR: Could not sanitize molecule ending on line 54297940\n",
      "RDKit ERROR: [14:01:09] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:09] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:10] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] ERROR: Could not sanitize molecule ending on line 54331141\n",
      "[14:01:10] ERROR: Could not sanitize molecule ending on line 54331141\n",
      "RDKit ERROR: [14:01:10] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:10] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:10] Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] ERROR: Could not sanitize molecule ending on line 54335292\n",
      "[14:01:10] ERROR: Could not sanitize molecule ending on line 54335292\n",
      "RDKit ERROR: [14:01:10] ERROR: Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "[14:01:10] ERROR: Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "[14:01:10] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] ERROR: Could not sanitize molecule ending on line 54343755\n",
      "[14:01:10] ERROR: Could not sanitize molecule ending on line 54343755\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:10] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:10] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:10] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:10] ERROR: Could not sanitize molecule ending on line 54352232\n",
      "[14:01:10] ERROR: Could not sanitize molecule ending on line 54352232\n",
      "RDKit ERROR: [14:01:10] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] ERROR: Could not sanitize molecule ending on line 54392943\n",
      "[14:01:10] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:11] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:11] ERROR: Could not sanitize molecule ending on line 54392943\n",
      "RDKit ERROR: [14:01:11] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:11] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:11] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] ERROR: Could not sanitize molecule ending on line 54421491\n",
      "[14:01:11] ERROR: Could not sanitize molecule ending on line 54421491\n",
      "RDKit ERROR: [14:01:11] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:11] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:11] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] ERROR: Could not sanitize molecule ending on line 54436025\n",
      "[14:01:11] ERROR: Could not sanitize molecule ending on line 54436025\n",
      "RDKit ERROR: [14:01:11] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:11] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:11] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:11] ERROR: Could not sanitize molecule ending on line 54444054\n",
      "[14:01:11] ERROR: Could not sanitize molecule ending on line 54444054\n",
      "RDKit ERROR: [14:01:11] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:11] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:12] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:12] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:12] ERROR: Could not sanitize molecule ending on line 54458131\n",
      "[14:01:12] ERROR: Could not sanitize molecule ending on line 54458131\n",
      "RDKit ERROR: [14:01:12] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:12] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:12] ERROR: Could not sanitize molecule ending on line 54468272\n",
      "[14:01:12] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:01:12] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:12] ERROR: Could not sanitize molecule ending on line 54468272\n",
      "RDKit ERROR: [14:01:12] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:12] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:12] Explicit valence for atom # 16 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:12] Explicit valence for atom # 16 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:12] ERROR: Could not sanitize molecule ending on line 54508135\n",
      "[14:01:12] ERROR: Could not sanitize molecule ending on line 54508135\n",
      "RDKit ERROR: [14:01:12] ERROR: Explicit valence for atom # 16 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:12] ERROR: Explicit valence for atom # 16 N, 4, is greater than permitted\n",
      "[14:01:13] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] ERROR: Could not sanitize molecule ending on line 54538087\n",
      "[14:01:13] ERROR: Could not sanitize molecule ending on line 54538087\n",
      "RDKit ERROR: [14:01:13] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:13] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:13] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] ERROR: Could not sanitize molecule ending on line 54550665\n",
      "[14:01:13] ERROR: Could not sanitize molecule ending on line 54550665\n",
      "RDKit ERROR: [14:01:13] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:13] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:13] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] ERROR: Could not sanitize molecule ending on line 54558896\n",
      "[14:01:13] ERROR: Could not sanitize molecule ending on line 54558896\n",
      "RDKit ERROR: [14:01:13] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:01:13] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:01:13] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:13] ERROR: Could not sanitize molecule ending on line 54569769\n",
      "[14:01:13] ERROR: Could not sanitize molecule ending on line 54569769\n",
      "RDKit ERROR: [14:01:13] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:14] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:14] ERROR: Could not sanitize molecule ending on line 54584655\n",
      "[14:01:13] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:14] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:14] ERROR: Could not sanitize molecule ending on line 54584655\n",
      "RDKit ERROR: [14:01:14] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:14] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:14] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:14] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:14] ERROR: Could not sanitize molecule ending on line 54598392\n",
      "[14:01:14] ERROR: Could not sanitize molecule ending on line 54598392\n",
      "RDKit ERROR: [14:01:14] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:14] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:15] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:15] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:15] ERROR: Could not sanitize molecule ending on line 54702714\n",
      "[14:01:15] ERROR: Could not sanitize molecule ending on line 54702714\n",
      "RDKit ERROR: [14:01:15] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:15] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:15] ERROR: Could not sanitize molecule ending on line 54705176\n",
      "[14:01:15] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:15] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:15] ERROR: Could not sanitize molecule ending on line 54705176\n",
      "RDKit ERROR: [14:01:15] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Could not sanitize molecule ending on line 54717547\n",
      "[14:01:15] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:16] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:01:16] ERROR: Could not sanitize molecule ending on line 54717547\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:16] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:01:16] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:01:16] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Could not sanitize molecule ending on line 54746806\n",
      "[14:01:16] ERROR: Could not sanitize molecule ending on line 54746806\n",
      "RDKit ERROR: [14:01:16] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:16] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:16] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Could not sanitize molecule ending on line 54766602\n",
      "RDKit ERROR: [14:01:16] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Could not sanitize molecule ending on line 54769327\n",
      "[14:01:16] ERROR: Could not sanitize molecule ending on line 54766602\n",
      "[14:01:16] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:01:16] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:16] ERROR: Could not sanitize molecule ending on line 54769327\n",
      "RDKit ERROR: [14:01:16] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Could not sanitize molecule ending on line 54772715\n",
      "[14:01:16] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:16] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:16] ERROR: Could not sanitize molecule ending on line 54774887\n",
      "[14:01:16] ERROR: Could not sanitize molecule ending on line 54772715\n",
      "[14:01:16] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:16] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:16] ERROR: Could not sanitize molecule ending on line 54774887\n",
      "RDKit ERROR: [14:01:16] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:16] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:17] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:17] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:17] ERROR: Could not sanitize molecule ending on line 54832631\n",
      "[14:01:17] ERROR: Could not sanitize molecule ending on line 54832631\n",
      "RDKit ERROR: [14:01:17] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:18] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:18] ERROR: Could not sanitize molecule ending on line 54857110\n",
      "[14:01:17] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:18] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:18] ERROR: Could not sanitize molecule ending on line 54857110\n",
      "RDKit ERROR: [14:01:18] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:18] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:19] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] ERROR: Could not sanitize molecule ending on line 54921557\n",
      "[14:01:19] ERROR: Could not sanitize molecule ending on line 54921557\n",
      "RDKit ERROR: [14:01:19] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:19] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:19] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] ERROR: Could not sanitize molecule ending on line 54932888\n",
      "[14:01:19] ERROR: Could not sanitize molecule ending on line 54932888\n",
      "RDKit ERROR: [14:01:19] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[14:01:19] ERROR: Explicit valence for atom # 19 H, 2, is greater than permitted\n",
      "[14:01:19] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] ERROR: Could not sanitize molecule ending on line 54936221\n",
      "[14:01:19] ERROR: Could not sanitize molecule ending on line 54936221\n",
      "RDKit ERROR: [14:01:19] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:19] ERROR: Could not sanitize molecule ending on line 54961246\n",
      "[14:01:19] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:19] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:19] ERROR: Could not sanitize molecule ending on line 54961246\n",
      "RDKit ERROR: [14:01:19] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:19] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:20] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:20] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:20] ERROR: Could not sanitize molecule ending on line 55042624\n",
      "[14:01:20] ERROR: Could not sanitize molecule ending on line 55042624\n",
      "RDKit ERROR: [14:01:20] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] ERROR: Could not sanitize molecule ending on line 55055527\n",
      "[14:01:20] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:21] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:21] ERROR: Could not sanitize molecule ending on line 55055527\n",
      "RDKit ERROR: [14:01:21] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:21] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:01:21] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] ERROR: Could not sanitize molecule ending on line 55064227\n",
      "RDKit ERROR: [14:01:21] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:21] ERROR: Could not sanitize molecule ending on line 55064227\n",
      "[14:01:21] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:21] Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] ERROR: Could not sanitize molecule ending on line 55068991\n",
      "[14:01:21] ERROR: Could not sanitize molecule ending on line 55068991\n",
      "RDKit ERROR: [14:01:21] ERROR: Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [14:01:21] ERROR: Could not sanitize molecule ending on line 55112528\n",
      "[14:01:21] ERROR: Explicit valence for atom # 18 H, 2, is greater than permitted\n",
      "[14:01:21] Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[14:01:21] ERROR: Could not sanitize molecule ending on line 55112528\n",
      "RDKit ERROR: [14:01:21] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "RDKit ERROR: [14:01:22] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:22] ERROR: Could not sanitize molecule ending on line 55167600\n",
      "[14:01:21] ERROR: Explicit valence for atom # 1 S, 8, is greater than permitted\n",
      "[14:01:22] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:22] ERROR: Could not sanitize molecule ending on line 55167600\n",
      "RDKit ERROR: [14:01:22] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:22] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:22] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:22] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:22] ERROR: Could not sanitize molecule ending on line 55177413\n",
      "[14:01:22] ERROR: Could not sanitize molecule ending on line 55177413\n",
      "RDKit ERROR: [14:01:22] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:23] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:23] ERROR: Could not sanitize molecule ending on line 55227559\n",
      "[14:01:22] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:23] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:23] ERROR: Could not sanitize molecule ending on line 55227559\n",
      "RDKit ERROR: [14:01:23] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:23] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:23] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:23] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:23] ERROR: Could not sanitize molecule ending on line 55245499\n",
      "RDKit ERROR: [14:01:23] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:01:23] ERROR: Could not sanitize molecule ending on line 55245499\n",
      "[14:01:23] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:01:23] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:23] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:23] ERROR: Could not sanitize molecule ending on line 55248888\n",
      "[14:01:23] ERROR: Could not sanitize molecule ending on line 55248888\n",
      "RDKit ERROR: [14:01:23] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:23] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:24] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] ERROR: Could not sanitize molecule ending on line 55267780\n",
      "[14:01:24] ERROR: Could not sanitize molecule ending on line 55267780\n",
      "RDKit ERROR: [14:01:24] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] ERROR: Could not sanitize molecule ending on line 55283461\n",
      "[14:01:24] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:24] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:24] ERROR: Could not sanitize molecule ending on line 55283461\n",
      "RDKit ERROR: [14:01:24] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:24] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:24] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] ERROR: Could not sanitize molecule ending on line 55292320\n",
      "RDKit ERROR: [14:01:24] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:24] ERROR: Could not sanitize molecule ending on line 55292320\n",
      "[14:01:24] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:24] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:24] ERROR: Could not sanitize molecule ending on line 55295751\n",
      "[14:01:24] ERROR: Could not sanitize molecule ending on line 55295751\n",
      "RDKit ERROR: [14:01:24] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:24] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:25] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:25] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:25] ERROR: Could not sanitize molecule ending on line 55334920\n",
      "[14:01:25] ERROR: Could not sanitize molecule ending on line 55334920\n",
      "RDKit ERROR: [14:01:25] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:25] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:26] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:26] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:26] ERROR: Could not sanitize molecule ending on line 55420807\n",
      "[14:01:26] ERROR: Could not sanitize molecule ending on line 55420807\n",
      "RDKit ERROR: [14:01:26] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:26] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:01:27] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:27] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:27] ERROR: Could not sanitize molecule ending on line 55469140\n",
      "[14:01:27] ERROR: Could not sanitize molecule ending on line 55469140\n",
      "RDKit ERROR: [14:01:27] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:27] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:27] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:01:27] Unexpected error hit on line 55473939\n",
      "RDKit ERROR: [14:01:27] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:01:27] Unexpected error hit on line 55473939\n",
      "RDKit ERROR: [14:01:27] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:27] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:27] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:27] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:27] ERROR: Could not sanitize molecule ending on line 55506823\n",
      "RDKit ERROR: [14:01:27] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:27] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:27] ERROR: Could not sanitize molecule ending on line 55507414\n",
      "[14:01:27] ERROR: Could not sanitize molecule ending on line 55506823\n",
      "[14:01:27] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:01:27] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:27] ERROR: Could not sanitize molecule ending on line 55507414\n",
      "RDKit ERROR: [14:01:27] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:27] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:28] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:28] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:28] ERROR: Could not sanitize molecule ending on line 55538031\n",
      "[14:01:28] ERROR: Could not sanitize molecule ending on line 55538031\n",
      "RDKit ERROR: [14:01:28] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:30] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:30] ERROR: Could not sanitize molecule ending on line 55703561\n",
      "[14:01:28] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:30] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:30] ERROR: Could not sanitize molecule ending on line 55703561\n",
      "RDKit ERROR: [14:01:30] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:30] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:30] ERROR: Could not sanitize molecule ending on line 55707226\n",
      "[14:01:30] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:30] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:30] ERROR: Could not sanitize molecule ending on line 55707226\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:30] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:30] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:31] Explicit valence for atom # 28 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:01:31] Explicit valence for atom # 28 O, 3, is greater than permitted\n",
      "RDKit ERROR: [14:01:31] ERROR: Could not sanitize molecule ending on line 55728782\n",
      "[14:01:31] ERROR: Could not sanitize molecule ending on line 55728782\n",
      "RDKit ERROR: [14:01:31] ERROR: Explicit valence for atom # 28 O, 3, is greater than permitted\n",
      "[14:01:31] ERROR: Explicit valence for atom # 28 O, 3, is greater than permitted\n",
      "[14:01:32] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:32] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:32] ERROR: Could not sanitize molecule ending on line 55780103\n",
      "[14:01:32] ERROR: Could not sanitize molecule ending on line 55780103\n",
      "RDKit ERROR: [14:01:32] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:32] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:33] Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:33] Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:33] ERROR: Could not sanitize molecule ending on line 55853308\n",
      "[14:01:33] ERROR: Could not sanitize molecule ending on line 55853308\n",
      "RDKit ERROR: [14:01:33] ERROR: Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:33] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:33] ERROR: Could not sanitize molecule ending on line 55862458\n",
      "[14:01:33] ERROR: Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "[14:01:33] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:01:33] ERROR: Could not sanitize molecule ending on line 55862458\n",
      "RDKit ERROR: [14:01:33] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:01:33] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:01:33] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:01:33] Unexpected error hit on line 55889141\n",
      "RDKit ERROR: [14:01:33] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:01:33] Unexpected error hit on line 55889141\n",
      "RDKit ERROR: [14:01:33] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:33] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:33] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:33] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:33] ERROR: Could not sanitize molecule ending on line 55908722\n",
      "[14:01:33] ERROR: Could not sanitize molecule ending on line 55908722\n",
      "RDKit ERROR: [14:01:33] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] ERROR: Could not sanitize molecule ending on line 55927060\n",
      "RDKit ERROR: [14:01:34] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:33] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:01:34] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:34] ERROR: Could not sanitize molecule ending on line 55927060\n",
      "[14:01:34] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:34] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] ERROR: Could not sanitize molecule ending on line 55931858\n",
      "[14:01:34] ERROR: Could not sanitize molecule ending on line 55931858\n",
      "RDKit ERROR: [14:01:34] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] ERROR: Could not sanitize molecule ending on line 55948702\n",
      "[14:01:34] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:34] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:34] ERROR: Could not sanitize molecule ending on line 55948702\n",
      "RDKit ERROR: [14:01:34] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:34] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:34] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] ERROR: Could not sanitize molecule ending on line 55970283\n",
      "[14:01:34] ERROR: Could not sanitize molecule ending on line 55970283\n",
      "RDKit ERROR: [14:01:34] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] ERROR: Could not sanitize molecule ending on line 55976333\n",
      "[14:01:34] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:34] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:34] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:34] ERROR: Could not sanitize molecule ending on line 55976333\n",
      "RDKit ERROR: [14:01:35] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:35] ERROR: Could not sanitize molecule ending on line 55981853\n",
      "RDKit ERROR: [14:01:35] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:34] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:35] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:35] ERROR: Could not sanitize molecule ending on line 55981853\n",
      "[14:01:35] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:01:35] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:01:35] Unexpected error hit on line 55983011\n",
      "RDKit ERROR: [14:01:35] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:01:35] Unexpected error hit on line 55983011\n",
      "RDKit ERROR: [14:01:35] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:35] ERROR: moving to the beginning of the next molecule\n",
      "[14:01:35] Explicit valence for atom # 26 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:35] Explicit valence for atom # 26 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:35] ERROR: Could not sanitize molecule ending on line 55993475\n",
      "[14:01:35] ERROR: Could not sanitize molecule ending on line 55993475\n",
      "RDKit ERROR: [14:01:35] ERROR: Explicit valence for atom # 26 N, 4, is greater than permitted\n",
      "[14:01:35] ERROR: Explicit valence for atom # 26 N, 4, is greater than permitted\n",
      "[14:01:35] Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:35] Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:35] ERROR: Could not sanitize molecule ending on line 56025465\n",
      "[14:01:35] ERROR: Could not sanitize molecule ending on line 56025465\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:35] ERROR: Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "[14:01:35] ERROR: Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "[14:01:36] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:36] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:36] ERROR: Could not sanitize molecule ending on line 56062115\n",
      "[14:01:36] ERROR: Could not sanitize molecule ending on line 56062115\n",
      "RDKit ERROR: [14:01:36] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:36] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:36] Explicit valence for atom # 34 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:36] Explicit valence for atom # 34 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:36] ERROR: Could not sanitize molecule ending on line 56085314\n",
      "[14:01:36] ERROR: Could not sanitize molecule ending on line 56085314\n",
      "RDKit ERROR: [14:01:36] ERROR: Explicit valence for atom # 34 N, 4, is greater than permitted\n",
      "[14:01:36] ERROR: Explicit valence for atom # 34 N, 4, is greater than permitted\n",
      "[14:01:37] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] ERROR: Could not sanitize molecule ending on line 56114743\n",
      "RDKit ERROR: [14:01:37] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] ERROR: Could not sanitize molecule ending on line 56116648\n",
      "RDKit ERROR: [14:01:37] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] ERROR: Could not sanitize molecule ending on line 56116807\n",
      "[14:01:37] ERROR: Could not sanitize molecule ending on line 56114743\n",
      "[14:01:37] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:37] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:37] ERROR: Could not sanitize molecule ending on line 56116648\n",
      "[14:01:37] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:37] Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "[14:01:37] ERROR: Could not sanitize molecule ending on line 56116807\n",
      "RDKit ERROR: [14:01:37] ERROR: Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] ERROR: Could not sanitize molecule ending on line 56129699\n",
      "RDKit ERROR: [14:01:37] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:37] ERROR: Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "[14:01:37] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:37] ERROR: Could not sanitize molecule ending on line 56131140\n",
      "[14:01:37] ERROR: Could not sanitize molecule ending on line 56129699\n",
      "[14:01:37] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:37] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:37] ERROR: Could not sanitize molecule ending on line 56131140\n",
      "RDKit ERROR: [14:01:37] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:38] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:38] ERROR: Could not sanitize molecule ending on line 56183960\n",
      "[14:01:37] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:38] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:01:38] ERROR: Could not sanitize molecule ending on line 56183960\n",
      "RDKit ERROR: [14:01:38] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:01:38] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:01:38] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:38] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:38] ERROR: Could not sanitize molecule ending on line 56197332\n",
      "[14:01:38] ERROR: Could not sanitize molecule ending on line 56197332\n",
      "RDKit ERROR: [14:01:38] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:38] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:38] ERROR: Could not sanitize molecule ending on line 56238941\n",
      "[14:01:38] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:38] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:38] ERROR: Could not sanitize molecule ending on line 56238941\n",
      "RDKit ERROR: [14:01:38] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:38] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:39] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:39] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:39] ERROR: Could not sanitize molecule ending on line 56260624\n",
      "[14:01:39] ERROR: Could not sanitize molecule ending on line 56260624\n",
      "RDKit ERROR: [14:01:39] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:39] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:39] ERROR: Could not sanitize molecule ending on line 56271400\n",
      "[14:01:39] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:39] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:01:39] ERROR: Could not sanitize molecule ending on line 56271400\n",
      "RDKit ERROR: [14:01:39] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:39] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:39] ERROR: Could not sanitize molecule ending on line 56300684\n",
      "[14:01:39] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:01:39] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:39] ERROR: Could not sanitize molecule ending on line 56300684\n",
      "RDKit ERROR: [14:01:39] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:39] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:40] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:40] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:40] ERROR: Could not sanitize molecule ending on line 56331124\n",
      "[14:01:40] ERROR: Could not sanitize molecule ending on line 56331124\n",
      "RDKit ERROR: [14:01:40] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:40] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:40] ERROR: Could not sanitize molecule ending on line 56340907\n",
      "[14:01:40] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:40] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[14:01:40] ERROR: Could not sanitize molecule ending on line 56340907\n",
      "RDKit ERROR: [14:01:40] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[14:01:40] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[14:01:40] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:40] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:40] ERROR: Could not sanitize molecule ending on line 56363207\n",
      "[14:01:40] ERROR: Could not sanitize molecule ending on line 56363207\n",
      "RDKit ERROR: [14:01:40] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:01:40] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:01:41] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] ERROR: Could not sanitize molecule ending on line 56397012\n",
      "[14:01:41] ERROR: Could not sanitize molecule ending on line 56397012\n",
      "RDKit ERROR: [14:01:41] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:01:41] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:01:41] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] ERROR: Could not sanitize molecule ending on line 56399080\n",
      "[14:01:41] ERROR: Could not sanitize molecule ending on line 56399080\n",
      "RDKit ERROR: [14:01:41] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:41] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:41] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] ERROR: Could not sanitize molecule ending on line 56401875\n",
      "[14:01:41] ERROR: Could not sanitize molecule ending on line 56401875\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:41] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:41] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:01:41] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:41] ERROR: Could not sanitize molecule ending on line 56424172\n",
      "[14:01:41] ERROR: Could not sanitize molecule ending on line 56424172\n",
      "RDKit ERROR: [14:01:41] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:01:41] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:01:42] Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:42] Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:42] ERROR: Could not sanitize molecule ending on line 56484378\n",
      "[14:01:42] ERROR: Could not sanitize molecule ending on line 56484378\n",
      "RDKit ERROR: [14:01:42] ERROR: Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "[14:01:42] ERROR: Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "[14:01:43] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:43] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:43] ERROR: Could not sanitize molecule ending on line 56523252\n",
      "[14:01:43] ERROR: Could not sanitize molecule ending on line 56523252\n",
      "RDKit ERROR: [14:01:43] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:43] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:43] ERROR: Could not sanitize molecule ending on line 56567659\n",
      "[14:01:43] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:43] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:43] ERROR: Could not sanitize molecule ending on line 56567659\n",
      "RDKit ERROR: [14:01:43] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:43] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:43] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:43] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:43] ERROR: Could not sanitize molecule ending on line 56569961\n",
      "[14:01:43] ERROR: Could not sanitize molecule ending on line 56569961\n",
      "RDKit ERROR: [14:01:43] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] ERROR: Could not sanitize molecule ending on line 56622842\n",
      "[14:01:43] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:44] Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "[14:01:44] ERROR: Could not sanitize molecule ending on line 56622842\n",
      "RDKit ERROR: [14:01:44] ERROR: Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] ERROR: Could not sanitize molecule ending on line 56630083\n",
      "[14:01:44] ERROR: Explicit valence for atom # 0 H, 2, is greater than permitted\n",
      "[14:01:44] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:44] ERROR: Could not sanitize molecule ending on line 56630083\n",
      "RDKit ERROR: [14:01:44] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:44] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:44] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] ERROR: Could not sanitize molecule ending on line 56649130\n",
      "RDKit ERROR: [14:01:44] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:44] ERROR: Could not sanitize molecule ending on line 56649286\n",
      "[14:01:44] ERROR: Could not sanitize molecule ending on line 56649130\n",
      "[14:01:44] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:44] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:44] ERROR: Could not sanitize molecule ending on line 56649286\n",
      "RDKit ERROR: [14:01:44] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:44] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:45] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] ERROR: Could not sanitize molecule ending on line 56665202\n",
      "[14:01:45] ERROR: Could not sanitize molecule ending on line 56665202\n",
      "RDKit ERROR: [14:01:45] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:45] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:45] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] ERROR: Could not sanitize molecule ending on line 56674743\n",
      "[14:01:45] ERROR: Could not sanitize molecule ending on line 56674743\n",
      "RDKit ERROR: [14:01:45] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:45] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:01:45] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] ERROR: Could not sanitize molecule ending on line 56677520\n",
      "[14:01:45] ERROR: Could not sanitize molecule ending on line 56677520\n",
      "RDKit ERROR: [14:01:45] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:45] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:45] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] ERROR: Could not sanitize molecule ending on line 56701408\n",
      "[14:01:45] ERROR: Could not sanitize molecule ending on line 56701408\n",
      "RDKit ERROR: [14:01:45] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:45] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:45] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] ERROR: Could not sanitize molecule ending on line 56707077\n",
      "[14:01:45] ERROR: Could not sanitize molecule ending on line 56707077\n",
      "RDKit ERROR: [14:01:45] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:45] ERROR: Could not sanitize molecule ending on line 56721195\n",
      "[14:01:45] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:45] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:45] ERROR: Could not sanitize molecule ending on line 56721195\n",
      "RDKit ERROR: [14:01:45] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:45] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:01:46] Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:46] Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:46] ERROR: Could not sanitize molecule ending on line 56727470\n",
      "[14:01:46] ERROR: Could not sanitize molecule ending on line 56727470\n",
      "RDKit ERROR: [14:01:46] ERROR: Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "[14:01:46] ERROR: Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "[14:01:47] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:47] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:01:47] ERROR: Could not sanitize molecule ending on line 56818328\n",
      "[14:01:47] ERROR: Could not sanitize molecule ending on line 56818328\n",
      "RDKit ERROR: [14:01:47] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:01:47] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:01:47] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:47] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:47] ERROR: Could not sanitize molecule ending on line 56827806\n",
      "[14:01:47] ERROR: Could not sanitize molecule ending on line 56827806\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:47] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:47] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:48] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:48] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:48] ERROR: Could not sanitize molecule ending on line 56865335\n",
      "[14:01:48] ERROR: Could not sanitize molecule ending on line 56865335\n",
      "RDKit ERROR: [14:01:48] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:48] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:49] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:49] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:49] ERROR: Could not sanitize molecule ending on line 56932333\n",
      "[14:01:49] ERROR: Could not sanitize molecule ending on line 56932333\n",
      "RDKit ERROR: [14:01:49] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:49] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:49] ERROR: Could not sanitize molecule ending on line 56977454\n",
      "[14:01:49] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[14:01:49] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:49] ERROR: Could not sanitize molecule ending on line 56977454\n",
      "RDKit ERROR: [14:01:49] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:49] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:50] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:50] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:50] ERROR: Could not sanitize molecule ending on line 56995811\n",
      "[14:01:50] ERROR: Could not sanitize molecule ending on line 56995811\n",
      "RDKit ERROR: [14:01:50] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:50] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:50] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:50] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:50] ERROR: Could not sanitize molecule ending on line 57034362\n",
      "[14:01:50] ERROR: Could not sanitize molecule ending on line 57034362\n",
      "RDKit ERROR: [14:01:50] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:50] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:50] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:50] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:50] ERROR: Could not sanitize molecule ending on line 57036010\n",
      "[14:01:50] ERROR: Could not sanitize molecule ending on line 57036010\n",
      "RDKit ERROR: [14:01:50] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:50] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] ERROR: Could not sanitize molecule ending on line 57076837\n",
      "[14:01:51] ERROR: Could not sanitize molecule ending on line 57076837\n",
      "RDKit ERROR: [14:01:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] ERROR: Could not sanitize molecule ending on line 57095711\n",
      "[14:01:51] ERROR: Could not sanitize molecule ending on line 57095711\n",
      "RDKit ERROR: [14:01:51] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] ERROR: Could not sanitize molecule ending on line 57099161\n",
      "[14:01:51] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:01:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] ERROR: Could not sanitize molecule ending on line 57099161\n",
      "RDKit ERROR: [14:01:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] ERROR: Could not sanitize molecule ending on line 57114694\n",
      "[14:01:51] ERROR: Could not sanitize molecule ending on line 57114694\n",
      "RDKit ERROR: [14:01:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:51] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:51] ERROR: Could not sanitize molecule ending on line 57120412\n",
      "[14:01:51] ERROR: Could not sanitize molecule ending on line 57120412\n",
      "RDKit ERROR: [14:01:51] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:51] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:01:52] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:52] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:52] ERROR: Could not sanitize molecule ending on line 57183874\n",
      "[14:01:52] ERROR: Could not sanitize molecule ending on line 57183874\n",
      "RDKit ERROR: [14:01:52] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:52] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:53] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:53] Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:53] ERROR: Could not sanitize molecule ending on line 57187574\n",
      "[14:01:53] ERROR: Could not sanitize molecule ending on line 57187574\n",
      "RDKit ERROR: [14:01:53] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:53] ERROR: Explicit valence for atom # 14 N, 4, is greater than permitted\n",
      "[14:01:54] Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:54] Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:54] ERROR: Could not sanitize molecule ending on line 57251754\n",
      "[14:01:54] ERROR: Could not sanitize molecule ending on line 57251754\n",
      "RDKit ERROR: [14:01:54] ERROR: Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "[14:01:54] ERROR: Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "[14:01:54] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:54] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:54] ERROR: Could not sanitize molecule ending on line 57264270\n",
      "[14:01:54] ERROR: Could not sanitize molecule ending on line 57264270\n",
      "RDKit ERROR: [14:01:54] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:54] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:54] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:54] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:54] ERROR: Could not sanitize molecule ending on line 57277109\n",
      "[14:01:54] ERROR: Could not sanitize molecule ending on line 57277109\n",
      "RDKit ERROR: [14:01:54] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:01:54] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:01:55] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:55] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:55] ERROR: Could not sanitize molecule ending on line 57316968\n",
      "[14:01:55] ERROR: Could not sanitize molecule ending on line 57316968\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:01:55] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:55] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:55] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:55] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:55] ERROR: Could not sanitize molecule ending on line 57363453\n",
      "[14:01:55] ERROR: Could not sanitize molecule ending on line 57363453\n",
      "RDKit ERROR: [14:01:55] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:55] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:55] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:55] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:55] ERROR: Could not sanitize molecule ending on line 57371344\n",
      "[14:01:55] ERROR: Could not sanitize molecule ending on line 57371344\n",
      "RDKit ERROR: [14:01:55] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:55] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:01:56] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:56] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:56] ERROR: Could not sanitize molecule ending on line 57415054\n",
      "[14:01:56] ERROR: Could not sanitize molecule ending on line 57415054\n",
      "RDKit ERROR: [14:01:56] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:56] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:01:56] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:56] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:56] ERROR: Could not sanitize molecule ending on line 57417358\n",
      "[14:01:56] ERROR: Could not sanitize molecule ending on line 57417358\n",
      "RDKit ERROR: [14:01:56] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:56] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:01:57] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:57] Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:57] ERROR: Could not sanitize molecule ending on line 57515537\n",
      "[14:01:57] ERROR: Could not sanitize molecule ending on line 57515537\n",
      "RDKit ERROR: [14:01:57] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:57] ERROR: Explicit valence for atom # 12 N, 4, is greater than permitted\n",
      "[14:01:58] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] ERROR: Could not sanitize molecule ending on line 57546210\n",
      "[14:01:58] ERROR: Could not sanitize molecule ending on line 57546210\n",
      "RDKit ERROR: [14:01:58] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] ERROR: Could not sanitize molecule ending on line 57551711\n",
      "[14:01:58] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:01:58] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:58] ERROR: Could not sanitize molecule ending on line 57551711\n",
      "RDKit ERROR: [14:01:58] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:58] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:01:58] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] ERROR: Could not sanitize molecule ending on line 57568692\n",
      "[14:01:58] ERROR: Could not sanitize molecule ending on line 57568692\n",
      "RDKit ERROR: [14:01:58] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:58] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:58] Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] ERROR: Could not sanitize molecule ending on line 57576562\n",
      "[14:01:58] ERROR: Could not sanitize molecule ending on line 57576562\n",
      "RDKit ERROR: [14:01:58] ERROR: Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:58] ERROR: Explicit valence for atom # 25 N, 4, is greater than permitted\n",
      "[14:01:58] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:58] ERROR: Could not sanitize molecule ending on line 57583043\n",
      "[14:01:58] ERROR: Could not sanitize molecule ending on line 57583043\n",
      "RDKit ERROR: [14:01:58] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:58] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:01:59] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:59] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:59] ERROR: Could not sanitize molecule ending on line 57616364\n",
      "[14:01:59] ERROR: Could not sanitize molecule ending on line 57616364\n",
      "RDKit ERROR: [14:01:59] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:59] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:59] ERROR: Could not sanitize molecule ending on line 57627780\n",
      "[14:01:59] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:59] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:59] ERROR: Could not sanitize molecule ending on line 57627780\n",
      "RDKit ERROR: [14:01:59] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:59] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:01:59] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:59] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:01:59] ERROR: Could not sanitize molecule ending on line 57647927\n",
      "[14:01:59] ERROR: Could not sanitize molecule ending on line 57647927\n",
      "RDKit ERROR: [14:01:59] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:01:59] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:02:00] Explicit valence for atom # 52 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] Explicit valence for atom # 52 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] ERROR: Could not sanitize molecule ending on line 57663671\n",
      "[14:02:00] ERROR: Could not sanitize molecule ending on line 57663671\n",
      "RDKit ERROR: [14:02:00] ERROR: Explicit valence for atom # 52 N, 4, is greater than permitted\n",
      "[14:02:00] ERROR: Explicit valence for atom # 52 N, 4, is greater than permitted\n",
      "[14:02:00] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] ERROR: Could not sanitize molecule ending on line 57681642\n",
      "[14:02:00] ERROR: Could not sanitize molecule ending on line 57681642\n",
      "RDKit ERROR: [14:02:00] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] ERROR: Could not sanitize molecule ending on line 57695293\n",
      "[14:02:00] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:00] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:02:00] ERROR: Could not sanitize molecule ending on line 57695293\n",
      "RDKit ERROR: [14:02:00] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:02:00] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:02:00] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:00] ERROR: Could not sanitize molecule ending on line 57703527\n",
      "[14:02:00] ERROR: Could not sanitize molecule ending on line 57703527\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:02:00] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:00] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:01] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] ERROR: Could not sanitize molecule ending on line 57745862\n",
      "[14:02:01] ERROR: Could not sanitize molecule ending on line 57745862\n",
      "RDKit ERROR: [14:02:01] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:02:01] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:02:01] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] ERROR: Could not sanitize molecule ending on line 57760239\n",
      "[14:02:01] ERROR: Could not sanitize molecule ending on line 57760239\n",
      "RDKit ERROR: [14:02:01] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:02:01] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:02:01] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] ERROR: Could not sanitize molecule ending on line 57766626\n",
      "[14:02:01] ERROR: Could not sanitize molecule ending on line 57766626\n",
      "RDKit ERROR: [14:02:01] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:01] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:01] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:01] ERROR: Could not sanitize molecule ending on line 57773843\n",
      "[14:02:01] ERROR: Could not sanitize molecule ending on line 57773843\n",
      "RDKit ERROR: [14:02:01] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:02:01] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:02:02] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] ERROR: Could not sanitize molecule ending on line 57779563\n",
      "[14:02:02] ERROR: Could not sanitize molecule ending on line 57779563\n",
      "RDKit ERROR: [14:02:02] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:02] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:02:02] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] ERROR: Could not sanitize molecule ending on line 57781087\n",
      "[14:02:02] ERROR: Could not sanitize molecule ending on line 57781087\n",
      "RDKit ERROR: [14:02:02] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:02] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:02] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] ERROR: Could not sanitize molecule ending on line 57825667\n",
      "[14:02:02] ERROR: Could not sanitize molecule ending on line 57825667\n",
      "RDKit ERROR: [14:02:02] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:02] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:02] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:02] ERROR: Could not sanitize molecule ending on line 57833100\n",
      "[14:02:02] ERROR: Could not sanitize molecule ending on line 57833100\n",
      "RDKit ERROR: [14:02:02] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[14:02:02] ERROR: Explicit valence for atom # 3 N, 4, is greater than permitted\n",
      "[14:02:03] Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] ERROR: Could not sanitize molecule ending on line 57865370\n",
      "[14:02:03] ERROR: Could not sanitize molecule ending on line 57865370\n",
      "RDKit ERROR: [14:02:03] ERROR: Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "[14:02:03] ERROR: Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "[14:02:03] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] ERROR: Could not sanitize molecule ending on line 57866817\n",
      "[14:02:03] ERROR: Could not sanitize molecule ending on line 57866817\n",
      "RDKit ERROR: [14:02:03] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] ERROR: Could not sanitize molecule ending on line 57880558\n",
      "[14:02:03] ERROR: Explicit valence for atom # 17 N, 4, is greater than permitted\n",
      "[14:02:03] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:03] ERROR: Could not sanitize molecule ending on line 57880558\n",
      "RDKit ERROR: [14:02:03] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:03] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:03] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] ERROR: Could not sanitize molecule ending on line 57885608\n",
      "[14:02:03] ERROR: Could not sanitize molecule ending on line 57885608\n",
      "RDKit ERROR: [14:02:03] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:02:03] ERROR: Explicit valence for atom # 24 N, 4, is greater than permitted\n",
      "[14:02:03] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:03] ERROR: Could not sanitize molecule ending on line 57891812\n",
      "[14:02:03] ERROR: Could not sanitize molecule ending on line 57891812\n",
      "RDKit ERROR: [14:02:03] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:02:03] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:02:04] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:04] Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:04] ERROR: Could not sanitize molecule ending on line 57921112\n",
      "[14:02:04] ERROR: Could not sanitize molecule ending on line 57921112\n",
      "RDKit ERROR: [14:02:04] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:02:04] ERROR: Explicit valence for atom # 13 N, 4, is greater than permitted\n",
      "[14:02:04] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:04] Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:04] ERROR: Could not sanitize molecule ending on line 57932349\n",
      "[14:02:04] ERROR: Could not sanitize molecule ending on line 57932349\n",
      "RDKit ERROR: [14:02:04] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:02:04] ERROR: Explicit valence for atom # 6 N, 4, is greater than permitted\n",
      "[14:02:04] Explicit valence for atom # 7 C, 6, is greater than permitted\n",
      "RDKit ERROR: [14:02:04] Explicit valence for atom # 7 C, 6, is greater than permitted\n",
      "RDKit ERROR: [14:02:04] ERROR: Could not sanitize molecule ending on line 57941645\n",
      "[14:02:04] ERROR: Could not sanitize molecule ending on line 57941645\n",
      "RDKit ERROR: [14:02:04] ERROR: Explicit valence for atom # 7 C, 6, is greater than permitted\n",
      "[14:02:04] ERROR: Explicit valence for atom # 7 C, 6, is greater than permitted\n",
      "[14:02:05] Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:05] Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:05] ERROR: Could not sanitize molecule ending on line 57974729\n",
      "[14:02:05] ERROR: Could not sanitize molecule ending on line 57974729\n",
      "RDKit ERROR: [14:02:05] ERROR: Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:05] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:02:05] ERROR: Explicit valence for atom # 32 N, 4, is greater than permitted\n",
      "[14:02:05] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:05] ERROR: Could not sanitize molecule ending on line 57975931\n",
      "[14:02:05] ERROR: Could not sanitize molecule ending on line 57975931\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:02:05] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:02:05] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:02:06] Explicit valence for atom # 63 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:06] Explicit valence for atom # 63 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:06] ERROR: Could not sanitize molecule ending on line 58029322\n",
      "[14:02:06] ERROR: Could not sanitize molecule ending on line 58029322\n",
      "RDKit ERROR: [14:02:06] ERROR: Explicit valence for atom # 63 N, 4, is greater than permitted\n",
      "[14:02:06] ERROR: Explicit valence for atom # 63 N, 4, is greater than permitted\n",
      "[14:02:06] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:06] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:06] ERROR: Could not sanitize molecule ending on line 58087367\n",
      "[14:02:06] ERROR: Could not sanitize molecule ending on line 58087367\n",
      "RDKit ERROR: [14:02:06] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:07] Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:07] ERROR: Could not sanitize molecule ending on line 58097126\n",
      "[14:02:06] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:07] Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "[14:02:07] ERROR: Could not sanitize molecule ending on line 58097126\n",
      "RDKit ERROR: [14:02:07] ERROR: Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:07] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:07] ERROR: Could not sanitize molecule ending on line 58109888\n",
      "[14:02:07] ERROR: Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "[14:02:07] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:02:07] ERROR: Could not sanitize molecule ending on line 58109888\n",
      "RDKit ERROR: [14:02:07] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:02:07] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:02:07] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:07] Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:07] ERROR: Could not sanitize molecule ending on line 58127723\n",
      "[14:02:07] ERROR: Could not sanitize molecule ending on line 58127723\n",
      "RDKit ERROR: [14:02:07] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:02:07] ERROR: Explicit valence for atom # 33 N, 4, is greater than permitted\n",
      "[14:02:08] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:08] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:08] ERROR: Could not sanitize molecule ending on line 58197753\n",
      "[14:02:08] ERROR: Could not sanitize molecule ending on line 58197753\n",
      "RDKit ERROR: [14:02:08] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:02:08] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:02:08] Explicit valence for atom # 41 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:08] Explicit valence for atom # 41 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:08] ERROR: Could not sanitize molecule ending on line 58222801\n",
      "[14:02:08] ERROR: Could not sanitize molecule ending on line 58222801\n",
      "RDKit ERROR: [14:02:08] ERROR: Explicit valence for atom # 41 N, 4, is greater than permitted\n",
      "[14:02:08] ERROR: Explicit valence for atom # 41 N, 4, is greater than permitted\n",
      "[14:02:09] Explicit valence for atom # 64 C, 6, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] Explicit valence for atom # 64 C, 6, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] ERROR: Could not sanitize molecule ending on line 58236234\n",
      "[14:02:09] ERROR: Could not sanitize molecule ending on line 58236234\n",
      "RDKit ERROR: [14:02:09] ERROR: Explicit valence for atom # 64 C, 6, is greater than permitted\n",
      "[14:02:09] ERROR: Explicit valence for atom # 64 C, 6, is greater than permitted\n",
      "[14:02:09] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] ERROR: Could not sanitize molecule ending on line 58241286\n",
      "[14:02:09] ERROR: Could not sanitize molecule ending on line 58241286\n",
      "RDKit ERROR: [14:02:09] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:09] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:09] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] ERROR: Could not sanitize molecule ending on line 58268117\n",
      "[14:02:09] ERROR: Could not sanitize molecule ending on line 58268117\n",
      "RDKit ERROR: [14:02:09] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:09] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:09] Explicit valence for atom # 28 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] Explicit valence for atom # 28 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:09] ERROR: Could not sanitize molecule ending on line 58277525\n",
      "[14:02:09] ERROR: Could not sanitize molecule ending on line 58277525\n",
      "RDKit ERROR: [14:02:09] ERROR: Explicit valence for atom # 28 N, 5, is greater than permitted\n",
      "[14:02:09] ERROR: Explicit valence for atom # 28 N, 5, is greater than permitted\n",
      "[14:02:09] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:02:09] Unexpected error hit on line 58284111\n",
      "RDKit ERROR: [14:02:09] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:02:09] Unexpected error hit on line 58284111\n",
      "RDKit ERROR: [14:02:09] ERROR: moving to the beginning of the next molecule\n",
      "[14:02:09] ERROR: moving to the beginning of the next molecule\n",
      "[14:02:10] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] ERROR: Could not sanitize molecule ending on line 58297691\n",
      "[14:02:10] ERROR: Could not sanitize molecule ending on line 58297691\n",
      "RDKit ERROR: [14:02:10] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:02:10] ERROR: Explicit valence for atom # 5 N, 4, is greater than permitted\n",
      "[14:02:10] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] ERROR: Could not sanitize molecule ending on line 58307565\n",
      "[14:02:10] ERROR: Could not sanitize molecule ending on line 58307565\n",
      "RDKit ERROR: [14:02:10] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:10] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:10] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:02:10] Unexpected error hit on line 58332640\n",
      "RDKit ERROR: [14:02:10] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:02:10] Unexpected error hit on line 58332640\n",
      "RDKit ERROR: [14:02:10] ERROR: moving to the beginning of the next molecule\n",
      "[14:02:10] ERROR: moving to the beginning of the next molecule\n",
      "[14:02:10] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] ERROR: Could not sanitize molecule ending on line 58341264\n",
      "[14:02:10] ERROR: Could not sanitize molecule ending on line 58341264\n",
      "RDKit ERROR: [14:02:10] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:02:10] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:02:10] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:10] ERROR: Could not sanitize molecule ending on line 58344731\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[14:02:10] ERROR: Could not sanitize molecule ending on line 58344731\n",
      "RDKit ERROR: [14:02:10] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:02:10] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:02:11] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:11] Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:11] ERROR: Could not sanitize molecule ending on line 58366666\n",
      "[14:02:11] ERROR: Could not sanitize molecule ending on line 58366666\n",
      "RDKit ERROR: [14:02:11] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:02:11] ERROR: Explicit valence for atom # 8 N, 5, is greater than permitted\n",
      "[14:02:11] Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:11] Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:11] ERROR: Could not sanitize molecule ending on line 58392121\n",
      "[14:02:11] ERROR: Could not sanitize molecule ending on line 58392121\n",
      "RDKit ERROR: [14:02:11] ERROR: Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "[14:02:11] ERROR: Explicit valence for atom # 35 N, 4, is greater than permitted\n",
      "[14:02:11] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:11] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:11] ERROR: Could not sanitize molecule ending on line 58394178\n",
      "[14:02:11] ERROR: Could not sanitize molecule ending on line 58394178\n",
      "RDKit ERROR: [14:02:11] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:02:11] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:02:12] Explicit valence for atom # 10 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:02:12] Explicit valence for atom # 10 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:02:12] ERROR: Could not sanitize molecule ending on line 58418937\n",
      "[14:02:12] ERROR: Could not sanitize molecule ending on line 58418937\n",
      "RDKit ERROR: [14:02:12] ERROR: Explicit valence for atom # 10 H, 2, is greater than permitted\n",
      "[14:02:12] ERROR: Explicit valence for atom # 10 H, 2, is greater than permitted\n",
      "[14:02:12] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:12] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:12] ERROR: Could not sanitize molecule ending on line 58420683\n",
      "[14:02:12] ERROR: Could not sanitize molecule ending on line 58420683\n",
      "RDKit ERROR: [14:02:12] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:12] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:12] Explicit valence for atom # 45 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:12] Explicit valence for atom # 45 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:12] ERROR: Could not sanitize molecule ending on line 58431214\n",
      "[14:02:12] ERROR: Could not sanitize molecule ending on line 58431214\n",
      "RDKit ERROR: [14:02:12] ERROR: Explicit valence for atom # 45 N, 4, is greater than permitted\n",
      "[14:02:12] ERROR: Explicit valence for atom # 45 N, 4, is greater than permitted\n",
      "[14:02:13] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:13] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:13] ERROR: Could not sanitize molecule ending on line 58487099\n",
      "[14:02:13] ERROR: Could not sanitize molecule ending on line 58487099\n",
      "RDKit ERROR: [14:02:13] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:02:13] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:02:13] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:13] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:13] ERROR: Could not sanitize molecule ending on line 58499280\n",
      "[14:02:13] ERROR: Could not sanitize molecule ending on line 58499280\n",
      "RDKit ERROR: [14:02:13] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:13] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:13] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:13] Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:13] ERROR: Could not sanitize molecule ending on line 58531870\n",
      "[14:02:13] ERROR: Could not sanitize molecule ending on line 58531870\n",
      "RDKit ERROR: [14:02:13] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:02:13] ERROR: Explicit valence for atom # 22 N, 4, is greater than permitted\n",
      "[14:02:14] Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:14] Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:14] ERROR: Could not sanitize molecule ending on line 58598652\n",
      "[14:02:14] ERROR: Could not sanitize molecule ending on line 58598652\n",
      "RDKit ERROR: [14:02:14] ERROR: Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:15] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:15] ERROR: Could not sanitize molecule ending on line 58624867\n",
      "[14:02:14] ERROR: Explicit valence for atom # 36 N, 4, is greater than permitted\n",
      "[14:02:15] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:15] ERROR: Could not sanitize molecule ending on line 58624867\n",
      "RDKit ERROR: [14:02:15] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:15] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:15] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:15] Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:15] ERROR: Could not sanitize molecule ending on line 58661982\n",
      "RDKit ERROR: [14:02:15] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:02:15] ERROR: Could not sanitize molecule ending on line 58661982\n",
      "[14:02:15] ERROR: Explicit valence for atom # 18 N, 4, is greater than permitted\n",
      "[14:02:15] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:15] Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:15] ERROR: Could not sanitize molecule ending on line 58672067\n",
      "[14:02:15] ERROR: Could not sanitize molecule ending on line 58672067\n",
      "RDKit ERROR: [14:02:15] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:15] ERROR: Explicit valence for atom # 19 N, 4, is greater than permitted\n",
      "[14:02:16] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:16] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:16] ERROR: Could not sanitize molecule ending on line 58710678\n",
      "[14:02:16] ERROR: Could not sanitize molecule ending on line 58710678\n",
      "RDKit ERROR: [14:02:16] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:16] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:17] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:17] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:17] ERROR: Could not sanitize molecule ending on line 58761700\n",
      "[14:02:17] ERROR: Could not sanitize molecule ending on line 58761700\n",
      "RDKit ERROR: [14:02:17] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:02:17] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:02:17] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:17] Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:17] ERROR: Could not sanitize molecule ending on line 58784537\n",
      "[14:02:17] ERROR: Could not sanitize molecule ending on line 58784537\n",
      "RDKit ERROR: [14:02:17] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:02:17] ERROR: Explicit valence for atom # 21 N, 4, is greater than permitted\n",
      "[14:02:17] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:17] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:17] ERROR: Could not sanitize molecule ending on line 58801214\n",
      "[14:02:17] ERROR: Could not sanitize molecule ending on line 58801214\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:02:17] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:02:17] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:02:18] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:18] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:18] ERROR: Could not sanitize molecule ending on line 58823287\n",
      "[14:02:18] ERROR: Could not sanitize molecule ending on line 58823287\n",
      "RDKit ERROR: [14:02:18] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:02:18] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:02:18] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:18] Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:18] ERROR: Could not sanitize molecule ending on line 58835996\n",
      "[14:02:18] ERROR: Could not sanitize molecule ending on line 58835996\n",
      "RDKit ERROR: [14:02:18] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:02:18] ERROR: Explicit valence for atom # 1 N, 4, is greater than permitted\n",
      "[14:02:19] Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:19] Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:19] ERROR: Could not sanitize molecule ending on line 58878717\n",
      "[14:02:19] ERROR: Could not sanitize molecule ending on line 58878717\n",
      "RDKit ERROR: [14:02:19] ERROR: Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "[14:02:19] ERROR: Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "[14:02:19] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:19] Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:19] ERROR: Could not sanitize molecule ending on line 58909273\n",
      "[14:02:19] ERROR: Could not sanitize molecule ending on line 58909273\n",
      "RDKit ERROR: [14:02:19] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:02:19] ERROR: Explicit valence for atom # 10 N, 4, is greater than permitted\n",
      "[14:02:20] Explicit valence for atom # 21 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] Explicit valence for atom # 21 H, 2, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] ERROR: Could not sanitize molecule ending on line 58943631\n",
      "[14:02:20] ERROR: Could not sanitize molecule ending on line 58943631\n",
      "RDKit ERROR: [14:02:20] ERROR: Explicit valence for atom # 21 H, 2, is greater than permitted\n",
      "[14:02:20] ERROR: Explicit valence for atom # 21 H, 2, is greater than permitted\n",
      "[14:02:20] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] ERROR: Could not sanitize molecule ending on line 58953025\n",
      "[14:02:20] ERROR: Could not sanitize molecule ending on line 58953025\n",
      "RDKit ERROR: [14:02:20] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:20] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:20] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] ERROR: Could not sanitize molecule ending on line 58963965\n",
      "[14:02:20] ERROR: Could not sanitize molecule ending on line 58963965\n",
      "RDKit ERROR: [14:02:20] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:20] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:20] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:20] ERROR: Could not sanitize molecule ending on line 58998286\n",
      "[14:02:20] ERROR: Could not sanitize molecule ending on line 58998286\n",
      "RDKit ERROR: [14:02:20] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:02:20] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:02:22] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:22] Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:22] ERROR: Could not sanitize molecule ending on line 59080844\n",
      "[14:02:22] ERROR: Could not sanitize molecule ending on line 59080844\n",
      "RDKit ERROR: [14:02:22] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:22] ERROR: Explicit valence for atom # 11 N, 4, is greater than permitted\n",
      "[14:02:22] Explicit valence for atom # 17 C, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:22] Explicit valence for atom # 17 C, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:22] ERROR: Could not sanitize molecule ending on line 59082408\n",
      "[14:02:22] ERROR: Could not sanitize molecule ending on line 59082408\n",
      "RDKit ERROR: [14:02:22] ERROR: Explicit valence for atom # 17 C, 5, is greater than permitted\n",
      "[14:02:22] ERROR: Explicit valence for atom # 17 C, 5, is greater than permitted\n",
      "[14:02:22] \n",
      "\n",
      "****\n",
      "Pre-condition Violation\n",
      "bad dir\n",
      "Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "****\n",
      "\n",
      "[14:02:22] Unexpected error hit on line 59087733\n",
      "RDKit ERROR: [14:02:22] \n",
      "RDKit ERROR: \n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: Pre-condition Violation\n",
      "RDKit ERROR: bad dir\n",
      "RDKit ERROR: Violation occurred on line 386 in file /private/var/folders/24/8k48jl6d249_n_qfxwsl6xvm0000gn/T/pip-req-build-sxoc5k67/build/temp.macosx-10.9-x86_64-3.10/rdkit/Code/GraphMol/Chirality.cpp\n",
      "RDKit ERROR: Failed Expression: dir == Bond::ENDUPRIGHT || dir == Bond::ENDDOWNRIGHT\n",
      "RDKit ERROR: ****\n",
      "RDKit ERROR: \n",
      "RDKit ERROR: [14:02:22] Unexpected error hit on line 59087733\n",
      "RDKit ERROR: [14:02:22] ERROR: moving to the beginning of the next molecule\n",
      "[14:02:22] ERROR: moving to the beginning of the next molecule\n",
      "[14:02:22] Explicit valence for atom # 43 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:22] Explicit valence for atom # 43 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:22] ERROR: Could not sanitize molecule ending on line 59115303\n",
      "[14:02:22] ERROR: Could not sanitize molecule ending on line 59115303\n",
      "RDKit ERROR: [14:02:22] ERROR: Explicit valence for atom # 43 N, 4, is greater than permitted\n",
      "[14:02:22] ERROR: Explicit valence for atom # 43 N, 4, is greater than permitted\n",
      "[14:02:23] Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:23] Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:23] ERROR: Could not sanitize molecule ending on line 59131376\n",
      "[14:02:23] ERROR: Could not sanitize molecule ending on line 59131376\n",
      "RDKit ERROR: [14:02:23] ERROR: Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:23] Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:23] ERROR: Could not sanitize molecule ending on line 59141685\n",
      "[14:02:23] ERROR: Explicit valence for atom # 27 N, 4, is greater than permitted\n",
      "[14:02:23] Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "[14:02:23] ERROR: Could not sanitize molecule ending on line 59141685\n",
      "RDKit ERROR: [14:02:23] ERROR: Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "RDKit ERROR: [14:02:23] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:23] ERROR: Could not sanitize molecule ending on line 59177801\n",
      "[14:02:23] ERROR: Explicit valence for atom # 27 N, 5, is greater than permitted\n",
      "[14:02:23] Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:02:23] ERROR: Could not sanitize molecule ending on line 59177801\n",
      "RDKit ERROR: [14:02:23] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:02:23] ERROR: Explicit valence for atom # 7 N, 4, is greater than permitted\n",
      "[14:02:24] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:24] Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:24] ERROR: Could not sanitize molecule ending on line 59198799\n",
      "[14:02:24] ERROR: Could not sanitize molecule ending on line 59198799\n",
      "RDKit ERROR: [14:02:24] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:24] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:24] ERROR: Could not sanitize molecule ending on line 59208362\n",
      "[14:02:24] ERROR: Explicit valence for atom # 9 N, 4, is greater than permitted\n",
      "[14:02:24] Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:02:24] ERROR: Could not sanitize molecule ending on line 59208362\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:02:24] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:02:24] ERROR: Explicit valence for atom # 15 N, 4, is greater than permitted\n",
      "[14:02:24] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:24] Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:24] ERROR: Could not sanitize molecule ending on line 59241088\n",
      "[14:02:24] ERROR: Could not sanitize molecule ending on line 59241088\n",
      "RDKit ERROR: [14:02:24] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:24] ERROR: Explicit valence for atom # 4 N, 4, is greater than permitted\n",
      "[14:02:25] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:25] Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:25] ERROR: Could not sanitize molecule ending on line 59285328\n",
      "[14:02:25] ERROR: Could not sanitize molecule ending on line 59285328\n",
      "RDKit ERROR: [14:02:25] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:02:25] ERROR: Explicit valence for atom # 20 N, 4, is greater than permitted\n",
      "[14:02:25] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:25] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:25] ERROR: Could not sanitize molecule ending on line 59311524\n",
      "[14:02:25] ERROR: Could not sanitize molecule ending on line 59311524\n",
      "RDKit ERROR: [14:02:25] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:25] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:25] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:25] Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:25] ERROR: Could not sanitize molecule ending on line 59320229\n",
      "[14:02:25] ERROR: Could not sanitize molecule ending on line 59320229\n",
      "RDKit ERROR: [14:02:25] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:02:25] ERROR: Explicit valence for atom # 37 N, 4, is greater than permitted\n",
      "[14:02:26] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:26] Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:26] ERROR: Could not sanitize molecule ending on line 59351824\n",
      "RDKit ERROR: [14:02:26] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:26] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "RDKit ERROR: [14:02:26] ERROR: Could not sanitize molecule ending on line 59353825\n",
      "[14:02:26] ERROR: Could not sanitize molecule ending on line 59351824\n",
      "[14:02:26] ERROR: Explicit valence for atom # 23 N, 4, is greater than permitted\n",
      "[14:02:26] Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:26] ERROR: Could not sanitize molecule ending on line 59353825\n"
     ]
    }
   ],
   "source": [
    "coco_db = PandasTools.LoadSDF(\"/Users/mahnoorzulfiqar/Downloads/COCONUT_DB.sdf\")\n",
    "#                     (input_dir + \"/structures.sdf\"),\n",
    "#                     idName=\"HMDB_ID\",\n",
    "#                     smilesName=\"SMILES\",\n",
    "#                     molColName=\"Molecule\",\n",
    "#                     includeFingerprints=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "e5e68112",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['coconut_id', 'inchi', 'inchikey', 'SMILES', 'sugar_free_smiles',\n",
       "       'molecular_formula', 'molecular_weight', 'citationDOI', 'textTaxa',\n",
       "       'name', 'synonyms', 'NPL_score', 'number_of_carbons',\n",
       "       'number_of_nitrogens', 'number_of_oxygens', 'number_of_rings',\n",
       "       'total_atom_number', 'bond_count', 'found_in_databases',\n",
       "       'murko_framework', 'alogp', 'apol', 'topoPSA', 'ID', 'ROMol'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "coco_db.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "id": "d7e4e657",
   "metadata": {},
   "outputs": [],
   "source": [
    "coco_db2 = coco_db[['coconut_id', 'inchi', 'inchikey', 'SMILES', 'molecular_formula', 'molecular_weight', 'textTaxa',\n",
    "       'name', 'synonyms', 'NPL_score']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "00af2210",
   "metadata": {},
   "outputs": [],
   "source": [
    "coco_db2.columns = coco_db2.columns.str.replace('identifier', 'Identifier')\n",
    "coco_db2.columns = coco_db2.columns.str.replace(\"inchi\", \"InChI\")\n",
    "coco_db2.columns = coco_db2.columns.str.replace(\"inchikey\", \"InChIKey\")\n",
    "coco_db2.columns = coco_db2.columns.str.replace(\"molecular_formula\", \"MolecularFormula\")\n",
    "coco_db2.columns = coco_db2.columns.str.replace(\"name\", \"CompoundName\")\n",
    "coco_db2.columns = coco_db2.columns.str.replace(\"synonym\", \"Synonym\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 61,
   "id": "d5b179a8",
   "metadata": {},
   "outputs": [],
   "source": [
    "coco_db2.to_csv(\"/Users/mahnoorzulfiqar/OneDriveUNI/GitHub-Repos/COCONUT_Jan2022.csv\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 64,
   "id": "8c53e10f",
   "metadata": {},
   "outputs": [],
   "source": [
    "slist_csv = pd.read_csv(\"/Users/mahnoorzulfiqar/OneDriveUNI/SuspectList/SkeletonemaSuspectListV1.csv\")\n",
    "del slist_csv[\"Unnamed: 0.3\"]\n",
    "del slist_csv[\"Unnamed: 0.2\"]\n",
    "del slist_csv[\"Unnamed: 0.1\"]\n",
    "del slist_csv[\"Unnamed: 0\"]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 66,
   "id": "6462333a",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['Name', 'Formula', 'Species', 'SMILES', 'InChI', 'Monoisotopic_mass',\n",
       "       'ChEBIid', 'KEGGid', 'PubChemId', 'source_database', 'Source',\n",
       "       'nonIsomeric_SMILES_byRDKit', 'iupac', 'synonyms', 'PubChemPY',\n",
       "       'correct_Name', 'Molecular mass', 'subclass', 'class', 'superclass',\n",
       "       'Enzymes'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 66,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "slist_csv.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 67,
   "id": "9404df0b",
   "metadata": {},
   "outputs": [],
   "source": [
    "#slist_csv.columns = slist_csv.columns.str.replace('identifier', 'Identifier')\n",
    "slist_csv.columns = slist_csv.columns.str.replace(\"Monoisotopic_mass\", \"MonoisotopicMass\")\n",
    "slist_csv.columns = slist_csv.columns.str.replace(\"Formula\", \"MolecularFormula\")\n",
    "slist_csv.columns = slist_csv.columns.str.replace(\"Name\", \"CompoundName\")\n",
    "slist_csv.columns = slist_csv.columns.str.replace(\"synonyms\", \"Synonym\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 68,
   "id": "97179853",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['CompoundName', 'MolecularFormula', 'Species', 'SMILES', 'InChI',\n",
       "       'MonoisotopicMass', 'ChEBIid', 'KEGGid', 'PubChemId', 'source_database',\n",
       "       'Source', 'nonIsomeric_SMILES_byRDKit', 'iupac', 'Synonym', 'PubChemPY',\n",
       "       'correct_CompoundName', 'Molecular mass', 'subclass', 'class',\n",
       "       'superclass', 'Enzymes'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 68,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "slist_csv.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 72,
   "id": "bd74d96c",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [14:02:26] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[14:02:26] ERROR: Explicit valence for atom # 8 N, 4, is greater than permitted\n",
      "[15:09:12] Invalid InChI prefix in generating InChI Key\n",
      "RDKit ERROR: [15:09:12] Invalid InChI prefix in generating InChI Key\n",
      "RDKit ERROR: [15:09:12] Invalid InChI prefix in generating InChI Key\n",
      "[15:09:12] Invalid InChI prefix in generating InChI Key\n"
     ]
    }
   ],
   "source": [
    "for i, rows in slist_csv.iterrows():\n",
    "    if i is not None:\n",
    "        mols = Chem.MolFromSmiles(slist_csv[\"SMILES\"][i])\n",
    "        try:\n",
    "            slist_csv.loc[i, \"InChIKey\"] = Chem.inchi.MolToInchiKey(mols)\n",
    "        except Exception as e:\n",
    "            print(e)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 76,
   "id": "a06810e8",
   "metadata": {},
   "outputs": [],
   "source": [
    "for i, rows in slist_csv.iterrows():\n",
    "    slist_csv.loc[i, \"Identifier\"] = \"SL_\"+str(i)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 75,
   "id": "bd8a24ed",
   "metadata": {},
   "outputs": [],
   "source": [
    "slist_csv.to_csv(\"/Users/mahnoorzulfiqar/OneDriveUNI/GitHub-Repos/SkeletonemaSuspectListV1_correctedColumns.csv\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 78,
   "id": "d9bcf56b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['CompoundName', 'MolecularFormula', 'Species', 'SMILES', 'InChI',\n",
       "       'MonoisotopicMass', 'ChEBIid', 'KEGGid', 'PubChemId', 'source_database',\n",
       "       'Source', 'nonIsomeric_SMILES_byRDKit', 'iupac', 'Synonym', 'PubChemPY',\n",
       "       'correct_CompoundName', 'Molecular mass', 'subclass', 'class',\n",
       "       'superclass', 'Enzymes', 'InChIKey', 'Identifier'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 78,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "slist_csv.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 79,
   "id": "a7f5185a",
   "metadata": {},
   "outputs": [],
   "source": [
    "slist_csv = slist_csv[['Identifier', 'CompoundName', 'MolecularFormula', 'Species', 'SMILES', 'InChI',\n",
    "       'MonoisotopicMass', 'ChEBIid', 'KEGGid', 'PubChemId', 'source_database',\n",
    "       'Source', 'nonIsomeric_SMILES_byRDKit', 'iupac', 'Synonym', 'PubChemPY',\n",
    "       'correct_CompoundName', 'Molecular mass', 'subclass', 'class',\n",
    "       'superclass', 'Enzymes', 'InChIKey']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 80,
   "id": "849e5cf4",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Identifier</th>\n",
       "      <th>CompoundName</th>\n",
       "      <th>MolecularFormula</th>\n",
       "      <th>Species</th>\n",
       "      <th>SMILES</th>\n",
       "      <th>InChI</th>\n",
       "      <th>MonoisotopicMass</th>\n",
       "      <th>ChEBIid</th>\n",
       "      <th>KEGGid</th>\n",
       "      <th>PubChemId</th>\n",
       "      <th>...</th>\n",
       "      <th>iupac</th>\n",
       "      <th>Synonym</th>\n",
       "      <th>PubChemPY</th>\n",
       "      <th>correct_CompoundName</th>\n",
       "      <th>Molecular mass</th>\n",
       "      <th>subclass</th>\n",
       "      <th>class</th>\n",
       "      <th>superclass</th>\n",
       "      <th>Enzymes</th>\n",
       "      <th>InChIKey</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>SL_0</td>\n",
       "      <td>N-Acetyl-L-glutamic acid</td>\n",
       "      <td>C7H11NO5</td>\n",
       "      <td>S. marinoi</td>\n",
       "      <td>CC(=O)N[C@@H](CCC(=O)O)C(=O)O</td>\n",
       "      <td>InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)...</td>\n",
       "      <td>189.063723</td>\n",
       "      <td>CHEBI:44337</td>\n",
       "      <td>C00624</td>\n",
       "      <td>70914.0</td>\n",
       "      <td>...</td>\n",
       "      <td>(2S)-2-acetamidopentanedioic acid</td>\n",
       "      <td>['N-Acetyl-L-glutamic acid', '1188-37-0', 'ace...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>189.17</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>RFMMMVDNIPUKGG-YFKPBYRVSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>SL_1</td>\n",
       "      <td>Threonic acid</td>\n",
       "      <td>C4H8O5</td>\n",
       "      <td>S. marinoi</td>\n",
       "      <td>C(C(C(C(=O)O)O)O)O</td>\n",
       "      <td>InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1...</td>\n",
       "      <td>136.037173</td>\n",
       "      <td>CHEBI:26984</td>\n",
       "      <td>NaN</td>\n",
       "      <td>439535.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2,3,4-trihydroxybutanoic acid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>checked; structure added</td>\n",
       "      <td>NaN</td>\n",
       "      <td>136.10</td>\n",
       "      <td>Carbohydrates and carbohydrate conjugates</td>\n",
       "      <td>Organooxygen compounds</td>\n",
       "      <td>Organic oxygen compounds</td>\n",
       "      <td>NaN</td>\n",
       "      <td>JPIJQSOTBSSVTP-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>SL_2</td>\n",
       "      <td>L-citrulline</td>\n",
       "      <td>C6H13N3O3</td>\n",
       "      <td>S. costatum</td>\n",
       "      <td>C(C[C@@H](C(=O)O)N)CNC(=O)N</td>\n",
       "      <td>InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12...</td>\n",
       "      <td>175.095691</td>\n",
       "      <td>CHEBI:16349</td>\n",
       "      <td>C00327</td>\n",
       "      <td>9750.0</td>\n",
       "      <td>...</td>\n",
       "      <td>(2S)-2-amino-5-(carbamoylamino)pentanoic acid</td>\n",
       "      <td>['L-citrulline', 'citrulline', '372-75-8', 'H-...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>175.19</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>RHGKLRLOHDJJDR-BYPYZUCNSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>SL_3</td>\n",
       "      <td>DL-HISTIDINE</td>\n",
       "      <td>C6H9N3O2</td>\n",
       "      <td>S. marinoi and S. costatum</td>\n",
       "      <td>NC(Cc1c[nH]cn1)C(O)=O</td>\n",
       "      <td>InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h...</td>\n",
       "      <td>155.069477</td>\n",
       "      <td>CHEBI:27570</td>\n",
       "      <td>NaN</td>\n",
       "      <td>773.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2-amino-3-(1H-imidazol-5-yl)propanoic acid</td>\n",
       "      <td>['DL-HISTIDINE', '4998-57-6', 'H-DL-His-OH', '...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>155.15</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HNDVDQJCIGZPNO-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>SL_4</td>\n",
       "      <td>DL-Leucine</td>\n",
       "      <td>C6H13NO2</td>\n",
       "      <td>S. marinoi and S. costatum</td>\n",
       "      <td>CC(C)CC(N)C(O)=O</td>\n",
       "      <td>InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7...</td>\n",
       "      <td>131.094629</td>\n",
       "      <td>CHEBI:25017</td>\n",
       "      <td>NaN</td>\n",
       "      <td>857.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2-amino-4-methylpentanoic acid</td>\n",
       "      <td>['DL-Leucine', '328-39-2', 'H-DL-Leu-OH', '2-A...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>131.17</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>ROHFNLRQFUQHCH-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>881</th>\n",
       "      <td>SL_881</td>\n",
       "      <td>Phosphatidylethanolamine</td>\n",
       "      <td>C9H18NO8P</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C</td>\n",
       "      <td>InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-...</td>\n",
       "      <td>299.077004</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>5327011.0</td>\n",
       "      <td>...</td>\n",
       "      <td>[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)pho...</td>\n",
       "      <td>['UNII-7CMB6B4449', '7CMB6B4449', '[(2R)-2-ace...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>299.21</td>\n",
       "      <td>Glycerophosphoethanolamines</td>\n",
       "      <td>Glycerophospholipids</td>\n",
       "      <td>Lipids and lipid-like molecules</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CFWRDBDJAOHXSH-SECBINFHSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>882</th>\n",
       "      <td>SL_882</td>\n",
       "      <td>cholesterol sulphate</td>\n",
       "      <td>C27H46O4S</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3...</td>\n",
       "      <td>InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12...</td>\n",
       "      <td>466.311681</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>65076.0</td>\n",
       "      <td>...</td>\n",
       "      <td>[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-...</td>\n",
       "      <td>['Cholesterol sulfate', 'Cholesteryl sulfate',...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>466.70</td>\n",
       "      <td>Cholestane steroids</td>\n",
       "      <td>Steroids and steroid derivatives</td>\n",
       "      <td>Lipids and lipid-like molecules</td>\n",
       "      <td>NaN</td>\n",
       "      <td>BHYOQNUELFTYRT-DPAQBDIFSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>883</th>\n",
       "      <td>SL_883</td>\n",
       "      <td>EHETE</td>\n",
       "      <td>C20H30O4</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>C(CCCCCC=CC=CC=CC1=C(O1)O)CCCCCC(=O)O</td>\n",
       "      <td>InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-...</td>\n",
       "      <td>334.214409</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>139267243.0</td>\n",
       "      <td>...</td>\n",
       "      <td>18-(3-hydroxyoxiren-2-yl)octadeca-13,15,17-tri...</td>\n",
       "      <td>['epoxy-hydroxy-eicosatetraenoic acid']</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>334.40</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>UKMMYLXMVSMRAX-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>884</th>\n",
       "      <td>SL_884</td>\n",
       "      <td>HHTrE</td>\n",
       "      <td>C16H26O3</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>CCCCCCCCCC=CC=CC=C(C(=O)O)O</td>\n",
       "      <td>InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-...</td>\n",
       "      <td>266.188195</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>129650825.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2-hydroxyhexadeca-2,4,6-trienoic acid</td>\n",
       "      <td>['hydroxy hexadecatrienoic acid']</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>266.38</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NERZKBYSVCSUHD-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>885</th>\n",
       "      <td>SL_885</td>\n",
       "      <td>EHHDE</td>\n",
       "      <td>C16H26O4</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>C(CCCCCC=CC1=C(O1)O)CCCCCC(=O)O</td>\n",
       "      <td>InChI=1S/C16H26O4/c17-15(18)13-11-9-7-5-3-1-2-...</td>\n",
       "      <td>282.183109</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>139267073.0</td>\n",
       "      <td>...</td>\n",
       "      <td>14-(3-hydroxyoxiren-2-yl)tetradec-13-enoic acid</td>\n",
       "      <td>['epoxy-hydroxy-hexadecadienoic acid']</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>282.37</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>QOGJXLGUJRGOPZ-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>886 rows × 23 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "    Identifier              CompoundName MolecularFormula  \\\n",
       "0         SL_0  N-Acetyl-L-glutamic acid         C7H11NO5   \n",
       "1         SL_1             Threonic acid           C4H8O5   \n",
       "2         SL_2              L-citrulline        C6H13N3O3   \n",
       "3         SL_3              DL-HISTIDINE         C6H9N3O2   \n",
       "4         SL_4                DL-Leucine         C6H13NO2   \n",
       "..         ...                       ...              ...   \n",
       "881     SL_881  Phosphatidylethanolamine        C9H18NO8P   \n",
       "882     SL_882      cholesterol sulphate        C27H46O4S   \n",
       "883     SL_883                     EHETE         C20H30O4   \n",
       "884     SL_884                     HHTrE         C16H26O3   \n",
       "885     SL_885                     EHHDE         C16H26O4   \n",
       "\n",
       "                        Species  \\\n",
       "0                    S. marinoi   \n",
       "1                    S. marinoi   \n",
       "2                   S. costatum   \n",
       "3    S. marinoi and S. costatum   \n",
       "4    S. marinoi and S. costatum   \n",
       "..                          ...   \n",
       "881                   S.marinoi   \n",
       "882                   S.marinoi   \n",
       "883                   S.marinoi   \n",
       "884                   S.marinoi   \n",
       "885                   S.marinoi   \n",
       "\n",
       "                                                SMILES  \\\n",
       "0                        CC(=O)N[C@@H](CCC(=O)O)C(=O)O   \n",
       "1                                   C(C(C(C(=O)O)O)O)O   \n",
       "2                          C(C[C@@H](C(=O)O)N)CNC(=O)N   \n",
       "3                                NC(Cc1c[nH]cn1)C(O)=O   \n",
       "4                                     CC(C)CC(N)C(O)=O   \n",
       "..                                                 ...   \n",
       "881               CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C   \n",
       "882  C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3...   \n",
       "883              C(CCCCCC=CC=CC=CC1=C(O1)O)CCCCCC(=O)O   \n",
       "884                        CCCCCCCCCC=CC=CC=C(C(=O)O)O   \n",
       "885                    C(CCCCCC=CC1=C(O1)O)CCCCCC(=O)O   \n",
       "\n",
       "                                                 InChI  MonoisotopicMass  \\\n",
       "0    InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)...        189.063723   \n",
       "1    InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1...        136.037173   \n",
       "2    InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12...        175.095691   \n",
       "3    InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h...        155.069477   \n",
       "4    InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7...        131.094629   \n",
       "..                                                 ...               ...   \n",
       "881  InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-...        299.077004   \n",
       "882  InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12...        466.311681   \n",
       "883  InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-...        334.214409   \n",
       "884  InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-...        266.188195   \n",
       "885  InChI=1S/C16H26O4/c17-15(18)13-11-9-7-5-3-1-2-...        282.183109   \n",
       "\n",
       "         ChEBIid  KEGGid    PubChemId  ...  \\\n",
       "0    CHEBI:44337  C00624      70914.0  ...   \n",
       "1    CHEBI:26984     NaN     439535.0  ...   \n",
       "2    CHEBI:16349  C00327       9750.0  ...   \n",
       "3    CHEBI:27570     NaN        773.0  ...   \n",
       "4    CHEBI:25017     NaN        857.0  ...   \n",
       "..           ...     ...          ...  ...   \n",
       "881          NaN     NaN    5327011.0  ...   \n",
       "882          NaN     NaN      65076.0  ...   \n",
       "883          NaN     NaN  139267243.0  ...   \n",
       "884          NaN     NaN  129650825.0  ...   \n",
       "885          NaN     NaN  139267073.0  ...   \n",
       "\n",
       "                                                 iupac  \\\n",
       "0                    (2S)-2-acetamidopentanedioic acid   \n",
       "1                        2,3,4-trihydroxybutanoic acid   \n",
       "2        (2S)-2-amino-5-(carbamoylamino)pentanoic acid   \n",
       "3           2-amino-3-(1H-imidazol-5-yl)propanoic acid   \n",
       "4                       2-amino-4-methylpentanoic acid   \n",
       "..                                                 ...   \n",
       "881  [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)pho...   \n",
       "882  [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-...   \n",
       "883  18-(3-hydroxyoxiren-2-yl)octadeca-13,15,17-tri...   \n",
       "884              2-hydroxyhexadeca-2,4,6-trienoic acid   \n",
       "885    14-(3-hydroxyoxiren-2-yl)tetradec-13-enoic acid   \n",
       "\n",
       "                                               Synonym  \\\n",
       "0    ['N-Acetyl-L-glutamic acid', '1188-37-0', 'ace...   \n",
       "1                                                  NaN   \n",
       "2    ['L-citrulline', 'citrulline', '372-75-8', 'H-...   \n",
       "3    ['DL-HISTIDINE', '4998-57-6', 'H-DL-His-OH', '...   \n",
       "4    ['DL-Leucine', '328-39-2', 'H-DL-Leu-OH', '2-A...   \n",
       "..                                                 ...   \n",
       "881  ['UNII-7CMB6B4449', '7CMB6B4449', '[(2R)-2-ace...   \n",
       "882  ['Cholesterol sulfate', 'Cholesteryl sulfate',...   \n",
       "883            ['epoxy-hydroxy-eicosatetraenoic acid']   \n",
       "884                  ['hydroxy hexadecatrienoic acid']   \n",
       "885             ['epoxy-hydroxy-hexadecadienoic acid']   \n",
       "\n",
       "                    PubChemPY correct_CompoundName Molecular mass  \\\n",
       "0           checked; NEW name                  NaN         189.17   \n",
       "1    checked; structure added                  NaN         136.10   \n",
       "2           checked; NEW name                  NaN         175.19   \n",
       "3           checked; NEW name                  NaN         155.15   \n",
       "4           checked; NEW name                  NaN         131.17   \n",
       "..                        ...                  ...            ...   \n",
       "881                       NaN                  NaN         299.21   \n",
       "882                       NaN                  NaN         466.70   \n",
       "883                       NaN                  NaN         334.40   \n",
       "884                       NaN                  NaN         266.38   \n",
       "885                       NaN                  NaN         282.37   \n",
       "\n",
       "                                      subclass  \\\n",
       "0         Amino acids, peptides, and analogues   \n",
       "1    Carbohydrates and carbohydrate conjugates   \n",
       "2         Amino acids, peptides, and analogues   \n",
       "3         Amino acids, peptides, and analogues   \n",
       "4         Amino acids, peptides, and analogues   \n",
       "..                                         ...   \n",
       "881                Glycerophosphoethanolamines   \n",
       "882                        Cholestane steroids   \n",
       "883                                        NaN   \n",
       "884                                        NaN   \n",
       "885                                        NaN   \n",
       "\n",
       "                                class                       superclass  \\\n",
       "0    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "1              Organooxygen compounds         Organic oxygen compounds   \n",
       "2    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "3    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "4    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "..                                ...                              ...   \n",
       "881              Glycerophospholipids  Lipids and lipid-like molecules   \n",
       "882  Steroids and steroid derivatives  Lipids and lipid-like molecules   \n",
       "883                               NaN                              NaN   \n",
       "884                               NaN                              NaN   \n",
       "885                               NaN                              NaN   \n",
       "\n",
       "    Enzymes                     InChIKey  \n",
       "0       NaN  RFMMMVDNIPUKGG-YFKPBYRVSA-N  \n",
       "1       NaN  JPIJQSOTBSSVTP-UHFFFAOYSA-N  \n",
       "2       NaN  RHGKLRLOHDJJDR-BYPYZUCNSA-N  \n",
       "3       NaN  HNDVDQJCIGZPNO-UHFFFAOYSA-N  \n",
       "4       NaN  ROHFNLRQFUQHCH-UHFFFAOYSA-N  \n",
       "..      ...                          ...  \n",
       "881     NaN  CFWRDBDJAOHXSH-SECBINFHSA-N  \n",
       "882     NaN  BHYOQNUELFTYRT-DPAQBDIFSA-N  \n",
       "883     NaN  UKMMYLXMVSMRAX-UHFFFAOYSA-N  \n",
       "884     NaN  NERZKBYSVCSUHD-UHFFFAOYSA-N  \n",
       "885     NaN  QOGJXLGUJRGOPZ-UHFFFAOYSA-N  \n",
       "\n",
       "[886 rows x 23 columns]"
      ]
     },
     "execution_count": 80,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "slist_csv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 81,
   "id": "795ad562",
   "metadata": {},
   "outputs": [],
   "source": [
    "slist_csv.to_csv(\"/Users/mahnoorzulfiqar/OneDriveUNI/GitHub-Repos/SkeletonemaSuspectListV1_correctedColumns.csv\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "5c206ea0",
   "metadata": {},
   "outputs": [],
   "source": [
    "adducts <-c() ##adducts from final_adduct\n",
    "    mz_pre <- c() ##m/z from first_list\n",
    "    pc <- c() ##pc from final_adduct\n",
    "    peak_list <- c() ##peak lists from first_file\n",
    "    result_name <- c()##result names from first_file\n",
    "    isotope_list <- c()\n",
    "    rt_list <- c()##rt from first_file\n",
    "    into_list <- c()##intensity of m/z from final_adduct\n",
    "    idX<- c()\n",
    "    for (d in first_list[,\"precursor_list\"]) {\n",
    "        for (j in 1:length(final_adduct[,\"mz\"])) {\n",
    "            if (d<=final_adduct[j, \"mzmax\"] && final_adduct[j, \"mzmin\"] <=d){\n",
    "                if (first_list[which(first_list[,\"precursor_list\"] == d), \"rt_list\"]<=final_adduct[j, \"rtmax\"] && final_adduct[j, \"rtmin\"] <=first_list[which(first_list[,\"precursor_list\"] == d), \"rt_list\"]){\n",
    "                    #mz_pre\n",
    "                    pre_mzzz <- final_adduct[j, \"mz\"]\n",
    "                    mz_pre <- c(mz_pre, pre_mzzz)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "2c272d26",
   "metadata": {},
   "source": [
    "# MAW-PY using old data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 112,
   "id": "ecf95d64",
   "metadata": {},
   "outputs": [],
   "source": [
    "matches = [\n",
    "        \"M+\",\n",
    "        \"[M\",\n",
    "        \"M-\",\n",
    "        \"2M\",\n",
    "        \"M*\", \n",
    "        \"20.0\",\n",
    "        \"50.0\",\n",
    "        \"30.0\",\n",
    "        \"40.0\",\n",
    "        \"60.0\",\n",
    "        \"70.0\",\n",
    "        \"eV\",\n",
    "        \"Massbank\",\n",
    "        \"Spectral\",\n",
    "        \"Match\",\n",
    "        \"to\",\n",
    "        \"from\",\n",
    "        \"NIST14\",\n",
    "        \"MoNA\",\n",
    "        \"[IIN-based:\",\n",
    "        \"[IIN-based\",\n",
    "        \"on:\",\n",
    "        \"CCMSLIB00003136269]\",\n",
    "        \"CollisionEnergy:\"\n",
    "    ]\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 113,
   "id": "1b89947f",
   "metadata": {},
   "outputs": [],
   "source": [
    "# Define scoring for all DBs\n",
    "def HMDB_Scoring(db, i):\n",
    "    if (\n",
    "        db[\"HMDBintScore\"][i] >= 0.50\n",
    "        and db[\"HMDBmzScore\"][i] >= 0.50\n",
    "        and db[\"HQMatchingPeaks\"][i] / db[\"hQueryTotalPeaks\"][i] >= 0.50\n",
    "    ):\n",
    "        return True\n",
    "    else:\n",
    "        return False\n",
    "\n",
    "def GNPS_Scoring(db, i):\n",
    "    if (\n",
    "        db[\"GNPSintScore\"][i] >= 0.50\n",
    "        and db[\"GNPSmzScore\"][i] >= 0.50\n",
    "        and db[\"GQMatchingPeaks\"][i] / db[\"gQueryTotalPeaks\"][i] >= 0.50\n",
    "    ):\n",
    "        return True\n",
    "    else:\n",
    "        return False\n",
    "\n",
    "def MB_Scoring(db, i):\n",
    "    if (\n",
    "        db[\"MBintScore\"][i] >= 0.50\n",
    "        and db[\"MBmzScore\"][i] >= 0.50\n",
    "        and db[\"MQMatchingPeaks\"][i] / db[\"mQueryTotalPeaks\"][i] >= 0.50\n",
    "    ):\n",
    "        return True\n",
    "    else:\n",
    "        return False"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 114,
   "id": "b754c6cb",
   "metadata": {},
   "outputs": [],
   "source": [
    "entry = \"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 115,
   "id": "e43bf28b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[]"
      ]
     },
     "execution_count": 115,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "msp_file = glob.glob(\n",
    "        entry + \"/spectral_dereplication/DS_201124_SC_full_PRM_neg_01\" + \"/*.csv\"\n",
    "    )\n",
    "msp_file"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "20ed1cca",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1/DS_201124_SC_full_PRM_neg_01/spectral_dereplication/spectral_results_for_file_1.csv']"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "glob.glob(\"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1/DS_201124_SC_full_PRM_neg_01/spectral_dereplication\" + \"/*.csv\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "296833a8",
   "metadata": {},
   "outputs": [],
   "source": [
    "def spec_postproc(entry, Source=\"all\"):\n",
    "    # currently only these subsets are removed from the names from GNPS\n",
    "    matches = [\n",
    "        \"M+\",\n",
    "        \"[M\",\n",
    "        \"M-\",\n",
    "        \"2M\",\n",
    "        \"M*\", \n",
    "        \"20.0\",\n",
    "        \"50.0\",\n",
    "        \"30.0\",\n",
    "        \"40.0\",\n",
    "        \"60.0\",\n",
    "        \"70.0\",\n",
    "        \"eV\",\n",
    "        \"Massbank\",\n",
    "        \"Spectral\",\n",
    "        \"Match\",\n",
    "        \"to\",\n",
    "        \"from\",\n",
    "        \"NIST14\",\n",
    "        \"MoNA\",\n",
    "        \"[IIN-based:\",\n",
    "        \"[IIN-based\",\n",
    "        \"on:\",\n",
    "        \"CCMSLIB00003136269]\",\n",
    "        \"CollisionEnergy:\"\n",
    "    ]\n",
    "\n",
    "\n",
    "    # Define scoring for all DBs\n",
    "    def HMDB_Scoring(db, i):\n",
    "        if (\n",
    "            db[\"HMDBintScore\"][i] >= 0.50\n",
    "            and db[\"HMDBmzScore\"][i] >= 0.50\n",
    "            and db[\"HQMatchingPeaks\"][i] / db[\"hQueryTotalPeaks\"][i] >= 0.50\n",
    "        ):\n",
    "            return True\n",
    "        else:\n",
    "            return False\n",
    "\n",
    "    def GNPS_Scoring(db, i):\n",
    "        if (\n",
    "            db[\"GNPSintScore\"][i] >= 0.50\n",
    "            and db[\"GNPSmzScore\"][i] >= 0.50\n",
    "            and db[\"GQMatchingPeaks\"][i] / db[\"gQueryTotalPeaks\"][i] >= 0.50\n",
    "        ):\n",
    "            return True\n",
    "        else:\n",
    "            return False\n",
    "\n",
    "    def MB_Scoring(db, i):\n",
    "        if (\n",
    "            db[\"MBintScore\"][i] >= 0.50\n",
    "            and db[\"MBmzScore\"][i] >= 0.50\n",
    "            and db[\"MQMatchingPeaks\"][i] / db[\"mQueryTotalPeaks\"][i] >= 0.50\n",
    "        ):\n",
    "            return True\n",
    "        else:\n",
    "            return False\n",
    "    # in case if we need HMDB later\n",
    "    if os.path.exists(entry.split(\"/DS\")[0] + \"/hmdb_dframe_str.csv\"):\n",
    "        extract_smiles = pd.read_csv(entry.split(\"/DS\")[0] + \"/hmdb_dframe_str.csv\", low_memory=False)\n",
    "   \n",
    "\n",
    "    msp_file = glob.glob(\n",
    "        entry + \"/spectral_dereplication\" + \"/*.csv\"\n",
    "    )\n",
    "    if len(msp_file) > 0:\n",
    "\n",
    "        if os.path.exists(msp_file[0]):\n",
    "\n",
    "            msp = pd.read_csv(msp_file[0])\n",
    "            # enter the directory with /spectral_dereplication/ results\n",
    "\n",
    "            # enter the directory with /spectral_dereplication/ results\n",
    "            # GNPS Results\n",
    "            if Source == \"gnps\" or Source == \"all\":\n",
    "                msp[\"gnps_results_csv\"] = np.nan\n",
    "\n",
    "                # print(entry)\n",
    "                # enter the directory with /spectral_dereplication/ results\n",
    "                sub_dir = (\n",
    "                    entry + \"/spectral_dereplication/GNPS/\"\n",
    "                )\n",
    "\n",
    "                if os.path.exists(sub_dir):\n",
    "                    files = glob.glob(sub_dir + \"/*.csv\")\n",
    "                    # print(files)\n",
    "                    files = [item for item in files if 'proc' not in item]\n",
    "\n",
    "                    for mz, row in msp.iterrows():\n",
    "                        for fls_g in files:\n",
    "\n",
    "                            if msp[\"id_X\"][mz] in fls_g:\n",
    "                                \n",
    "                                gnps_df = pd.read_csv(fls_g)\n",
    "                                if len(gnps_df) > 0:\n",
    "\n",
    "                                    for i, row in gnps_df.iterrows():\n",
    "                                        # if compound name is present\n",
    "\n",
    "                                        if GNPS_Scoring(gnps_df, i):\n",
    "                                            \n",
    "                                            if not isNaN(\n",
    "                                                gnps_df[\"GNPScompound_name\"][i]\n",
    "                                            ):\n",
    "                                                # split if there is a gap in the names\n",
    "\n",
    "                                                string_chng = gnps_df[\n",
    "                                                    \"GNPScompound_name\"\n",
    "                                                ][i].split(\" \")\n",
    "\n",
    "                                                # create an empty list\n",
    "                                                newstr = []\n",
    "\n",
    "                                                # for each part of the string in the names\n",
    "                                                chng = []\n",
    "\n",
    "                                                for j in range(\n",
    "                                                    len(string_chng)\n",
    "                                                ):\n",
    "                                                    # check if the substrings are present in the matches and no - is present\n",
    "\n",
    "                                                    if not any(\n",
    "                                                        x in string_chng[j]\n",
    "                                                        for x in matches\n",
    "                                                    ):  # and not '-' == string_chng[j]:\n",
    "\n",
    "                                                        # IF | and ! not in the substring\n",
    "                                                        if (\n",
    "                                                            \"|\"\n",
    "                                                            not in string_chng[\n",
    "                                                                j\n",
    "                                                            ]\n",
    "                                                            or \"!\"\n",
    "                                                            not in string_chng[\n",
    "                                                                j\n",
    "                                                            ]\n",
    "                                                        ):\n",
    "\n",
    "                                                            newstr.append(\n",
    "                                                                string_chng[j]\n",
    "                                                            )\n",
    "                                                        # if | present in the substring\n",
    "                                                        elif (\n",
    "                                                            \"|\"\n",
    "                                                            in string_chng[j]\n",
    "                                                        ):\n",
    "\n",
    "                                                            # split the string\n",
    "                                                            jlen = string_chng[\n",
    "                                                                j\n",
    "                                                            ].split(\"|\")\n",
    "                                                            # how many substrings are left now\n",
    "                                                            lst = len(jlen) - 1\n",
    "                                                            # append this to chng\n",
    "                                                            chng.append(\n",
    "                                                                jlen[lst]\n",
    "                                                            )\n",
    "                                                            break\n",
    "\n",
    "                                                            # now append chng to newstr\n",
    "                                                chng.append(\" \".join(newstr))\n",
    "\n",
    "                                                # save this as the correct name\n",
    "                                                gnps_df.loc[\n",
    "                                                    i, \"corr_names\"\n",
    "                                                ] = chng[0]\n",
    "\n",
    "                                                if not isNaN(\n",
    "                                                    gnps_df[\"GNPSSMILES\"][i]\n",
    "                                                ):\n",
    "                                                    if chng == \"\":\n",
    "                                                        break\n",
    "                                                    elif gnps_df[\"GNPSSMILES\"][\n",
    "                                                        i\n",
    "                                                    ].isalpha():\n",
    "                                                        s = pcp.get_compounds(\n",
    "                                                            chng[0], \"name\"\n",
    "                                                        )\n",
    "                                                        if s:\n",
    "                                                            for comp in s:\n",
    "                                                                gnps_df[\n",
    "                                                                    \"GNPSSMILES\"\n",
    "                                                                ][\n",
    "                                                                    i\n",
    "                                                                ] = (\n",
    "                                                                    comp.isomeric_smiles\n",
    "                                                                )\n",
    "                                                        else:\n",
    "                                                            gnps_df[\n",
    "                                                                \"GNPSSMILES\"\n",
    "                                                            ][i] = \"\"\n",
    "                                            else:\n",
    "                                                gnps_df[\"GNPSSMILES\"][i] = \"\"\n",
    "                                        else:\n",
    "                                            gnps_df.drop(\n",
    "                                                [i], axis=0, inplace=True\n",
    "                                            )\n",
    "                                    gnps_df = gnps_df.drop_duplicates(\n",
    "                                        subset=[\"GNPSSMILES\"]\n",
    "                                    )\n",
    "                                    for k, row in gnps_df.iterrows():\n",
    "\n",
    "                                        if isNaN(gnps_df[\"GNPSSMILES\"][k]):\n",
    "\n",
    "                                            if (\n",
    "                                                \"[\"\n",
    "                                                in gnps_df[\"GNPScompound_name\"][\n",
    "                                                    k\n",
    "                                                ].split(\" \")[-1]\n",
    "                                            ):\n",
    "                                                string_chng = gnps_df[\n",
    "                                                    \"GNPScompound_name\"\n",
    "                                                ][k].split(\"[\")\n",
    "                                                # print(gnps_df['GNPScompound_name'][i])\n",
    "\n",
    "                                                # keep_names = []\n",
    "                                                for j in range(\n",
    "                                                    len(string_chng) - 1\n",
    "                                                ):\n",
    "                                                    gnps_df.loc[\n",
    "                                                        k, \"corr_names\"\n",
    "                                                    ] == string_chng[j]\n",
    "                                                    s = pcp.get_compounds(\n",
    "                                                        string_chng[j], \"name\"\n",
    "                                                    )\n",
    "\n",
    "                                                    if s:\n",
    "                                                        for comp in s:\n",
    "                                                            gnps_df[\n",
    "                                                                \"GNPSSMILES\"\n",
    "                                                            ][\n",
    "                                                                k\n",
    "                                                            ] = (\n",
    "                                                                comp.isomeric_smiles\n",
    "                                                            )\n",
    "                                                            gnps_df.loc[\n",
    "                                                                k, \"GNPSformula\"\n",
    "                                                            ] = (\n",
    "                                                                comp.molecular_formula\n",
    "                                                            )\n",
    "                                                            gnps_df.loc[\n",
    "                                                                k, \"GNPSinchi\"\n",
    "                                                            ] = Chem.MolToInchi(\n",
    "                                                                Chem.MolFromSmiles(\n",
    "                                                                    comp.isomeric_smiles\n",
    "                                                                )\n",
    "                                                            )\n",
    "\n",
    "                                                    else:\n",
    "                                                        gnps_df[\"GNPSSMILES\"][\n",
    "                                                            k\n",
    "                                                        ] = \"\"\n",
    "                                                        gnps_df.loc[\n",
    "                                                            k, \"GNPSformula\"\n",
    "                                                        ] = \"\"\n",
    "                                                        gnps_df.loc[\n",
    "                                                            k, \"GNPSinchi\"\n",
    "                                                        ] = \"\"\n",
    "                                        if not isNaN(gnps_df[\"GNPSSMILES\"][k]):\n",
    "                                            try:\n",
    "                                                sx = pcp.get_compounds(\n",
    "                                                    gnps_df[\"GNPSSMILES\"][k],\n",
    "                                                    \"smiles\",\n",
    "                                                )\n",
    "                                                gnps_df.loc[\n",
    "                                                    k, \"GNPSinchi\"\n",
    "                                                ] = Chem.MolToInchi(\n",
    "                                                    Chem.MolFromSmiles(\n",
    "                                                        comp.isomeric_smiles\n",
    "                                                    )\n",
    "                                                )\n",
    "                                                if sx:\n",
    "                                                    sx = str(sx)\n",
    "                                                    comp = pcp.Compound.from_cid(\n",
    "                                                        [\n",
    "                                                            int(x)\n",
    "                                                            for x in re.findall(\n",
    "                                                                r\"\\b\\d+\\b\", sx\n",
    "                                                            )\n",
    "                                                        ]\n",
    "                                                    )\n",
    "                                                    gnps_df.loc[\n",
    "                                                        k, \"GNPSformula\"\n",
    "                                                    ] = comp.molecular_formula\n",
    "\n",
    "                                            except Exception:\n",
    "                                                gnps_df.loc[\n",
    "                                                    k, \"GNPSformula\"\n",
    "                                                ] = \"\"\n",
    "                                                gnps_df.loc[k, \"GNPSinchi\"] = \"\"\n",
    "\n",
    "                                gnps_df = gnps_df.dropna(axis=0, how=\"all\")\n",
    "                                csvname = (\n",
    "                                    (os.path.splitext(fls_g)[0])\n",
    "                                    + \"proc\"\n",
    "                                    + \".csv\"\n",
    "                                )\n",
    "\n",
    "                                msp.loc[\n",
    "                                    mz, \"gnps_results_csv\"\n",
    "                                ] = csvname\n",
    "                                \n",
    "                                if not os.path.exists(csvname):\n",
    "                                    #print(\"this is wrong?\")\n",
    "                                    #print(csvname)\n",
    "                                    #print(os.path.splitext(fls_g)[0])\n",
    "                                    gnps_df.to_csv(csvname)\n",
    "\n",
    "\n",
    "            msp.to_csv(msp_file[0])\n",
    "            # HMDB Results\n",
    "            if Source == \"hmdb\" or Source == \"all\":\n",
    "                sub_dir = (\n",
    "                    entry + \"/spectral_dereplication/HMDB/\"\n",
    "                )\n",
    "                if os.path.exists(sub_dir):\n",
    "                    files = glob.glob(sub_dir + \"/*.csv\")\n",
    "                    files = [item for item in files if 'proc' not in item]\n",
    "                    if os.path.exists(sub_dir):\n",
    "                        # print(files)\n",
    "                        for mz, row in msp.iterrows():\n",
    "                            #print(mz)\n",
    "                            # print(msp[\"id_X\"][mz])\n",
    "                            for fls_h in files:\n",
    "                                 if msp[\"id_X\"][mz] in fls_h:\n",
    "                                        hmdb_df = pd.read_csv(fls_h)\n",
    "\n",
    "                                        if len(hmdb_df) > 0:\n",
    "                                            if \"HMDBSMILES\" in hmdb_df.columns:\n",
    "                                                #print(hmdb_df)\n",
    "                                                for i, row in hmdb_df.iterrows():\n",
    "                                                # if compound name is present\n",
    "                                                    if not HMDB_Scoring(hmdb_df, i):\n",
    "                                                        hmdb_df.drop(i, inplace=True)\n",
    "                                                hmdb_df = hmdb_df.drop_duplicates(\n",
    "                                                    subset=[\"HMDBSMILES\"]\n",
    "                                                )\n",
    "\n",
    "\n",
    "                                                csvname = (\n",
    "                                                    (os.path.splitext(fls_h)[0])\n",
    "                                                    + \"proc\"\n",
    "                                                    + \".csv\"\n",
    "                                                )  \n",
    "                                                msp.loc[\n",
    "                                                    mz, \"hmdb_results_csv\"\n",
    "                                                ] = csvname\n",
    "\n",
    "                                                if not os.path.exists(csvname):\n",
    "                                                    hmdb_df.to_csv(csvname) \n",
    "                                            else:    \n",
    "                                                # merge on basis of id, frame and hmdb result files\n",
    "                                                SmilesHM = pd.merge(\n",
    "                                                    hmdb_df,\n",
    "                                                    extract_smiles,\n",
    "                                                    left_on=hmdb_df.HMDBcompoundID,\n",
    "                                                    right_on=extract_smiles.DATABASE_ID,\n",
    "                                                )\n",
    "                                                hmdb_df[\"HMDBcompoundID\"] = np.nan\n",
    "                                                hmdb_df[\"HMDBSMILES\"] = np.nan\n",
    "                                                hmdb_df[\"HMDBformula\"] = np.nan\n",
    "                                                hmdb_df[\"HMDBcompound_name\"] = np.nan\n",
    "                                                for i, row in hmdb_df.iterrows():\n",
    "                                                    #print(i)\n",
    "                                                    # if compound name is present\n",
    "                                                    if HMDB_Scoring(hmdb_df, i):\n",
    "\n",
    "                                                        #hmdb_df.drop(i, inplace=True)\n",
    "                                                        for j, row in SmilesHM.iterrows():\n",
    "                                                            #print(\"SmilesHM\")\n",
    "                                                            # where index for both match, add the name and SMILES\n",
    "                                                            if (\n",
    "                                                                hmdb_df[\"HMDBcompoundID\"][i]\n",
    "                                                                == SmilesHM[\n",
    "                                                                    \"HMDBcompoundID\"\n",
    "                                                                ][j]\n",
    "                                                            ):\n",
    "                                                                hmdb_df.loc[\n",
    "                                                                    i, \"HMDBSMILES\"\n",
    "                                                                ] = SmilesHM[\"SMILES\"][\n",
    "                                                                    j\n",
    "                                                                ]  # add SMILES\n",
    "                                                                hmdb_df.loc[\n",
    "                                                                    i, \"HMDBcompound_name\"\n",
    "                                                                ] = SmilesHM[\n",
    "                                                                    \"GENERIC_NAME\"\n",
    "                                                                ][\n",
    "                                                                    j\n",
    "                                                                ]  # add name\n",
    "                                                                hmdb_df.loc[\n",
    "                                                                    i, \"HMDBformula\"\n",
    "                                                                ] = SmilesHM[\"FORMULA\"][\n",
    "                                                                    j\n",
    "\n",
    "                                                                ]\n",
    "                                                                #print(hmdb_df[\"HMDBSMILES\"][i])\n",
    "                #                             \n",
    "                                            #print(hmdb_df)\n",
    "#                                         hmdb_df = hmdb_df.drop_duplicates(\n",
    "#                                              subset=[\"HMDBSMILES\"]\n",
    "#                                          )\n",
    "                                        csvname = (\n",
    "                                            (os.path.splitext(fls_h)[0])\n",
    "                                            + \"proc\"\n",
    "                                            + \".csv\"\n",
    "                                        )  \n",
    "                                        msp.loc[\n",
    "                                            mz, \"hmdb_results_csv\"\n",
    "                                        ] = csvname\n",
    "\n",
    "                                        if not os.path.exists(csvname):\n",
    "                                            hmdb_df.to_csv(csvname) \n",
    "            msp.to_csv(msp_file[0])\n",
    "            # MASSBANK Results\n",
    "\n",
    "            # enter the directory with /spectral_dereplication/ results\n",
    "            if Source == \"mbank\" or Source == \"all\":\n",
    "\n",
    "                sub_dir = (\n",
    "                    \n",
    "                    entry\n",
    "                    + \"/spectral_dereplication/MassBank/\"\n",
    "                )\n",
    "                if os.path.exists(sub_dir):\n",
    "                    files = glob.glob(sub_dir + \"/*.csv\")\n",
    "                    files = [item for item in files if 'proc' not in item]\n",
    "                    for mz, row in msp.iterrows():\n",
    "                        # print(msp[\"id_X\"][mz])\n",
    "                        for fls_m in files:\n",
    "                            if msp[\"id_X\"][mz] in fls_m:\n",
    "                                mbank_df = pd.read_csv(fls_m)\n",
    "                                if len(mbank_df) > 0:\n",
    "\n",
    "                                    for i, row in mbank_df.iterrows():\n",
    "                                        # if compound name is present\n",
    "                                         if not MB_Scoring(mbank_df, i):\n",
    "                                            mbank_df.drop(i, inplace=True)\n",
    "                                mbank_df = mbank_df.drop_duplicates(\n",
    "                                    subset=[\"MBSMILES\"]\n",
    "                                )\n",
    "                                csvname = (\n",
    "                                    (os.path.splitext(fls_m)[0])\n",
    "                                    + \"proc\"\n",
    "                                    + \".csv\"\n",
    "                                )\n",
    "\n",
    "                                msp.loc[\n",
    "                                    mz, \"mbank_results_csv\"\n",
    "                                ] = csvname\n",
    "\n",
    "                                if not os.path.exists(csvname):\n",
    "\n",
    "                                    mbank_df.to_csv(csvname)\n",
    "            msp.to_csv(msp_file[0])\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "cc983436",
   "metadata": {},
   "outputs": [],
   "source": [
    "entry = path + \"/\" + 'DS_201124_SC_full_PRM_neg_08'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "bea36191",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%3D1C%3DCC%28%3DCC1C2%3DCC%28%3DCC%3DC2O%29CC%3DC%29CC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(72300)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%5BC%40H%5D%28%5BC%40H%5D%28OC2%3DC1C%28%3DCC%28%3DC2%5BC%40%40H%5D3%5BC%40H%5D%28%5BC%40H%5D%28OC4%3DCC%28%3DCC%28%3DC34%29O%29O%29C5%3DCC%28%3DC%28C%3DC5%29O%29O%29O%29O%29O%29C6%3DCC%28%3DC%28C%3DC6%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(122738)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%5BC%40H%5D1O%5BC%40%40H%5D%28OC2%3DC%28O%29C%28O%29%3DC%28C%3DC2%29C%28%3DO%29%5CC%3DC%5CC2%3DCC%28O%29%3DC%28O%29C%3DC2%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(6441269)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%5BC%40H%5D1O%5BC%40%40H%5D%28OC2%3DCC%28O%29%3DC3C%28%3DO%29CC%28OC3%3DC2%29C2%3DCC%28O%29%3DC%28O%29C%3DC2%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(5319853)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%3D1C%3DCC2%3DC%28OC3%3DC2N%3DC4C%28C%3DNN4C%28C%29C%29%3DC3C%3D5C%3DCC%3DCC5OC%29C1'\n",
      "DEBUG:pubchempy:Created Compound(71827319)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%28C%28OC2%3DCC%28%3DCC%28%3DC21%29O%29O%29C3%3DCC%28%3DC%28C%3DC3%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(1203)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29OP%28%3DO%29%28O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(65533)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28CCC3C2CCC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(4388803)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28CCC3C2C%28CC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(13834054)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28C%3DCC%28%3DC1%29%2FC%3DC%2FC%28%3DO%29CC%28%3DO%29%2FC%3DC%2FC2%3DCC%28%3DC%28C%3DC2%29O%29OC%29O'\n",
      "DEBUG:pubchempy:Created Compound(969516)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29N%5BC%40%40H%5D%28C%3DO%29%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28CO%29O%29OS%28%3DO%29%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(170758)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%5D12CC%5BC%40H%5D%28C%5BC%40%40H%5D1CC%5BC%40%40H%5D3%5BC%40%40H%5D2CC%5BC%40%5D4%28%5BC%40H%5D3CCC4%3DO%29C%29OS%28%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(159663)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40H%5D1%5BC%40H%5D%28O%29O%5BC%40H%5D%28COS%28O%29%28%3DO%29%3DO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(72361)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29C1CCC2C1%28CCC3C2CC%3DC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(4903)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(135191)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40H%5D1%5BC%40H%5D%28O%29O%5BC%40H%5D%28COS%28%3DO%29%28%3DO%29O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(72361)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCN%28CCOC1%3DC%28Cl%29C%3DC%28Cl%29C%28OS%28O%29%28%3DO%29%3DO%29%3DC1Cl%29C%28%3DO%29N1C%3DCN%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(133052772)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29C1%3DC%28C%28Cl%29%3DC%28Cl%29C%28C%23N%29%3DC1Cl%29S%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(138402812)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29C1%3DC%28Cl%29C%28C%28N%29%3DO%29%3DC%28C%28Cl%29%3DC1Cl%29S%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(138402810)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%28O%29C2%3DCC%3DCC%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(75144758)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CSCCCCC%28SC1OC%28CO%29C%28O%29C%28O%29C1O%29%3DNOS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(4479893)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC2%3DCC%3DCC%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(437038)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%3DC%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(417411)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC2%3DCC%3DC%28O%29C%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(415565)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCOS%28%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(8778)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCC%28O%29C%28O%29CCCCCCCC%28%3DO%29OS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(139292071)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%28O%29C%3DC%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(4480096)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%3DCCC%3DCCC%3DCCC%3DCC%3DCC%28O%29CC%3DCCCC%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(53394256)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%5BC%40%40H%5D%28%2FC%3DC%2FC%3DC%5CC%2FC%3DC%5CC%2FC%3DC%5CCCCC%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(5280724)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=ClC1%3DC%28Cl%29C2%28Cl%29C3COS%28%3DO%29%28%3DO%29OCC3C1%28Cl%29C2%28Cl%29Cl'\n",
      "DEBUG:pubchempy:Created Compound(13940)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request data: b'smiles=CC1%3DC%28O%29C%28C%29%3DC2CCC%28C%29%28COC3%3DCC%3DC%28CC4SC%28%3DO%29NC4%3DO%29C%3DC3%29OC2%3DC1C'\n",
      "DEBUG:pubchempy:Created Compound(5591)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCOS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5248)\n"
     ]
    }
   ],
   "source": [
    "spec_postproc(entry, Source=\"all\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "9a2f7217",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "554bff04",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 205,
   "id": "a9480c81",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_pos_03\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(6441487)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(452110)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(24778931)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC1CC1%29COC2%3DCC%3DC3C%28C%3D4C%3DCN%3DC5C%3D6C%3DCC%3DCC6C%28%3DO%29N3C54%29%3DC2CC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(16408086)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29NC%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(2000)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1ccc%28cc1%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29CC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(994)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29CC%28N%29C%28%3DO%29NC%28C%28%3DO%29OC%29CC%3D1C%3DCC%3DCC1'\n",
      "DEBUG:pubchempy:Created Compound(2242)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29N%5BC%40%40H%5D%28Cc1ccccc1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(74839)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C1C%28%3DO%29N%28C%28C%28%3DO%29N%28C%28C%28%3DO%29NCCC%28%3DO%29OC%28C%28%3DO%29N2CCCC2C%28%3DO%29N1%29CC%28C%29C%29C%29C%29C%28C%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(428373)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D1C%28%3DO%29NCCC%28%3DO%29O%5BC%40%40H%5D%28C%28%3DO%29N2CCC%5BC%40H%5D2C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%28%5BC%40H%5D%28C%28%3DO%29N1C%29C%28C%29C%29C%29C%28C%29C%29CC%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(10393416)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C1NC%28%3DO%29C2CCCCN2C%28%3DO%29C%28CC%28C%29C%29OC%28%3DO%29CCNC%28%3DO%29C%28C%29N%28C%29C%28%3DO%29C%28C%28C%29C%29N%28C%29C1%3DO'\n",
      "DEBUG:pubchempy:Created Compound(163079242)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C1C%28%3DO%29N%28C%28C%28%3DO%29N%28C%28C%28%3DO%29NCCC%28%3DO%29OC%28C%28%3DO%29N2CCCC2C%28%3DO%29N1%29CC%3DC%29C%29C%29C%28C%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(122810)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D1C%28%3DO%29NCCC%28%3DO%29O%5BC%40%40H%5D%28C%28%3DO%29N2CCC%5BC%40H%5D2C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%28%5BC%40H%5D%28C%28%3DO%29N1C%29C%28C%29C%29C%29C%28C%29C%29CC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(157382)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C1NC%28%3DO%29C2CCCN2C%28%3DO%29C%28CC2CO2%29OC%28%3DO%29CCNC%28%3DO%29C%28C%29N%28C%29C%28%3DO%29C%28C%28C%29C%29N%28C%29C1%3DO'\n",
      "DEBUG:pubchempy:Created Compound(180070)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29OCC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(439389)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CC1%3DCC%3DC%28O%29C%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DC%28C%3DCC%28%3DC1%29O%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28Cc1ccc%28O%29cc1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29Cc1ccc%28O%29cc1'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(73816622)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1CC%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(43176033)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28C%28%3DO%29O%29N%29CN'\n",
      "DEBUG:pubchempy:Created Compound(389)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_pos_04\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CSCC1OC%28C%28O%29C1O%29%5BN%5D2C%3DNC3%3DC2N%3DCN%3DC3N'\n",
      "DEBUG:pubchempy:Created Compound(149)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC%28%3DCCNC1%3DNC%3DNC2%3DC1N%3DCN2C3OC%28CO%29C%28O%29C3O%29C'\n",
      "DEBUG:pubchempy:Created Compound(5529)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC2%3DC%28C%28%3DN1%29N%29N%3DCN2C3C%28C%28C%28O3%29CO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(191)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%5BC%40%40H%5D%28O1%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1n%28c3%29c%28n2%29c%28n3%29c%28N%29nc2'\n",
      "DEBUG:pubchempy:Created Compound(60961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=Nc1ncnc2n%28cnc12%29C3OC%28C%28O%29C3O%29C%28%3DO%29NC4CC4'\n",
      "DEBUG:pubchempy:Created Compound(1761)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%2FC%28%3DC%5CCNC1%3DNC%3DNC2%3DC1NC%3DN2%29%2FCO'\n",
      "DEBUG:pubchempy:Created Compound(449093)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC2%3DC%28N%29N%3DCNC2%3DN1'\n",
      "DEBUG:pubchempy:Created Compound(190)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CSC%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28O1%29N2C%3DNC3%3DC%28N%3DCN%3DC32%29N%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(439176)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC%28%3DC2C%28%3DN1%29N%28C%3DN2%29%5BC%40H%5D3%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O3%29CO%29O%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(60961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC1%3DNC%3DNC2%3DC1N%3DC%5BN%5D2%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29C%5BC%40H%5D3O'\n",
      "DEBUG:pubchempy:Created Compound(6303)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5CC%28CO%29%3DC%2FCNC1%3DC2N%3DCNC2%3DNC%3DN1'\n",
      "DEBUG:pubchempy:Created Compound(449093)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%5BC%40%40H%5D2%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28O2%29N3C%3DNC4%3DC%28N%3DCN%3DC43%29N%29O%29OP%28%3DO%29%28O1%29O'\n",
      "DEBUG:pubchempy:Created Compound(6076)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCN%28CC%29C1%3DNC%3DNC2%3DC1N%3DCN2C3C%28C%28C%28O3%29CO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(3300105)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC2%3DC%28C%28%3DN1%29N%29N%3DCN2C3C%28C%28C%28O3%29CI%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(4376867)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DCCNC1%3DNC%3DNC2%3DC1N%3DCN2C3C%28C%28C%28O3%29CO%29O%29O%29CO'\n",
      "DEBUG:pubchempy:Created Compound(5529)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28O1%29N2C%3DNC3%3DC%28N%3DCN%3DC32%29N%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(439182)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N1%3DCN%3DC2C1%3DC%28N%3DCN2CC%3DC%28C%29C%29N'\n",
      "DEBUG:pubchempy:Created Compound(135438588)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCC%28CC%28N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO%29%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(137628362)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO%29CCCCCCC%2FC%3DC%5CCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(89825075)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCOC%28%3DO%29C%28N%29Cc1ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(577477)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(791)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6306)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6106)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CC%28NCc1c%28O%29ccc2c%28-c3ccccc3%29cc%28%3DO%29oc12%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(5796946)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CC%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(857)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40%40H%5D%28CC%28C%29C%29C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(7019083)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(9475)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(791)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(94206)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%2FC%3DC%5CC%2FC%3DC%5CC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CC%2FC%3DC%5CCC'\n",
      "DEBUG:pubchempy:Created Compound(24778990)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%28%3DO%29O%5BC%40H%5D%28CC%28%5BO-%5D%29%3DO%29C%5BN%2B%5D%28C%29%28C%29C'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(213144)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1ccc%28Cn2nnnc2SCc2nc3ccccc3%5BnH%5D2%29cc1'\n",
      "DEBUG:pubchempy:Created Compound(45923866)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29%5BC%40%40H%5D%28N%29CCC%2FN%3DC%28%5CN%29N'\n",
      "DEBUG:pubchempy:Created Compound(6322)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28C%28%3DO%29O%29N%29CN%3DC%28N%29N'\n",
      "DEBUG:pubchempy:Created Compound(232)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29CN%3DC%28N%29N'\n",
      "DEBUG:pubchempy:Created Compound(6322)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS200309_Scost_QC_70k_neg_PRM\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%3D1C%3DCC2%3DC%28OC3%3DC2N%3DC4C%28C%3DNN4C%28C%29C%29%3DC3C%3D5C%3DCC%3DCC5OC%29C1'\n",
      "DEBUG:pubchempy:Created Compound(71827319)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%28C%28OC2%3DCC%28%3DCC%28%3DC21%29O%29O%29C3%3DCC%28%3DC%28C%3DC3%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(1203)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC2%3DCC%3DC%28O%29C%3DC12%29C%3D3C%3DCC%28OC%29%3DCC3'\n",
      "DEBUG:pubchempy:Created Compound(688679)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28C%28O1%29%28CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(441036)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40%40H%5D%28C%28O%29O1%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(18950)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40%40H%5D%28C%28%3DO%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(92092)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%5D2%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%29O%29O%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(5988)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29OC%5BC%40%40H%5D2%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28O2%29O%29O%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(11458)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%29O%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(7427)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(79025)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D1OC%28%3DO%29%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%5BC%40%40H%5D2OC%28C%29CC%28C2O%29N%28C%29C%29%5BC%40%5D%28C%5BC%40H%5D%28CN%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%5D1%28C%29O%29O%29C%29C%29C%29%28C%29O'\n",
      "DEBUG:pubchempy:Created Compound(71315587)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCC%28%3DO%29N%5BC%40%40H%5D%28CC1%3DCNC2%3DCC%3DCC%3DC21%29C%28%3DO%29N%5BC%40%40H%5D%28CC%28%3DO%29N%29C%28%3DO%29N%5BC%40%40H%5D%28CC%28%3DO%29O%29C%28%3DO%29N%5BC%40H%5D3%5BC%40H%5D%28OC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40H%5D%28NC%28%3DO%29CNC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29CNC3%3DO%29CCCN%29CC%28%3DO%29O%29C%29CC%28%3DO%29O%29CO%29%5BC%40H%5D%28C%29CC%28%3DO%29O%29CC%28%3DO%29C4%3DCC%3DCC%3DC4N%29C'\n",
      "DEBUG:pubchempy:Created Compound(16134395)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1N%28CCC1%29C%28%5BC%40%40H%5D%28CS%29C%29%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(447055)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DCC%28%3DC1%29CC%5BC%40H%5D%28N%5BC%40H%5D%28C%28N2%5BC%40%40H%5D%28CCC2%29C%28%3DO%29O%29%3DO%29CCCCN%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5362119)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D1OC%28%3DO%29%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%5BC%40H%5D2C%5BC%40%40%5D%28C%29%28OC%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28C%29O2%29%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28C%29C%5BC%40%40H%5D%28%5BC%40H%5D3O%29N%28C%29C%29%5BC%40%40%5D%28C%29%28C%5BC%40%40H%5D%28C%29C%28%3DO%29%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%29%5BC%40%5D1%28C%29O%29OC'\n",
      "DEBUG:pubchempy:Created Compound(84029)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29%5BC%40H%5D%28NC%28%3DO%29c1cc2cc%28Cl%29ccc2n1C%29C%28%3DO%29N3CCC%5BC%40H%5D3C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(16403616)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%5BC%40H%5D%28NC%28%3DO%29c1cc2cc%28Cl%29ccc2n1C%29C%28%3DO%29N3CCC%5BC%40H%5D3C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(11870976)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29%5BC%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D1Cc2c%28%5BnH%5Dc3ccccc23%29C4N1C%28%3DO%29c5ccccc45%29C%28%3DO%29N6CCC%5BC%40%40H%5D6C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(16404250)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%5BC%40H%5D%28NC%28%3DO%29%5BC%40H%5D%28Cc1ccccc1%29n2c%28%3DO%29%5BnH%5Dc3ccccc3c2%3DO%29C%28%3DO%29N4CCC%5BC%40%40H%5D4C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(16404653)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29C%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(1182)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29CC%5BC%40H%5D%28NC%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(439377)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1%3DCC%3DC%28C%3DC1%29C%28C%29NC%28%3DO%29C%28C%28C%29C%29NC%28%3DO%29OC%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(6914821)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28N%28C1%29C%28%3DO%29%5BC%40H%5D%28CC2%3DCC%3DCC%3DC2%29N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(7020642)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28N%28C1%29C%28%3DO%29%5BC%40H%5D%28CC2%3DCC%3DC%28C%3DC2%29O%29N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(9795637)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29%5BC%40H%5D%28O%29C%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4C%5BC%40H%5D%28O%29%5BC%40%40%5D32C'\n",
      "DEBUG:pubchempy:Created Compound(163139385)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29%5BC%40H%5D%28O%29C%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4CC%5BC%40%40%5D32C'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(163166904)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1CCCC1C%28O%29%3DO%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29CC%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4C%5BC%40H%5D%28O%29%5BC%40%40%5D32C'\n",
      "DEBUG:pubchempy:Created Compound(163120360)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29C%5BC%40H%5D%28O%29%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4CC%5BC%40%40%5D32C'\n",
      "DEBUG:pubchempy:Created Compound(163122711)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29%5BC%40%40H%5D%28O%29C%5BC%40%5D5%28%5BH%5D%29C%5BC%40%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40H%5D4CC%5BC%40%40%5D32C%29O'\n",
      "DEBUG:pubchempy:Created Compound(141571142)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4CC%5BC%40%40%5D32C'\n",
      "DEBUG:pubchempy:Created Compound(163166911)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4CC%5BC%40%40%5D32C'\n",
      "DEBUG:pubchempy:Created Compound(163166910)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N1C%28C%28O%29%3DO%29CCC1%29%3DO%29%5BC%40H%5D2CC%5BC%40%40%5D3%28%5BH%5D%29%5BC%40%5D4%28%5BH%5D%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40%5D5%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D5%28C%29%5BC%40H%5D4CC%5BC%40%40%5D32C'\n",
      "DEBUG:pubchempy:Created Compound(163166909)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29%3DCC1C%5BC%40%5D%28C%29%28C%3DC%29C2%3DC%28O1%29C3%3DC%28C%29C%3DCC%3DC3OC2%3DO'\n",
      "DEBUG:pubchempy:Created Compound(45359727)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DCC%28%3DO%29OC%28%5C%5CC%3DC%5C%5CC2%3DCC%3DCC%3DC2%29%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(5273621)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC3OC%28C%3DCC3%3DCC2C%3DC1%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(65188)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C1OC%28OC%3D2C%28%3DO%29C%3D3C%28O%29%3DCC%28O%29%3DCC3OC2C%3D4C%3DCC%28O%29%3DC%28O%29C4%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(12004528)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC2%3DCC%28O%29%3DC%28OC%29C%28O%29%3DC12%29C%3D3C%3DCC%28O%29%3DCC3'\n",
      "DEBUG:pubchempy:Created Compound(5281628)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29CCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(11005)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%28%3DCOC2%3DCC%28O%29%3DC%28OC%29C%3DC12%29C%3D3C%3DCC%28O%29%3DCC3'\n",
      "DEBUG:pubchempy:Created Compound(5317750)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DC%28C%3DC1%29C%3DCC%3D3OC%28CC32%29C%28OC%28%3DO%29C%28%3DCC%29C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(53399217)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%28%3DCC2C%28CC%3DC%28CO%29C%28O%29C3C%28O%29C%28C%29CC13O%29C2%28C%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(137795177)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC2C%28%3DCC%3DC1OC%29C3%3DC%28OC%29C%28OC%29%3DC%28OC%29C%3DC3CCC2NC%28%3DO%29C'\n",
      "DEBUG:pubchempy:Created Compound(2833)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%28C%3DCC%3D2C%3DCC%3DCC2%29%3DCC%28OC%29%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(164901)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=%5BCl-%5D.O%28C%3D1C%3DCC2%3DCC%3D3C4%3DCC%3D5OCOC5C%3DC4CC%5BN%2B%5D3C%3DC2C1OC%29C'\n",
      "DEBUG:pubchempy:Created Compound(12456)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%28C%29CCC3C%28C%29%28C%29CCCC3%28C%29C2C1'\n",
      "DEBUG:pubchempy:Created Compound(61129)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC2C%28%3DCC%3DC1NCCCCCCNC3%3DCC%3DC4C5%3DC%28OC%29C%28OC%29%3DC%28OC%29C%3DC5CCC%28NC%28%3DO%29C%29C4%3DCC3%3DO%29C6%3DC%28OC%29C%28OC%29%3DC%28OC%29C%3DC6CCC2NC%28%3DO%29C'\n",
      "DEBUG:pubchempy:Created Compound(3671134)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC12CCC%28C%29C%28C%29C2C3%3DCCC4C5%28C%29CCC%28O%29C%28C%29%28C%29C5CCC4%28C%29C3%28C%29CC1'\n",
      "DEBUG:pubchempy:Created Compound(3266408)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC2C%28%3DCC%3DC1NC%28C%28%3DO%29N3CC%3D4C%3D5C%3DCC%3DC%28Br%29C5NC4CC3%29C%28C%29C%29C6%3DC%28OC%29C%28OC%29%3DC%28OC%29C%3DC6CCC2NC%28%3DO%29C'\n",
      "DEBUG:pubchempy:Created Compound(162876738)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28NC%28%3DO%29C%28NC%28%3DO%29C1N2C%28%3DO%29C%3D3C%3DCC%3DCC3C2SC1%28C%29C%29CC%28C%29C%29C%28C%29CC'\n",
      "DEBUG:pubchempy:Created Compound(73256507)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%3DC%28O%29CC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28%3DN%29O%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_pos_05\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCC%2FC%3DC%2F%5BC%40H%5D%28%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29NC%28%3DO%29CCCCCCCCCCC%29O'\n",
      "DEBUG:pubchempy:Created Compound(44260123)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(6441487)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(131150)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(24778654)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OCC%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(11365502)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCC%2FC%3DC%2F%5BC%40H%5D%28%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29NC%28%3DO%29CCCCCCCCCCC%29O'\n",
      "DEBUG:pubchempy:Created Compound(44260123)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCOC%5BC%40H%5D%28COP%28%3DO%29%28O%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCC%3DCCC%3DCCC%3DCCC%3DCCC%3DCCC'\n",
      "DEBUG:pubchempy:Created Compound(57369989)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCOCC%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29%2FC%3DC%2FC'\n",
      "DEBUG:pubchempy:Created Compound(45138381)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(24778931)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29SC%28%3DO%29CCCCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(195048)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5497103)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCOP%28%3DO%29%28O%29OP%28%3DO%29%28%5BO-%5D%29OC%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28O1%29n2ccc%28%3DN%29nc2O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(11583971)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC2C%28%3DC1%29C%28%3DCN2%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6305)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC2C%28%3DC1%29C%28%3DCN2%29CC%28C%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(92904)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC%28%3DC2C%28%3DN1%29N%28C%3DN2%29%5BC%40H%5D3%5BC%40H%5D4%5BC%40%40H%5D%28%5BC%40H%5D%28O3%29CO%29OP%28%3DO%29%28O4%29%5BO-%5D%29N'\n",
      "DEBUG:pubchempy:Created Compound(6992262)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC2%3DCC%28OC3OC%28CO%29C%28O%29C%28O%29C3O%29%3DC%28O%29C%28O%29%3DC12%29C%3D4C%3DCC%3DCC4'\n",
      "DEBUG:pubchempy:Created Compound(623002)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C12CCC%28C%29C%28C%29C2C3%3DCCC4C5%28C%29CCC%28O%29C%28C%29%28C%29C5CCC4%28C%29C3%28C%29CC1'\n",
      "DEBUG:pubchempy:Created Compound(220774)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DP%28O%29%28OCCC%28F%29%28F%29C%28F%29%28F%29C%28F%29%28F%29C%28F%29%28F%29C%28F%29%28F%29C%28F%29%28F%29F%29O'\n",
      "DEBUG:pubchempy:Created Compound(14250578)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%28C%28%3DO%29O%29NC%28%3DO%29C1CCCN1'\n",
      "DEBUG:pubchempy:Created Compound(142984)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29O%5BC%40H%5D%28CC%28%3DO%29%5BO-%5D%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(7045767)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29OC%28CC%28%5BO-%5D%29%3DO%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(1)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29OC%28CC%28%3DO%29%5BO-%5D%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(1)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29O%5BC%40H%5D%28CC%28O%29%3DO%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(439756)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_pos_02\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCC%2FC%3DC%5CCCCCCCCC%28%3DO%29OCC%28CO%29O'\n",
      "DEBUG:pubchempy:Created Compound(9883914)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29C1%3DCC%3DCN%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(936)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1cc%28cnc1%29C%28%3DN%29O'\n",
      "DEBUG:pubchempy:Created Compound(936)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCN%3DC1%29C%28%3DO%29N'\n",
      "DEBUG:pubchempy:Created Compound(936)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCC%28%3DO%29OCC%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(620428)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28%3DO%29O%5BC%40H%5D%28CC%28O%29%3DO%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(157837)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28%3DO%29OC%28CC%28%3DO%29%5BO-%5D%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(107738)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28C1%3DCC%3DC%28Br%29C%3DC1%29C2%3DCC%3D3C%3DC%28OC%29C%28OC%29%3DCC3CCN2C'\n",
      "DEBUG:pubchempy:Created Compound(51052301)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28OC1%3DCC%3DC2C%28%3DO%29C%28C%3D3C%3DCC%3D4OCCCOC4C3%29%3DC%28OC2%3DC1C%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(984166)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%28C2%3DCOC%3DC2%29CC3%28C%29C1CCC4%28C%29C3C5OC%28%3DO%29C4%28O%29C%3DC5'\n",
      "DEBUG:pubchempy:Created Compound(226036)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28OC1CC2%28O%29COC3C%3DC%28C%29C%28C4OC%28%3DO%29C%28%3DC%29C14%29C32%29C%28%3DCCO%29C'\n",
      "DEBUG:pubchempy:Created Compound(72953469)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%5BC%40H%5D%28O%29CC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(3032849)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N%5BC%40H%5D%28C%28O%29%3DO%29CCCN%29%3DO%29%5BC%40H%5D1CC%5BC%40%40%5D2%28%5BH%5D%29%5BC%40%5D3%28%5BH%5D%29%5BC%40H%5D%28O%29C%5BC%40%5D4%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D4%28C%29%5BC%40H%5D3C%5BC%40H%5D%28O%29%5BC%40%40%5D21C'\n",
      "DEBUG:pubchempy:Created Compound(163137262)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N%5BC%40H%5D%28C%28O%29%3DO%29CCCN%29%3DO%29%5BC%40H%5D1CC%5BC%40%40%5D2%28%5BH%5D%29%5BC%40%5D3%28%5BH%5D%29%5BC%40H%5D%28O%29C%5BC%40%5D4%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D4%28C%29%5BC%40H%5D3CC%5BC%40%40%5D21C'\n",
      "DEBUG:pubchempy:Created Compound(163181765)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N%5BC%40H%5D%28C%28O%29%3DO%29CCCN%29%3DO%29%5BC%40H%5D1CC%5BC%40%40%5D2%28%5BH%5D%29%5BC%40%5D3%28%5BH%5D%29CC%5BC%40%5D4%28%5BH%5D%29C%5BC%40H%5D%28O%29CC%5BC%40%5D4%28C%29%5BC%40H%5D3C%5BC%40H%5D%28O%29%5BC%40%40%5D21C'\n",
      "DEBUG:pubchempy:Created Compound(163139693)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28N%5BC%40H%5D%28C%28O%29%3DO%29CCCN%29%3DO%29%5BC%40H%5D1CC%5BC%40%40%5D2%28%5BH%5D%29%5BC%40%5D3%28%5BH%5D%29%5BC%40%40H%5D%28O%29C%5BC%40%5D4%28%5BH%5D%29C%5BC%40%40H%5D%28CC%5BC%40%5D4%28C%29%5BC%40H%5D3CC%5BC%40%40%5D21C%29O'\n",
      "DEBUG:pubchempy:Created Compound(163181766)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28NC%28CCCN%29C%28O%29%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(23435095)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28CCCN%29C%28O%29%3DO%29CCCCCCCCC%3DCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28CCCN%29C%28O%29%3DO%29CCCCCCCCC%3DCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCC%28NC%28CCCN%29C%28O%29%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCCC%28NC%28CCCN%29C%28O%29%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCCCCCCCC%28NC%28CCCN%29C%28O%29%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28CCCN%29C%28O%29%3DO%29CCCCCCCC%3DCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28CCCN%29C%28O%29%3DO%29CCCCCCCCC%3DCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28C%3DCC1%3DCC%3DC%28O%29C%28O%29%3DC1%29C2%3DCC%3DC%28O%29C%3DC2O'\n",
      "DEBUG:pubchempy:Created Compound(2483)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%2FC%28%3DN%2F%5BC%40%40H%5D%28CCCN%29C%28%3DO%29O%29%2FO'\n",
      "DEBUG:pubchempy:Created Compound(439232)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29C%5BC%40H%5D%28O%29CC%28%5BO-%5D%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(10917)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29C%5BC%40H%5D%28O%29CC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(10918)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_neg_03\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COCCOC%28%3DO%29c1c%28C%29n%28CCOc2cccc%28Cl%29c2Cl%29c2c1cc%28O%29c1ccccc12'\n",
      "DEBUG:pubchempy:Created Compound(17138706)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC2C%28%3DC1%29N%3DNN2Cl'\n",
      "DEBUG:pubchempy:Created Compound(88761)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCOS%28%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(8778)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=ClC1%3DC%28Cl%29C2%28Cl%29C3COS%28%3DO%29%28%3DO%29OCC3C1%28Cl%29C2%28Cl%29Cl'\n",
      "DEBUG:pubchempy:Created Compound(13940)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28C%28CC3C2CCC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(53462088)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_neg_04\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CO%5BC%40H%5D1%5CC%3DC%5CC%3DC%28C%29%5CC%5BC%40H%5D%28C%29%5BC%40H%5D%28O%29%5BC%40H%5D%28C%29%5CC%3DC%28C%29%5CC%3DC%28OC%29%5CC%28%3DO%29O%5BC%40%40H%5D1%5BC%40%40H%5D%28C%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28C%29C%28%3DO%29%5CC%3DC%5C%5BC%40H%5D%28C%29%5BC%40H%5D%28O%29C%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(23757106)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCOS%28%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(8778)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=ClC1%3DC%28Cl%29C2%28Cl%29C3COS%28%3DO%29%28%3DO%29OCC3C1%28Cl%29C2%28Cl%29Cl'\n",
      "DEBUG:pubchempy:Created Compound(13940)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28C%28CC3C2CCC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(53462088)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1%3DC%28O%29C%28C%29%3DC2CCC%28C%29%28COC3%3DCC%3DC%28CC4SC%28%3DO%29NC4%3DO%29C%3DC3%29OC2%3DC1C'\n",
      "DEBUG:pubchempy:Created Compound(5591)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28CCC3C2CCC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(4388803)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28C%3DCC%28%3DC1%29%2FC%3DC%2FC%28%3DO%29CC%28%3DO%29%2FC%3DC%2FC2%3DCC%28%3DC%28C%3DC2%29O%29OC%29O'\n",
      "DEBUG:pubchempy:Created Compound(969516)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29N%5BC%40%40H%5D%28C%3DO%29%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28CO%29O%29OS%28%3DO%29%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(170758)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40H%5D1%5BC%40H%5D%28O%29O%5BC%40H%5D%28COS%28O%29%28%3DO%29%3DO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(72361)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(135191)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40H%5D1%5BC%40H%5D%28O%29O%5BC%40H%5D%28COS%28%3DO%29%28%3DO%29O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D1O'\n",
      "DEBUG:pubchempy:Created Compound(72361)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29C1%3DC%28C%28Cl%29%3DC%28Cl%29C%28C%23N%29%3DC1Cl%29S%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(138402812)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29C1%3DC%28Cl%29C%28C%28N%29%3DO%29%3DC%28C%28Cl%29%3DC1Cl%29S%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(138402810)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%28O%29C2%3DCC%3DCC%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(75144758)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CSCCCCC%28SC1OC%28CO%29C%28O%29C%28O%29C1O%29%3DNOS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(4479893)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC2%3DCC%3DCC%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(437038)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC2%3DCC%3DC%28O%29C%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(415565)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2CC3%28C%29C%28CCC%28%3DO%29C%29C3CC2C1%3DC'\n",
      "DEBUG:pubchempy:Created Compound(321484)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1%3DC2C%28COC2%3DO%29%3DC%28C%29C%28OC%29%3DC1C%2FC%3DC%28CCC%28OC%29%3DO%29%5CC'\n",
      "DEBUG:pubchempy:Created Compound(6478685)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc%28c%28OC%29c1%29cc%28C%3DC2%29c1OC2%3DO'\n",
      "DEBUG:pubchempy:Created Compound(8417)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC%28CC%28OC%29C1%3DC%28O%29C2%3DC%28C%3DC%28C%29OC2%3DO%29C%3DC1O%29C%28%3DO%29OC'\n",
      "DEBUG:pubchempy:Created Compound(23874476)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%40H%5D1O%5BC%40%40H%5D%28Oc2c%28oc3cc%28O%29cc%28O%29c3c2%3DO%29c4ccc%28O%29c%28O%29c4%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O.O'\n",
      "DEBUG:pubchempy:Created Compound(16219923)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28C%29O%5BC%40%40H%5D1%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28COC%28%3DO%29C%29O%5BC%40H%5D1Oc1cc2oc%28C%29cc%28%3DO%29c2c%28O%29c1C'\n",
      "DEBUG:pubchempy:Created Compound(138756223)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=Cc1cc%28%3DO%29c2c%28c%28C%29c%28O%5BC%40H%5D3%5BC%40H%5D%28OC%28%3DO%29C%29%5BC%40%40H%5D%28OC%28%3DO%29C%29%5BC%40H%5D%28OC%28%3DO%29C%29%5BC%40%40H%5D%28COC%28%3DO%29C%29O3%29cc2O%29o1'\n",
      "DEBUG:pubchempy:Created Compound(138756197)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC%28%3DO%29C1%3DC%28N%29Oc2c%28oc%28CO%29cc2%3DO%29C1c1ccccc1F'\n",
      "DEBUG:pubchempy:Created Compound(3981951)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28OCC%29C%3DCC1%3DCC%3DC%28OC%29C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(74728)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28CCC1%3DCC%3DC%28O%29C%28OC%29%3DC1%29CC%28O%29CCCCC'\n",
      "DEBUG:pubchempy:Created Compound(3473)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%28C1%3DCC%3DC%28C%3DC1OC%29C2OC%28C3%3DCC%3DC%28OC%29C%28OC%29%3DC3%29C%28C%29C2C%29C'\n",
      "DEBUG:pubchempy:Created Compound(609882)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DCC%28OC%29%3DCC%28OC%29%3DC2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(2775)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DCN%28C%28%3DO%29N1%29C2OC%28CO%29C%28O%29C2O'\n",
      "DEBUG:pubchempy:Created Compound(1177)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%28OC%29%3DC%28OC%29C%3DCC2C%3DC1'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(142768)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC%28OC%29C%28OC%29%3DCC2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(8417)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C12CCC%28C%29%28C%29CC2C3%3DCCC4C5%28C%29CC%28O%29C%28O%29C%28C%29%28C%29C5CCC4%28C%29C3%28C%29CC1'\n",
      "DEBUG:pubchempy:Created Compound(3694932)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1CCC2%28C%29C%28CCC3%28C%29C2CC%3DC4C5C%28C%29C%28C%29CCC5%28C%29CCC43C%29C1%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(225688)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC%28O%29C%28%3DCC2C%3DC1%29CC%28O%29C%28O%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(5374451)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C2%3DCC%3DC%28O%29C%3DC2OC%28C3%3DCC%3DC%28O%29C%28O%29%3DC3%29C1'\n",
      "DEBUG:pubchempy:Created Compound(3496769)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC3OC%3DCC3%3DC%28OCC%3DC%28C%29CC%28O%29C%3DC%28C%29C%29C2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(3086274)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C2%3DCC%28O%29%3DC%28OC%29C%28O%29%3DC2C%28%3DO%29C%3D3C%28OC%29%3DC%28O%29C%28%3DCC13%29C'\n",
      "DEBUG:pubchempy:Created Compound(155011)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1C%28C%28C%28C%28O1%29OCC2C%28C%28C%28C%28O2%29OC3%3DC%28OC4%3DCC%28%3DCC%28%3DC4C3%3DO%29O%29O%29C5%3DCC%28%3DC%28C%3DC5%29O%29O%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(5293655)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DC%28C%3DC1C2%3DC%28C%28%3DO%29C3%3DC%28C%3DC%28C%3DC3O2%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(5280343)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1%3DC%28C%28%3DC%28C2%3DC1COC2%3DO%29O%29C%2FC%3DC%28%5CC%29%2FCCC%28%3DO%29O%29OC'\n",
      "DEBUG:pubchempy:Created Compound(446541)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%28C%3DCC2%3DCC%3DC%28OC%29C%3DC2%29%3DCC%28OC%29%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(10375)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2C%28CCC3%28C%28%3DO%29C%3DCC%28O%29%28C%29C23%29C%29C1C'\n",
      "DEBUG:pubchempy:Created Compound(619337)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=n1%28c%28nc2c1cccc2%29c1cc%28c2c%28n%28c%28CCC%29n2%29Cc2ccc%28cc2%29c2c%28cccc2%29C%28O%29%3DO%29c1%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(65999)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29CO'\n",
      "DEBUG:pubchempy:Created Compound(10690)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS200309_Scost_QC_70k_pos_PRM\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCC%2FC%3DC%5CC%2FC%3DC%5CC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(16219824)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5497103)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5288075)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5497103)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CC1%3DCC%3DC%28O%29C%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DC%28C%3DCC%28%3DC1%29O%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28Cc1ccc%28O%29cc1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1CC%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(43176033)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29Cc1ccc%28O%29cc1'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(43125313)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(21319986)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(66584540)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(66687717)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(73816622)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1cc%28ccc1C%5BC%40%40H%5D%28C%28%3DO%29O%29NC%28%3DO%29CN%29O'\n",
      "DEBUG:pubchempy:Created Compound(92829)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(71466393)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(78419956)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCCC%3DC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29CCC%28%3DO%29NC%28C%28%3DO%29O%29CC1%3DCC%3DC%28O%29C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(5056755)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1cc%28ccc1C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCCCC%3DC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(78419976)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCC%3DCCC%3DCCC%3DCCC%3DCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(18767396)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(17776548)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(389046)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(78419981)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCC%3DCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(53437866)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(3017091)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29N%5BC%40%40H%5D%28Cc1ccc%28cc1%29O%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(68310)\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCCCCC%3DCCC%3DCCC%3DCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29SC%28%3DO%29CCCCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(195048)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5497103)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(24778764)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29C%5BC%40H%5D%28O%29CC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(10918)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29C%5BC%40%40H%5D%28CC%28%3DO%29%5BO-%5D%29O'\n",
      "DEBUG:pubchempy:Created Compound(10917)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CC%28CC%28%3DO%29%5BO-%5D%29O'\n",
      "DEBUG:pubchempy:Created Compound(288)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC%28%3DO%29c1cccnc1'\n",
      "DEBUG:pubchempy:Created Compound(7151)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC1C%28OC2%3DCC%3DC%28C%3DC2%29C%28C%29CC%29OC%28CO%29C%28O%29C1O%29C'\n",
      "DEBUG:pubchempy:Created Compound(3153359)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCOC%28%3DO%29C1%3DCC%3DC%28C%3DC1%29N'\n",
      "DEBUG:pubchempy:Created Compound(2337)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D1%3DCC%28%3DCC%3DC1%29C%28%3DO%29%5BO-%5D'\n",
      "DEBUG:pubchempy:Created Compound(5570)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%3DC%28CO%29C1Cc2c%28ccc3c2OC2COc4cc%28OC%29c%28OC%29cc4C2C3%3DO%29O1'\n",
      "DEBUG:pubchempy:Created Compound(4342730)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC1CC1%29COC2%3DCC%3DC3C%28C%3D4C%3DCN%3DC5C%3D6C%3DCC%3DCC6C%28%3DO%29N3C54%29%3DC2CC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(16408086)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29CC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(994)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29CC%28N%29C%28%3DO%29NC%28C%28%3DO%29OC%29CC%3D1C%3DCC%3DCC1'\n",
      "DEBUG:pubchempy:Created Compound(2242)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%28CC1%3DCNC2%3DCC%3DCC%3DC12%29%3DN%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(644227)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29N%5BC%40%40H%5D%28Cc1ccccc1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(74839)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29NC%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(2000)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC1CC1%29COC2%3DCC%3DC3C%28C%3D4C%3DCN%3DC5C%3D6C%3DCC%3DCC6C%28%3DO%29N3C54%29%3DC2CC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(16408086)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1ccc%28cc1%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29CC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(994)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC%28%3DO%29C%28CC1%3DCC%3DCC%3DC1%29NC%28%3DO%29C%28CC%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(2242)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29NC%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(2000)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC1CC1%29COC2%3DCC%3DC3C%28C%3D4C%3DCN%3DC5C%3D6C%3DCC%3DCC6C%28%3DO%29N3C54%29%3DC2CC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(16408086)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1ccc%28cc1%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29CC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(994)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28N%29C%28%3DO%29N%5BC%40%40H%5D%28Cc1ccccc1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(96814)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%3DC%28C%3DC1%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC%28%3DO%29C%28CC1%3DCC%3DCC%3DC1%29NC%28%3DO%29C%28CC%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(2242)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCOC%28%3DO%29C%28N%29Cc1ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(413339)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%40H%5D1CC2%3DC%28C%3DC%28C%28%3DC2C%28%3DO%29O1%29O%29C%28%3DO%29N%5BC%40%40H%5D%28CC3%3DCC%3DCC%3DC3%29C%28%3DO%29O%29Cl'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(442530)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CCCCCCCCCCCCC%28%3DO%29NC%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(102571592)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1%28C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1O%2FC%28%3DC%28%2FC%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29O%29Cc2ccccc2%29%5Cc2ccccc2%29%2FC%28%3DC1c1ccccc1%29O'\n",
      "DEBUG:pubchempy:Created Compound(139292154)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO%29CCCCCCC%2FC%3DC%5CCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(89825075)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCOC%28%3DO%29C%28N%29Cc1ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(413339)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%40H%5D1CC2%3DC%28C%3DC%28C%28%3DC2C%28%3DO%29O1%29O%29C%28%3DO%29N%5BC%40%40H%5D%28CC3%3DCC%3DCC%3DC3%29C%28%3DO%29O%29Cl'\n",
      "DEBUG:pubchempy:Created Compound(442530)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CCCCCCCCCCCCC%28%3DO%29NC%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(102571592)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1%28C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(6140)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1O%2FC%28%3DC%28%2FC%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29O%29Cc2ccccc2%29%5Cc2ccccc2%29%2FC%28%3DC1c1ccccc1%29O'\n",
      "DEBUG:pubchempy:Created Compound(139292154)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28N%5BC%40%40H%5D%28CC1%3DCC%3DCC%3DC1%29C%28O%29%3DO%29CCCCCCC%2FC%3DC%5CCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(89825075)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCOC%28%3DO%29C%28N%29Cc1ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(577477)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%40H%5D1CC2%3DC%28C%3DC%28C%28%3DC2C%28%3DO%29O1%29O%29C%28%3DO%29N%5BC%40%40H%5D%28CC3%3DCC%3DCC%3DC3%29C%28%3DO%29O%29Cl'\n",
      "DEBUG:pubchempy:Created Compound(442530)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1O%2FC%28%3DC%28%2FC%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29O%29Cc2ccccc2%29%5Cc2ccccc2%29%2FC%28%3DC1c1ccccc1%29O'\n",
      "DEBUG:pubchempy:Created Compound(139292154)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(791)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CC%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(857)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6306)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6106)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(791)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(94206)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(99288)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CC%28NCc1c%28O%29ccc2c%28-c3ccccc3%29cc%28%3DO%29oc12%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(5796946)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40%40H%5D%28CC%28C%29C%29C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(7019083)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(9475)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28CC%28CC1%3DNCC%28%3DO%29O%29%28CO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(16047608)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DC%28C%28OC%29%3DCC%3D3OC%28C%29%28C%29CCC32%29C%28%3DC1CC%28%3DO%29NC4%3DNC%3DCC%3DC4%29C'\n",
      "DEBUG:pubchempy:Created Compound(17572211)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%3Dc1nc%28O%29c2ncn%28%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D3O%29c2%5BnH%5D1'\n",
      "DEBUG:pubchempy:Created Compound(135398635)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC2%3DC%28N1%5BC%40H%5D3%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O3%29CO%29O%29O%29N%3DC%28NC2%3DO%29N'\n",
      "DEBUG:pubchempy:Created Compound(135398635)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28N2C%3DNC3%3DC2NC%28%3DN%29N%3DC3O%29O1%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(135398635)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DNC2%3DC%28N1C3C%28C%28C%28O3%29CO%29O%29O%29NC%28%3DNC2%3DO%29N'\n",
      "DEBUG:pubchempy:Created Compound(135402034)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request data: b'smiles=NC1%3DNC2%3DC%28N%3DCN2%5BC%40%40H%5D2O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D2O%29C%28%3DO%29N1'\n",
      "DEBUG:pubchempy:Created Compound(135398635)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCC'\n",
      "DEBUG:pubchempy:Created Compound(24778648)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OCC%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCCC%28%3DO%29C%3DCC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(53394014)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%3D1C%3DC%28O%29C%3D2C%3DC%28O%29C%28%3D%5BO%2B%5DC2C1%29C%3D3C%3DCC%28O%29%3DC%28O%29C3'\n",
      "DEBUG:pubchempy:Created Compound(128861)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28O%29%3DN%5BC%40%40H%5D%28CC%28%3DN%29O%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(99715)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CO%29NCCO'\n",
      "DEBUG:pubchempy:Created Compound(8113)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29O'\n",
      "DEBUG:pubchempy:Created Compound(460604)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%2FACCCCCCCC%2FC%3DC%5C%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BNH3%2B%5D%29OC%28%3DO%29CCCCCCC%2FC%3DC%5C%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5497103)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5288075)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(6441487)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(24778933)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCOC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29C'\n",
      "DEBUG:pubchempy:Created Compound(108156)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29O'\n",
      "DEBUG:pubchempy:Created Compound(16081932)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(6441487)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(452110)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(24778931)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(3082163)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(24778931)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5497103)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29SC%28%3DO%29CCCCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(195048)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCCCCC%28%3DO%29OC%5BC%40H%5D%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCC%2FC%3DC%5CC%2FC%3DC%5CCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(5288075)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D%28COC%28%3DO%29CCCCCCC%2FC%3DC%5CCCCCCCCC%29COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(24778933)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCC%28%3DO%29OCC%28COP%28%3DO%29%28%5BO-%5D%29OCC%5BN%2B%5D%28C%29%28C%29C%29OC%28%3DO%29CCCCCCCC%28%3DO%29C%3DCC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(53394014)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(791)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CC%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(857)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6306)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6106)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28C%29C%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(791)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28N%29C%28O%29%3DO'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(94206)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(99288)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29CC%28NCc1c%28O%29ccc2c%28-c3ccccc3%29cc%28%3DO%29oc12%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(5796946)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%5BC%40H%5D%28C%29%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40%40H%5D%28CC%28C%29C%29C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(7019083)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCC%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(9475)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(21236)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/JSON\n",
      "DEBUG:pubchempy:Request data: b'name=1%2C4-dihydroxy-6%2C6%2C9a-trimethyl-4%2C5%2C5a%2C7%2C8%2C9-hexahydro-1H-benzo'\n",
      "INFO:pubchempy:'PUGREST.NotFound: No CID found that matches the given name'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/JSON\n",
      "DEBUG:pubchempy:Request data: b'name=e%5D'\n",
      "INFO:pubchempy:'PUGREST.NotFound: No CID found that matches the given name'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29OP%28%3DO%29%28O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(65533)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC%3D2C%28OC%29%3DC%28OC%29C%28OC%29%3DC%28OC%29C12%29C%3D3C%3DCC%28OC%29%3DC%28O%29C3'\n",
      "DEBUG:pubchempy:Created Compound(183466)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%28%3DCOC%3D2C%3DC3OCOC3%3DC%28OC%29C12%29C%3D4C%3DC%28OC%29C%28OC%29%3DC%28OC%29C4'\n",
      "DEBUG:pubchempy:Created Compound(170569)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C2%3DC%28O%29C%3DC%28O%29C%28%3DC2OC%28C%3D3C%3DCC%28O%29%3DCC3O%29%3DC1CC%3DC%28C%29C%29C4C%3DC%28C%29CC%28C5%3DCC%3DC%28O%29C%3DC5O%29C4C%28%3DO%29C6%3DCC%3DC%28O%29C%28%3DC6O%29CC%3DC%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(6138419)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC2%3DC%28OC%29C%28OC%29%3DC%28OC%29C%28O%29%3DC12%29C%3D3C%3DCC%28OC%29%3DC%28OC%29C3'\n",
      "DEBUG:pubchempy:Created Compound(358832)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CCNC%28%3DO%29N%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(65072)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CCN%5BC%40%40H%5D%28C1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(439227)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CCN%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(5962)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28C%5BC%40H%5D%28C%28%3DO%29O%29N%29CN'\n",
      "DEBUG:pubchempy:Created Compound(71082)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(145742)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CC%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(614)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%28%3DO%29%5BC%40H%5D1CCCN1'\n",
      "DEBUG:pubchempy:Created Compound(8988)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C1NCCC1'\n",
      "DEBUG:pubchempy:Created Compound(614)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28N%28C1%29C%28%3DO%29%5BC%40H%5D%28CC2%3DCC%3DC%28C%3DC2%29O%29N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(9795637)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28NC1%29C%28%3DO%29N%5BC%40%40H%5D%28CC2%3DCC%3DCC%3DC2%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(6351946)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%5BC%40%40H%5D%28C%28%3DO%29O%29NC%28%3DO%29%5BC%40%40H%5D1CCCN1'\n",
      "DEBUG:pubchempy:Created Compound(444109)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%28C%28%3DO%29O%29NC%28%3DO%29C1CCCN1'\n",
      "DEBUG:pubchempy:Created Compound(142984)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CC%28N%28C1%29C%28%3DO%29C%28CC2%3DCC%3DC%28C%3DC2%29O%29N%29C%28%3DO%29NC%28CC3%3DCC%3DCC%3DC3%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(4670740)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28N%28C1%29C%28%3DO%29%5BC%40H%5D%28CC2%3DCC%3DCC%3DC2%29N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(7020642)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6287)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28%3DO%29N1CCCC1C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(3614637)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29%5BC%40%40H%5D1CCCN1'\n",
      "DEBUG:pubchempy:Created Compound(145742)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NCCCC%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(389)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NCCC%5BC%40%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(71082)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NCCC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(6262)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CN%28C%29c1cccc2c%28S%28%3DO%29%28%3DO%29NC%28CCCNC%28%3DN%29N%29C%28%3DO%29O%29cccc12'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(119895)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CN1CC%28C%28O%29%3DNC2%28C%29OC3%28O%29C4CCCN4C%28%3DO%29C%28Cc4ccccc4%29N3C2%3DO%29CC2c3cccc4%5BnH%5Dcc%28c34%29CC21'\n",
      "DEBUG:pubchempy:Created Compound(3066)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=Cc1cc2c%28cc1S%28%3DO%29%28%3DO%29N1CCCC1C%28%3DO%29O%29N%3DC%28O%29CO2'\n",
      "DEBUG:pubchempy:Created Compound(17175025)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CC1%3DCC%3DC%28O%29C%3DC1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DC%28C%3DCC%28%3DC1%29O%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28Cc1ccc%28O%29cc1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1CC%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29Cc1ccc%28O%29cc1'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(43125313)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(21319986)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(43355180)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(66584540)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(66687717)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(69101746)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DC'\n",
      "DEBUG:pubchempy:Created Compound(73816622)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29CC1%3DCC%3DC%28O%29C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(1153)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1cc%28ccc1C%5BC%40%40H%5D%28C%28%3DO%29O%29NC%28%3DO%29CN%29O'\n",
      "DEBUG:pubchempy:Created Compound(92829)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(71466393)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29CCC%28%3DO%29NC%28C%28%3DO%29O%29CC1%3DCC%3DC%28O%29C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(5056755)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1cc%28ccc1C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29O'\n",
      "DEBUG:pubchempy:Created Compound(6057)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCC%3DCCC%3DCCC%3DCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCC%3DCCC%3DCCC%3DCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(78419947)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(17776548)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCC%3DCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(78420002)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(78420135)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCC%3DCCC%3DCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(78420007)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(3017091)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCCC%3DCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(78420005)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCC%3DCCC%3DCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(85060760)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCCCCC%3DCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCCCCCCCCCCC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NC%28C%28O%29%3DO%29CC1%3DCC%3DC%28O%29C%3DC1%29CCCCCCCCCCCCC%3DCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound()\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29C%28C%28%3DO%29O%29NC%28%3DO%29C1CCCN1'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(142984)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28%3DO%29OC%28CC%28%3DO%29%5BO-%5D%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(107738)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28%3DO%29O%5BC%40H%5D%28CC%28O%29%3DO%29C%5BN%2B%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(157837)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D2O%29O%29O%5BC%40%40H%5D3%5BC%40H%5D%28OC%28%5BC%40%40H%5D%28%5BC%40H%5D3O%29O%29O%29CO%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(439586)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1ccc%28cc1%29%5BC%40H%5D%28C%23N%29O%5BC%40H%5D2%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%5BC%40H%5D3%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O3%29CO%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(656516)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%29O%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(7427)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%23CC%28OC1OC%28COC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O%29c1ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(2180)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D2O%29O%29O%5BC%40%40H%5D3%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D3O%29O%29O%5BC%40%40H%5D4%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D4O%29O%29O%5BC%40H%5D%28%5BC%40%40H%5D%28CO%29O%29%5BC%40%40H%5D%28%5BC%40H%5D%28C%3DO%29O%29O%29CO%29CO%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(124005)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D2O%29O%29O%5BC%40%40H%5D3%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D3O%29O%29O%5BC%40%40H%5D4%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D4O%29O%29O%29CO%29CO%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(446495)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D2O%29O%29O%5BC%40%40H%5D3%5BC%40H%5D%28OC%28%5BC%40%40H%5D%28%5BC%40H%5D3O%29O%29O%29CO%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(439586)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=c1ccc%28cc1%29%5BC%40H%5D%28C%23N%29O%5BC%40H%5D2%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%5BC%40H%5D3%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O3%29CO%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(656516)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%29O%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(7427)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%23CC%28OC1OC%28COC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28O%29C%28O%29C1O%29c1ccccc1'\n",
      "DEBUG:pubchempy:Created Compound(2180)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D2O%29O%29O%5BC%40%40H%5D3%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D3O%29O%29O%5BC%40%40H%5D4%5BC%40H%5D%28O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D4O%29O%29O%5BC%40H%5D%28%5BC%40%40H%5D%28CO%29O%29%5BC%40%40H%5D%28%5BC%40H%5D%28C%3DO%29O%29O%29CO%29CO%29CO%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(124005)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28%5BC%40%40H%5D1%5BC%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28%5BC%40H%5D%28O1%29O%5BC%40%40H%5D2%5BC%40%40H%5D%28CO%29O%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D2O%29O%29O%5BC%40%40H%5D3%5BC%40%40H%5D%28CO%29OC%28%5BC%40%40H%5D%28%5BC%40H%5D3O%29O%29O%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(439586)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%28%3DCOC%3D2C%3D3C%3DCC%28OC3C%28%3DC%28O%29C12%29CC%3DC%28C%29C%29%28C%29C%29C%3D4C%3DCC%28O%29%3DC%28O%29C4'\n",
      "DEBUG:pubchempy:Created Compound(4871)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DCC%28O%29C%28O%29C%28O%29C%28O%29COC1OC%28CO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(219994)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29%3DCCC1%3DC%28O%29C2%3DC%28OC%3DC%28C2%3DO%29C3%3DCC%28O%29%3DC%28O%29C%3DC3%29C4%3DC1OC%28C%29%28C%29C%3DC4'\n",
      "DEBUG:pubchempy:Created Compound(4871)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29%28%5BC%40H%5D%28CC%3DC%28C%29C%29C%5BC%40%5D%28C%5BC%40H%5D%28CC%3DC%28C%29C%29C%28C%29%28C%29O1%29%28C2%3DO%29C1%3DC1C%28c%28cc3%29cc%28O%29c3O%29%3DO%29%5BC%40%5D2%28CC%3DC%28C%29C%29C1%3DO'\n",
      "DEBUG:pubchempy:Created Compound(14282766)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc1ccc2c%28%3DO%29cc%28-c3cc%28OC%29c%28OC%29c%28OC%29c3%29oc2c1'\n",
      "DEBUG:pubchempy:Created Compound(688813)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc1ccc2oc%28-c3ccc%28OC%29c%28OC%29c3%29c%28OC%29c%28%3DO%29c2c1'\n",
      "DEBUG:pubchempy:Created Compound(688812)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc1cccc%28C%28%3DO%29C%3DCc2cc%28OC%29c3c%28c2OC%29OCO3%29c1'\n",
      "DEBUG:pubchempy:Created Compound(72168591)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc1cccc%28C%28%3DO%29CC2OC%28%3DO%29c3c2ccc%28OC%29c3OC%29c1'\n",
      "DEBUG:pubchempy:Created Compound(16433330)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc1ccc%28-c2coc3cc%28OC%29c%28OC%29cc3c2%3DO%29cc1OC'\n",
      "DEBUG:pubchempy:Created Compound(631176)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC%3DCC1%3DCC%3DC%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29C%28OC%29%3DC1'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(3496897)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC%3D2C%28OC%29%3DC%28OC%29C%3DC%28OC%29C12%29C%3D3C%3DCC%28OC%29%3DCC3'\n",
      "DEBUG:pubchempy:Created Compound(629964)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC%3D2C%3DC%28OC%29C%28OC%29%3DC%28OC%29C12%29C%3D3C%3DCC%28OC%29%3DCC3'\n",
      "DEBUG:pubchempy:Created Compound(96118)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C1%3DCOC%28OC2OC%28CO%29C%28O%29C%28O%29C2O%29C3C1C%28O%29CC3%28O%29C'\n",
      "DEBUG:pubchempy:Created Compound(14378605)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3D2C%28O%29%3DCC%28O%29%3DCC2OC%28C%3D3C%3DCC%28O%29%3DC4C%3DCC%28OC43%29%28C%29C%29%3DC1CC%3DC%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(44258296)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28OC1%3DCC%3D2OC%28%3DC%28C%28%3DO%29C2C%3DC1CC%29C%3D3C%3DCC%3D4OCOC4C3%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(984173)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28OC1C%28O%29C%28O%29C%28OC1C2%3DC%28OC%29C%3DC%28C%3D3C%28%3DO%29C%3DC%28OC32%29CC%28O%29C%29C%29CO%29C%3DCC4%3DCC%3DC%28O%29C%3DC4'\n",
      "DEBUG:pubchempy:Created Compound(73806251)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C2%3DCC%3DC%28O%29C%3DC2OC%28C3%3DCC%3DC%28OC4OC%28CO%29C%28O%29C%28O%29C4OC5OCC%28O%29%28CO%29C5O%29C%3DC3%29C1'\n",
      "DEBUG:pubchempy:Created Compound(45360052)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC2%3DCC%28O%29%3DC%28OC%29C%28O%29%3DC12%29C%3D3C%3DC%28O%29C%28OC%29%3DC%28OC%29C3'\n",
      "DEBUG:pubchempy:Created Compound(5496475)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%28OC2OC%28CO%29C%28O%29C%28O%29C2OC3OC%28CO%29C%28O%29C%28O%29C3O%29%3DC%28OC%3D4C%3DC%28O%29C%3DC%28O%29C14%29C%3D5C%3DCC%28O%29%3DC%28O%29C5'\n",
      "DEBUG:pubchempy:Created Compound(14185727)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DCC%28O%29%3DC3C%28%3DO%29C%28%3DCOC3%3DC2C%28C%3D4C%3DC5C%3DC%28OC%29C%3DCC5%3DNC4O%29C1%29C%3D6C%3DCC%28Cl%29%3DCC6'\n",
      "DEBUG:pubchempy:Created Compound(110207834)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%28C1%3DCC%3DC%28C%3DC1OC%29C2OCC3C%28OCC23%29C4%3DCC%3DC%28OC%29C%28OC%29%3DC4%29C'\n",
      "DEBUG:pubchempy:Created Compound(234823)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%3D1C%3DCC2%3DC%28OC3%3DC2N%3DC4C%28C%3DNN4C%28C%29C%29%3DC3C%3D5C%3DCC%3DCC5OC%29C1'\n",
      "DEBUG:pubchempy:Created Compound(71827319)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DCC%3DCC2C%28O%29%3DC1C3C4%3DC%28OC%29C%3D5OCOC5C%3DC4CCN3C'\n",
      "DEBUG:pubchempy:Created Compound(54682401)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28C%28%3DO%29O%29N%29CN'\n",
      "DEBUG:pubchempy:Created Compound(389)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CC%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(614)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40%40H%5D%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(8988)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(145742)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28%3DO%29N%29C%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(738)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29CC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%3DC%28O%29CC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28%3DN%29O%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40H%5D%28CCC%28N%29%3DO%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(145815)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CCC%28N%29%3DO%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28%3DO%29N%29C%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(738)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=NC%28%3DO%29CC%5BC%40H%5D%28N%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%3DC%28O%29CC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28%3DN%29O%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40H%5D%28CCC%28N%29%3DO%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(145815)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=N%5BC%40%40H%5D%28CCC%28N%29%3DO%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28%3DO%29N%29%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(5961)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3D2C%3DCC%3DC%28OC3OC%28CO%29C%28O%29C%28O%29C3O%29C2C%28%3DO%29C4%3DC%28O%29C%3DC%28C%3DC14%29C'\n",
      "DEBUG:pubchempy:Created Compound(4483734)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28C%29CC%28%3DO%29CC%28C%29C1CC%28%3DO%29C2%28C3%3DC%28C%28%3DO%29C%28O%29C12C%29C4%28C%29CCC%28O%29C%28C%29%28C%29C4CC3O%29C'\n",
      "DEBUG:pubchempy:Created Compound(73657193)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1%3DCC%28%3DC%28C2%3DC1C%28%3DCC%28%3DO%29O2%29OC%29C3%3DC%28C%3DC%28C4%3DC3OC%28%3DO%29C%3DC4OC%29C%29OC%29OC'\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Created Compound(34059)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1C%3D2C%3DC%28OC%29C%28OC%29%3DC%28OC%29C2C3%3DC%28OC%29C%3D4OCOC4C%3DC3CC%28C%29C1C'\n",
      "DEBUG:pubchempy:Created Compound(634472)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28C%28%3DO%29O%29N%29CN%3DC%28N%29N'\n",
      "DEBUG:pubchempy:Created Compound(232)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28C%28%3DO%29O%29N%29CN'\n",
      "DEBUG:pubchempy:Created Compound(389)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CC%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(614)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40%40H%5D%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(8988)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1C%5BC%40H%5D%28NC1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(145742)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29C%5BC%40H%5D%28O%29CC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(10918)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29C%5BC%40%40H%5D%28CC%28%3DO%29%5BO-%5D%29O'\n",
      "DEBUG:pubchempy:Created Compound(10917)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCOP%28%3DO%29%28O%29OC%5BC%40H%5D%28O%29CO'\n",
      "DEBUG:pubchempy:Created Compound(439285)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCOP%28%3DO%29%28%5BO-%5D%29OC%5BC%40H%5D%28CO%29O'\n",
      "DEBUG:pubchempy:Created Compound(71920)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCOP%28%3DO%29%28O%29OC%5BC%40H%5D%28O%29CO'\n",
      "DEBUG:pubchempy:Created Compound(439285)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCOP%28%3DO%29%28%5BO-%5D%29OC%5BC%40%40H%5D%28CO%29O'\n",
      "DEBUG:pubchempy:Created Compound(657272)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC%28O%29COP%28O%29%28%3DO%29OCC%5BN%2B1%5D%28C%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(823)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCOP%28%3DO%29%28O%29OCC%28CO%29O'\n",
      "DEBUG:pubchempy:Created Compound(823)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28C%5BC%40%40H%5D%28C%28%3DO%29O%29N%29CNC%28%3DN%29N'\n",
      "DEBUG:pubchempy:Created Compound(6322)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CC%28C%28%3DO%29O%29N%29CN%3DC%28N%29N'\n",
      "DEBUG:pubchempy:Created Compound(232)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CCNC%28%3DO%29N%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(65072)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CCN%5BC%40%40H%5D%28C1%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(439227)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CCNC%28C1%29C%28C2%3DCC%3DCC%3DC2%29C%28%3DO%29N'\n",
      "DEBUG:pubchempy:Created Compound(86862)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CCN%29C%5BC%40%40H%5D%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(5962)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCC%28%3DO%29N%28C1CCNCC1%29C2%3DCC%3DCC%3DC2'\n",
      "DEBUG:pubchempy:Created Compound(259381)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%28%3DCC%3DC%28C%3DC1%29NS%28C%29%28%3DO%29%3DO%29C%28CNC%28C%29C%29O.Cl'\n",
      "DEBUG:pubchempy:Created Compound(66245)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC%28OC%29C%28%3DCC2C%3DC1%29C%28O%29C%28O%29C%28O%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(44715831)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCCCC%28C%28%3DO%29%5BO-%5D%29N'\n",
      "DEBUG:pubchempy:Created Compound(159659)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCCC%5BC%40H%5D%28N%29C%28%5BO-%5D%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(440120)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCCC%5BC%40%40H%5D%28C%28%3DO%29%5BO-%5D%29N'\n",
      "DEBUG:pubchempy:Created Compound(440120)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BN%2B%5D%28C%29%28C%29CCCC%5BC%40H%5D%28N%29C%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(440121)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_neg_05\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCC%28O%29CC%28%3DO%29CCc1ccc%28O%29c%28OC%29c1'\n",
      "DEBUG:pubchempy:Created Compound(3473)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28%3DO%29NCCS%28%3DO%29%28%3DO%29O%29%5BC%40H%5D1CC%5BC%40%40H%5D2%5BC%40%40%5D1%28%5BC%40H%5D%28C%5BC%40H%5D3%5BC%40H%5D2CC%5BC%40H%5D4%5BC%40%40%5D3%28CC%5BC%40H%5D%28C4%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(2733768)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28%3DO%29NCCS%28%3DO%29%28%3DO%29%5BO-%5D%29%5BC%40H%5D1CC%5BC%40%40H%5D2%5BC%40%40%5D1%28CC%5BC%40H%5D3%5BC%40H%5D2%5BC%40%40H%5D%28C%5BC%40H%5D4%5BC%40%40%5D3%28CC%5BC%40H%5D%28C4%29O%29C%29O%29C.%5BNa%2B%5D'\n",
      "DEBUG:pubchempy:Created Compound(23664008)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28%3DO%29NCCS%28%3DO%29%28%3DO%29O%29%5BC%40H%5D1CC%5BC%40%40H%5D2%5BC%40%40%5D1%28CC%5BC%40H%5D3%5BC%40H%5D2%5BC%40H%5D%28C%5BC%40H%5D4%5BC%40%40%5D3%28CC%5BC%40H%5D%28C4%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(9848818)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29OCC%28COP%28%3DO%29%28O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(89565)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCC%28%3DO%29OCC%28O%29COP%28O%29%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(89565)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1%3DC2C%28COC2%3DO%29%3DC%28C%29C%28OC%29%3DC1C%2FC%3DC%28CCC%28OC%29%3DO%29%5CC'\n",
      "DEBUG:pubchempy:Created Compound(6478685)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=+'\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COc%28c%28OC%29c1%29cc%28C%3DC2%29c1OC2%3DO'\n",
      "DEBUG:pubchempy:Created Compound(8417)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28C%5CC%3DC%28C%29%5CCC%5CC%3DC%28C%29%5CCCC%28O%29%3DO%29C%28%3DC2C%28%3DO%29OCC2%3DC1C%29O'\n",
      "DEBUG:pubchempy:Created Compound(45782899)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC%28CC%28OC%29C1%3DC%28O%29C2%3DC%28C%3DC%28C%29OC2%3DO%29C%3DC1O%29C%28%3DO%29OC'\n",
      "DEBUG:pubchempy:Created Compound(23874476)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%40H%5D1O%5BC%40%40H%5D%28Oc2c%28oc3cc%28O%29cc%28O%29c3c2%3DO%29c4ccc%28O%29c%28O%29c4%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O.O'\n",
      "DEBUG:pubchempy:Created Compound(16219923)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28C%29O%5BC%40%40H%5D1%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28COC%28%3DO%29C%29O%5BC%40H%5D1Oc1cc2oc%28C%29cc%28%3DO%29c2c%28O%29c1C'\n",
      "DEBUG:pubchempy:Created Compound(138756223)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=Cc1cc%28%3DO%29c2c%28c%28C%29c%28O%5BC%40H%5D3%5BC%40H%5D%28OC%28%3DO%29C%29%5BC%40%40H%5D%28OC%28%3DO%29C%29%5BC%40H%5D%28OC%28%3DO%29C%29%5BC%40%40H%5D%28COC%28%3DO%29C%29O3%29cc2O%29o1'\n",
      "DEBUG:pubchempy:Created Compound(138756197)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=Cc1cc%28%3DO%29c2c%28cc3c%28C%28%3DCC%28%3DO%29C3%3DO%29OC%29c2OC%29o1'\n",
      "DEBUG:pubchempy:Created Compound(138756198)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28OCC%29C%3DCC1%3DCC%3DC%28OC%29C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(74728)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C12CCC3%3DC%28C%28CCl%29CC4C3%28C%29CCC5C%28C%28%3DO%29O%29%28C%29C%28O%29C%28O%29CC54C%29C2CC%28C%29%28C%29CC1'\n",
      "DEBUG:pubchempy:Created Compound(200662)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1NCCC%3D2C%3D3C%3DC%28OC%29C%3DCC3NC12'\n",
      "DEBUG:pubchempy:Created Compound(87372)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2C%28C1%3DC%29CCC3%28C%29C%28O%29CCC%28%3DC%29C23'\n",
      "DEBUG:pubchempy:Created Compound(98958)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28CCC1%3DCC%3DC%28O%29C%28OC%29%3DC1%29CC%28O%29CCCCC'\n",
      "DEBUG:pubchempy:Created Compound(3473)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%28C1%3DCC%3DC%28C%3DC1OC%29C2OC%28C3%3DCC%3DC%28OC%29C%28OC%29%3DC3%29C%28C%29C2C%29C'\n",
      "DEBUG:pubchempy:Created Compound(609882)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DCC%28OC%29%3DCC%28OC%29%3DC2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(2775)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DCN%28C%28%3DO%29N1%29C2OC%28CO%29C%28O%29C2O'\n",
      "DEBUG:pubchempy:Created Compound(1177)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%28OC%29%3DC%28OC%29C%3DCC2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(142768)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC%28OC%29C%28OC%29%3DCC2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(8417)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C12CCC%28C%29%28C%29CC2C3%3DCCC4C5%28C%29CC%28O%29C%28O%29C%28C%29%28C%29C5CCC4%28C%29C3%28C%29CC1'\n",
      "DEBUG:pubchempy:Created Compound(3694932)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1CCC2%28C%29C%28CCC3%28C%29C2CC%3DC4C5C%28C%29C%28C%29CCC5%28C%29CCC43C%29C1%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(225688)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC%28O%29C%28%3DCC2C%3DC1%29CC%28O%29C%28O%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(5374451)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C2%3DCC%3DC%28O%29C%3DC2OC%28C3%3DCC%3DC%28O%29C%28O%29%3DC3%29C1'\n",
      "DEBUG:pubchempy:Created Compound(3496769)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC3OC%3DCC3%3DC%28OCC%3DC%28C%29CC%28O%29C%3DC%28C%29C%29C2C%3DC1'\n",
      "DEBUG:pubchempy:Created Compound(3086274)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C2%3DCC%28O%29%3DC%28OC%29C%28O%29%3DC2C%28%3DO%29C%3D3C%28OC%29%3DC%28O%29C%28%3DCC13%29C'\n",
      "DEBUG:pubchempy:Created Compound(155011)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request data: b'smiles=C1C%28C%28C%28CC1%28C%28%3DO%29O%29O%29OC%28%3DO%29C%3DCC2%3DCC%28%3DC%28C%3DC2%29O%29O%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(348159)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28C%3DCc1ccc%28O%29c%28O%29c1%29OC1CC%28O%29%28C%28%3DO%29O%29CC%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(348159)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C1%28O%29CC%28O%29C%28O%29C%28OC%28%3DO%29C%3DCC2%3DCC%3DC%28O%29C%28O%29%3DC2%29C1'\n",
      "DEBUG:pubchempy:Created Compound(348159)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%28O%29CCC%28C%29%28C%29O%29C1CCC2%28O%29C3%3DCC%28%3DO%29C4CC%28O%29C%28O%29CC4%28C%29C3CCC12C'\n",
      "DEBUG:pubchempy:Created Compound(4233007)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40H%5D%28CCC%28%3DO%29NCC%28%3DO%29O%29%5BC%40H%5D1CCC2%5BC%40%40%5D1%28%5BC%40H%5D%28CC3C2CC%5BC%40H%5D4%5BC%40%40%5D3%28CC%5BC%40H%5D%28C4%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(22833539)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_neg_02\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCOS%28%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(8778)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28C%28CC3C2CCC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(53462088)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28CCC3C2CCC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29C'\n",
      "DEBUG:pubchempy:Created Compound(4388803)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C1%28CCC3C2C%28CC4C3%28CCC%28C4%29OS%28%3DO%29%28%3DO%29O%29C%29O%29C'\n",
      "DEBUG:pubchempy:Created Compound(13834054)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28C%3DCC%28%3DC1%29%2FC%3DC%2FC%28%3DO%29CC%28%3DO%29%2FC%3DC%2FC2%3DCC%28%3DC%28C%3DC2%29O%29OC%29O'\n",
      "DEBUG:pubchempy:Created Compound(969516)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28%3DO%29N%5BC%40%40H%5D%28C%3DO%29%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28CO%29O%29OS%28%3DO%29%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(170758)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%5BC%40%5D12CC%5BC%40H%5D%28C%5BC%40%40H%5D1CC%5BC%40%40H%5D3%5BC%40%40H%5D2CC%5BC%40%5D4%28%5BC%40H%5D3CCC4%3DO%29C%29OS%28%3DO%29%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(159663)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%28O%29C2%3DCC%3DCC%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(75144758)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CSCCCCC%28SC1OC%28CO%29C%28O%29C%28O%29C1O%29%3DNOS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(4479893)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC2%3DCC%3DCC%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(437038)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%3DC%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(417411)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC2%3DCC%3DC%28O%29C%3DC2%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(415565)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCC%28O%29C%28O%29CCCCCCCC%28%3DO%29OS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(139292071)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OCC1OC%28SC%28CC%28O%29C%3DC%29%3DNOS%28O%29%28%3DO%29%3DO%29C%28O%29C%28O%29C1O'\n",
      "DEBUG:pubchempy:Created Compound(4480096)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CCCCCCCCCCCCCCOS%28O%29%28%3DO%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(5248)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1%3DC%28C%28C%28C%28C1%28CC%3DC%28C%29C%29CC%3DC%28C%29C%29%3DO%29%28CC%3DC%28C%29C%29CC%3DC%28C%29C%29%3DO%29C%28C%28C%29C%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(6482366)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28C%3DCC%28%3DC1%29%2FC%3DC%2FC%28%3DO%29CC%28%3DO%29%2FC%3DC%2FC2%3DCC%3DC%28C%3DC2%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(5469424)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1%2FC%3DC%2FC%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(637542)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C1%28O%29C%5BC%40%40H%5D%28O%29C%28O%29%5BC%40H%5D%28O%29C1'\n",
      "DEBUG:pubchempy:Created Compound(6508)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CC1%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(535)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29C%28N%29CCC'\n",
      "DEBUG:pubchempy:Created Compound(824)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%28%3DO%29C%28N%29%28C1%29C1'\n",
      "DEBUG:pubchempy:Created Compound(535)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1%28C%29CCC2%28CCC3%28C%29C%28%3DCCC4C5%28C%29CC%28O%29C%28O%29C%28C%29%28C%29C5CCC34C%29C2C1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(3694932)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C%28CCN%29CC%28%3DO%29O'\n",
      "DEBUG:pubchempy:Created Compound(138)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=COC1%3DC%28C%3DCC%28%3DC1%29%2FC%3DC%2FC%28%3DO%29CC%28%3DO%29%2FC%3DC%2FC2%3DCC%3DC%28C%3DC2%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(5469424)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1%3DCC%28%3DCC%3DC1%2FC%3DC%2FC%28%3DO%29O%29O'\n",
      "DEBUG:pubchempy:Created Compound(637542)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=C1CC1%28C%28%3DO%29O%29N'\n",
      "DEBUG:pubchempy:Created Compound(535)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=Cc1%5BnH%5Dc2ccccc2c1CCNC%28%3DN%29O'\n",
      "DEBUG:pubchempy:Created Compound(671969)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28NN%3DCC%3DCc1ccc2c%28c1%29OCO2%29c1ccncc1'\n",
      "DEBUG:pubchempy:Created Compound(3984058)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC%28%3DO%29C%28N%29%28C1%29C1'\n",
      "DEBUG:pubchempy:Created Compound(535)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC1%28C%29CCC2%28CCC3%28C%29C%28%3DCCC4C5%28C%29CC%28O%29C%28O%29C%28C%29%28C%29C5CCC34C%29C2C1%29C%28O%29%3DO'\n",
      "DEBUG:pubchempy:Created Compound(3694932)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=%5BH%5D%5BC%40%40%5D12O%5BC%40%5D1%28C%29C%28%3DO%29C1%3DCC%28O%29%3DC3C4%3DC%28C%3DCC%3DC4O%29C%28%3DO%29C3%3DC1%5BC%40H%5D2OC%28%3DO%29C%28C%29CC'\n",
      "DEBUG:pubchempy:Created Compound(71455117)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29%3DCC1C%5BC%40%5D%28C%29%28C%3DC%29C2%3DC%28O1%29C3%3DC%28C%29C%3DCC%3DC3OC2%3DO'\n",
      "DEBUG:pubchempy:Created Compound(45359727)\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28C%29%28C%29c1ccc%28-c2oc3ccccc3c%28%3DO%29c2OCC%23N%29cc1'\n",
      "DEBUG:pubchempy:Created Compound(1696095)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=OC1CC%28%3DC%28C%3DCC%28%3DCC%3DCC%28%3DCC%3DCC%3DC%28C%3DCC%3DC%28C%3DCC2%3DC%28C%29CC%28O%29CC2%28C%29C%29C%29C%29C%29C%29C%28C%29%28C%29C1%29C'\n",
      "DEBUG:pubchempy:Created Compound(534748)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DC%28C%3DC1%29C%3DCC%3D3OC%28C%29%28C%29C%28OC%28%3DO%29C%28%3DCC%29C%29CC32'\n",
      "DEBUG:pubchempy:Created Compound(511786)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC%3D2C%3DC3OC%28C%3DCC3%3DCC2C%3DC1%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(65188)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1C%3DC%28OC2%3DCC%28O%29%3DC%28OC%29C%28O%29%3DC12%29C%3D3C%3DCC%28O%29%3DCC3'\n",
      "DEBUG:pubchempy:Created Compound(5281628)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DCC%28O%29%3DCC%28%3DC2C%3D3C%3DC%28O%29C%3DC%28O%29C13%29C'\n",
      "DEBUG:pubchempy:Created Compound(5359485)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC1OC2%3DC%28C%3DC1%29C%3DCC%28OC%29%3DC2CC%28O%29C%28O%29%28C%29C'\n",
      "DEBUG:pubchempy:Created Compound(5070783)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=O%3DC%28O%29CCCCCCCCCCCCC'\n",
      "DEBUG:pubchempy:Created Compound(11005)\n",
      "DEBUG:pubchempy:Request URL: https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/JSON\n",
      "DEBUG:pubchempy:Request data: b'smiles=CC%28CCC%28%3DO%29O%29C1CCC2C3C%28O%29CC4CC%28O%29CCC4%28C%29C3CC%28O%29C12C'\n",
      "\n",
      "KeyboardInterrupt\n",
      "\n"
     ]
    }
   ],
   "source": [
    "for i in folders2:\n",
    "    entry = path + \"/\" +i\n",
    "    print(i)\n",
    "    spec_postproc(entry, Source=\"all\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 166,
   "id": "45524cfc",
   "metadata": {},
   "outputs": [],
   "source": [
    "entry = \"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1/DS_201124_SC_full_PRM_pos_03\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 168,
   "id": "f11f19e9",
   "metadata": {},
   "outputs": [],
   "source": [
    "if os.path.exists(entry.split(\"/DS\")[0] + \"/hmdb_dframe_str.csv\"):\n",
    "    extract_smiles = pd.read_csv(entry.split(\"/DS\")[0] + \"/hmdb_dframe_str.csv\", low_memory=False)\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 170,
   "id": "2bf3c414",
   "metadata": {},
   "outputs": [],
   "source": [
    "msp_file = glob.glob(\n",
    "    entry + \"/spectral_dereplication\" + \"/*.csv\"\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 184,
   "id": "3883e5d6",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0\n",
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      "39\n",
      "Empty DataFrame\n",
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      "Empty DataFrame\n",
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      "41\n",
      "Empty DataFrame\n",
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      "42\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
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      "43\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
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      "44\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
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      "45\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
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      "46\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
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      "47\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
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      "48\n",
      "Empty DataFrame\n",
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      "Index: []\n",
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      "Index: []\n",
      "______\n",
      "51\n",
      "    Unnamed: 0  HMDBmax_similarity  HMDBmzScore  HMDBintScore  \\\n",
      "0            1            0.935472     0.857143      0.922861   \n",
      "1            2            0.931864     0.857143      0.908753   \n",
      "2            3            0.929217     0.857143      0.901501   \n",
      "3            4            0.920374     0.857143      0.878500   \n",
      "4            5            0.899812     0.750000      0.901253   \n",
      "5            6            0.899045     0.750000      0.906547   \n",
      "6            7            0.897570     0.750000      0.923016   \n",
      "7            8            0.872425     0.750000      0.989142   \n",
      "8            9            0.871331     0.750000      0.981434   \n",
      "9           10            0.870343     0.750000      0.958434   \n",
      "10          11            0.867599     0.750000      0.948576   \n",
      "11          12            0.866141     0.750000      0.965972   \n",
      "12          13            0.842874     0.666667      0.981186   \n",
      "13          14            0.839487     0.666667      0.996796   \n",
      "14          15            0.839042     0.666667      0.981234   \n",
      "15          16            0.836541     0.666667      0.973055   \n",
      "\n",
      "    HQMatchingPeaks  HMDBTotalPeaks  hQueryTotalPeaks HMDBcompoundID Source  \n",
      "0                 3               4                 3    HMDB0000159   HMDB  \n",
      "1                 3               4                 3    HMDB0000159   HMDB  \n",
      "2                 3               4                 3    HMDB0000159   HMDB  \n",
      "3                 3               4                 3    HMDB0000159   HMDB  \n",
      "4                 3               4                 4    HMDB0000159   HMDB  \n",
      "5                 3               4                 4    HMDB0000159   HMDB  \n",
      "6                 3               4                 4    HMDB0000159   HMDB  \n",
      "7                 3               5                 3    HMDB0250791   HMDB  \n",
      "8                 3               5                 3    HMDB0250791   HMDB  \n",
      "9                 3               5                 3    HMDB0250791   HMDB  \n",
      "10                3               5                 3    HMDB0250791   HMDB  \n",
      "11                3               5                 3    HMDB0250791   HMDB  \n",
      "12                3               5                 4    HMDB0250791   HMDB  \n",
      "13                3               5                 4    HMDB0250791   HMDB  \n",
      "14                3               5                 4    HMDB0250791   HMDB  \n",
      "15                3               5                 4    HMDB0250791   HMDB  \n",
      "______\n",
      "52\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "53\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "54\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "55\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "56\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "57\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "58\n",
      "    Unnamed: 0  HMDBmax_similarity  HMDBmzScore  HMDBintScore  \\\n",
      "0            1            0.960592     0.923077      0.938353   \n",
      "1            2            0.957765     0.923077      0.942209   \n",
      "2            3            0.956904     0.923077      0.924988   \n",
      "3            4            0.954919     0.923077      0.922197   \n",
      "4            5            0.953527     0.923077      0.936543   \n",
      "5            6            0.950013     0.923077      0.930661   \n",
      "6            7            0.949804     0.833333      0.980563   \n",
      "7            8            0.946939     0.833333      0.974653   \n",
      "8            9            0.945647     0.923077      0.916171   \n",
      "9           10            0.942003     0.833333      0.936743   \n",
      "10          11            0.939932     0.833333      0.927860   \n",
      "11          12            0.939053     0.833333      0.932633   \n",
      "12          13            0.937605     0.833333      0.970492   \n",
      "13          14            0.935219     0.833333      0.921753   \n",
      "14          15            0.934454     0.857143      0.941891   \n",
      "15          16            0.932809     0.833333      0.905503   \n",
      "16          17            0.932250     0.833333      0.909021   \n",
      "17          18            0.931215     0.857143      0.932680   \n",
      "18          19            0.931091     0.833333      0.910092   \n",
      "19          20            0.929945     0.833333      0.938780   \n",
      "20          21            0.929006     0.833333      0.903179   \n",
      "21          22            0.927184     0.833333      0.927900   \n",
      "22          23            0.926537     0.833333      0.963604   \n",
      "23          24            0.925140     0.857143      0.935283   \n",
      "24          25            0.924355     0.833333      0.911157   \n",
      "25          26            0.918560     0.833333      0.940553   \n",
      "26          27            0.917749     0.833333      0.898392   \n",
      "27          28            0.916390     0.833333      0.929673   \n",
      "28          29            0.915195     0.833333      0.915361   \n",
      "29          30            0.914356     0.857143      0.930388   \n",
      "30          31            0.909438     0.833333      0.963468   \n",
      "31          32            0.904306     0.833333      0.891504   \n",
      "32          33            0.901919     0.857143      0.938890   \n",
      "33          34            0.898870     0.833333      0.915276   \n",
      "34          35            0.892796     0.833333      0.820252   \n",
      "35          36            0.892101     0.833333      0.816105   \n",
      "36          37            0.889335     0.833333      0.891368   \n",
      "37          38            0.875672     0.833333      0.808552   \n",
      "38          39            0.861713     0.769231      0.919188   \n",
      "39          40            0.860659     0.833333      0.801664   \n",
      "40          41            0.854298     0.769231      0.919379   \n",
      "41          42            0.853175     0.800000      0.926238   \n",
      "42          43            0.852550     0.800000      0.943580   \n",
      "43          44            0.845277     0.769231      0.912744   \n",
      "44          45            0.842495     0.800000      0.945290   \n",
      "45          46            0.840469     0.857143      0.860344   \n",
      "46          47            0.836425     0.769231      0.903111   \n",
      "47          48            0.836124     0.857143      0.865086   \n",
      "48          49            0.835355     0.857143      0.849639   \n",
      "49          50            0.824342     0.857143      0.862061   \n",
      "\n",
      "    HQMatchingPeaks  HMDBTotalPeaks  hQueryTotalPeaks HMDBcompoundID Source  \n",
      "0                 6               6                 7    HMDB0000158   HMDB  \n",
      "1                 6               6                 7    HMDB0000158   HMDB  \n",
      "2                 6               6                 7    HMDB0250803   HMDB  \n",
      "3                 6               6                 7    HMDB0250803   HMDB  \n",
      "4                 6               6                 7    HMDB0000158   HMDB  \n",
      "5                 6               6                 7    HMDB0000158   HMDB  \n",
      "6                 5               5                 7    HMDB0000158   HMDB  \n",
      "7                 5               5                 7    HMDB0000158   HMDB  \n",
      "8                 6               6                 7    HMDB0250803   HMDB  \n",
      "9                 5               5                 7    HMDB0250803   HMDB  \n",
      "10                5               5                 7    HMDB0000158   HMDB  \n",
      "11                5               5                 7    HMDB0250803   HMDB  \n",
      "12                5               5                 7    HMDB0000158   HMDB  \n",
      "13                5               5                 7    HMDB0000158   HMDB  \n",
      "14                6               7                 7    HMDB0000158   HMDB  \n",
      "15                5               5                 7    HMDB0250803   HMDB  \n",
      "16                5               5                 7    HMDB0250803   HMDB  \n",
      "17                6               7                 7    HMDB0000158   HMDB  \n",
      "18                5               5                 7    HMDB0250803   HMDB  \n",
      "19                5               5                 7    HMDB0250803   HMDB  \n",
      "20                5               5                 7    HMDB0250803   HMDB  \n",
      "21                5               5                 7    HMDB0000158   HMDB  \n",
      "22                5               5                 7    HMDB0000158   HMDB  \n",
      "23                6               7                 7    HMDB0000158   HMDB  \n",
      "24                5               5                 7    HMDB0250803   HMDB  \n",
      "25                5               5                 7    HMDB0250803   HMDB  \n",
      "26                5               5                 7    HMDB0250803   HMDB  \n",
      "27                5               5                 7    HMDB0000158   HMDB  \n",
      "28                5               5                 7    HMDB0250803   HMDB  \n",
      "29                6               7                 7    HMDB0000158   HMDB  \n",
      "30                5               5                 7    HMDB0000158   HMDB  \n",
      "31                5               5                 7    HMDB0250803   HMDB  \n",
      "32                6               7                 7    HMDB0000158   HMDB  \n",
      "33                5               5                 7    HMDB0250803   HMDB  \n",
      "34                5               5                 7    HMDB0250803   HMDB  \n",
      "35                5               5                 7    HMDB0250803   HMDB  \n",
      "36                5               5                 7    HMDB0250803   HMDB  \n",
      "37                5               5                 7    HMDB0250803   HMDB  \n",
      "38                5               6                 7    HMDB0000158   HMDB  \n",
      "39                5               5                 7    HMDB0250803   HMDB  \n",
      "40                5               5                 8    HMDB0250803   HMDB  \n",
      "41                6               7                 8    HMDB0000158   HMDB  \n",
      "42                6               7                 8    HMDB0000158   HMDB  \n",
      "43                5               5                 8    HMDB0250803   HMDB  \n",
      "44                6               7                 8    HMDB0000158   HMDB  \n",
      "45                6               7                 7    HMDB0000158   HMDB  \n",
      "46                5               5                 8    HMDB0250803   HMDB  \n",
      "47                6               7                 7    HMDB0000158   HMDB  \n",
      "48                6               7                 7    HMDB0000158   HMDB  \n",
      "49                6               7                 7    HMDB0000158   HMDB  \n",
      "______\n",
      "59\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "60\n",
      "    Unnamed: 0  HMDBmax_similarity  HMDBmzScore  HMDBintScore  \\\n",
      "0            1            0.983445            1      0.919546   \n",
      "1            2            0.982281            1      0.917359   \n",
      "2            3            0.981805            1      0.954824   \n",
      "3            4            0.981787            1      0.954796   \n",
      "4            5            0.981622            1      0.954527   \n",
      "5            6            0.981274            1      0.915550   \n",
      "6            7            0.980952            1      0.953448   \n",
      "7            8            0.980775            1      0.953164   \n",
      "8            9            0.980522            1      0.952760   \n",
      "9           10            0.980511            1      0.952742   \n",
      "10          11            0.980254            1      0.913790   \n",
      "11          12            0.980231            1      0.913752   \n",
      "12          13            0.980208            1      0.913714   \n",
      "13          14            0.980095            1      0.952079   \n",
      "14          15            0.980031            1      0.951978   \n",
      "15          16            0.979692            1      0.951441   \n",
      "16          17            0.979542            1      0.951203   \n",
      "17          18            0.979470            1      0.951090   \n",
      "18          19            0.979406            1      0.950988   \n",
      "19          20            0.979358            1      0.950912   \n",
      "20          21            0.978948            1      0.950269   \n",
      "21          22            0.978878            1      0.911523   \n",
      "22          23            0.978768            1      0.911346   \n",
      "23          24            0.978186            1      0.910424   \n",
      "24          25            0.978017            1      0.910160   \n",
      "25          26            0.977842            1      0.948540   \n",
      "26          27            0.977671            1      0.948276   \n",
      "27          28            0.977075            1      0.947354   \n",
      "28          29            0.976960            1      0.947177   \n",
      "29          30            0.976887            1      0.908431   \n",
      "30          31            0.976455            1      0.907788   \n",
      "31          32            0.976403            1      0.907712   \n",
      "32          33            0.976334            1      0.907610   \n",
      "33          34            0.976257            1      0.907497   \n",
      "34          35            0.976095            1      0.907259   \n",
      "35          36            0.975725            1      0.906722   \n",
      "36          37            0.975655            1      0.906621   \n",
      "37          38            0.975529            1      0.944986   \n",
      "38          39            0.975504            1      0.944948   \n",
      "39          40            0.975479            1      0.944910   \n",
      "40          41            0.975191            1      0.905958   \n",
      "41          42            0.975178            1      0.905940   \n",
      "42          43            0.974892            1      0.905536   \n",
      "43          44            0.974690            1      0.905252   \n",
      "44          45            0.974317            1      0.943150   \n",
      "45          46            0.973908            1      0.904173   \n",
      "46          47            0.973710            1      0.903904   \n",
      "47          48            0.973689            1      0.903876   \n",
      "48          49            0.973112            1      0.941341   \n",
      "49          50            0.971805            1      0.886596   \n",
      "\n",
      "    HQMatchingPeaks  HMDBTotalPeaks  hQueryTotalPeaks HMDBcompoundID Source  \n",
      "0                 2               2                 2    HMDB0003374   HMDB  \n",
      "1                 2               2                 2    HMDB0003374   HMDB  \n",
      "2                 2               2                 2    HMDB0000721   HMDB  \n",
      "3                 2               2                 2    HMDB0000721   HMDB  \n",
      "4                 2               2                 2    HMDB0000721   HMDB  \n",
      "5                 2               2                 2    HMDB0003374   HMDB  \n",
      "6                 2               2                 2    HMDB0000721   HMDB  \n",
      "7                 2               2                 2    HMDB0000721   HMDB  \n",
      "8                 2               2                 2    HMDB0000721   HMDB  \n",
      "9                 2               2                 2    HMDB0000721   HMDB  \n",
      "10                2               2                 2    HMDB0003374   HMDB  \n",
      "11                2               2                 2    HMDB0003374   HMDB  \n",
      "12                2               2                 2    HMDB0003374   HMDB  \n",
      "13                2               2                 2    HMDB0000721   HMDB  \n",
      "14                2               2                 2    HMDB0000721   HMDB  \n",
      "15                2               2                 2    HMDB0000721   HMDB  \n",
      "16                2               2                 2    HMDB0000721   HMDB  \n",
      "17                2               2                 2    HMDB0000721   HMDB  \n",
      "18                2               2                 2    HMDB0000721   HMDB  \n",
      "19                2               2                 2    HMDB0000721   HMDB  \n",
      "20                2               2                 2    HMDB0000721   HMDB  \n",
      "21                2               2                 2    HMDB0003374   HMDB  \n",
      "22                2               2                 2    HMDB0003374   HMDB  \n",
      "23                2               2                 2    HMDB0003374   HMDB  \n",
      "24                2               2                 2    HMDB0003374   HMDB  \n",
      "25                2               2                 2    HMDB0000721   HMDB  \n",
      "26                2               2                 2    HMDB0000721   HMDB  \n",
      "27                2               2                 2    HMDB0000721   HMDB  \n",
      "28                2               2                 2    HMDB0000721   HMDB  \n",
      "29                2               2                 2    HMDB0003374   HMDB  \n",
      "30                2               2                 2    HMDB0003374   HMDB  \n",
      "31                2               2                 2    HMDB0003374   HMDB  \n",
      "32                2               2                 2    HMDB0003374   HMDB  \n",
      "33                2               2                 2    HMDB0003374   HMDB  \n",
      "34                2               2                 2    HMDB0003374   HMDB  \n",
      "35                2               2                 2    HMDB0003374   HMDB  \n",
      "36                2               2                 2    HMDB0003374   HMDB  \n",
      "37                2               2                 2    HMDB0000721   HMDB  \n",
      "38                2               2                 2    HMDB0000721   HMDB  \n",
      "39                2               2                 2    HMDB0000721   HMDB  \n",
      "40                2               2                 2    HMDB0003374   HMDB  \n",
      "41                2               2                 2    HMDB0003374   HMDB  \n",
      "42                2               2                 2    HMDB0003374   HMDB  \n",
      "43                2               2                 2    HMDB0003374   HMDB  \n",
      "44                2               2                 2    HMDB0000721   HMDB  \n",
      "45                2               2                 2    HMDB0003374   HMDB  \n",
      "46                2               2                 2    HMDB0003374   HMDB  \n",
      "47                2               2                 2    HMDB0003374   HMDB  \n",
      "48                2               2                 2    HMDB0000721   HMDB  \n",
      "49                2               2                 2    HMDB0251528   HMDB  \n",
      "______\n",
      "61\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "62\n",
      "   Unnamed: 0  HMDBmax_similarity  HMDBmzScore  HMDBintScore  HQMatchingPeaks  \\\n",
      "0           1            0.708770          0.8      0.810710                2   \n",
      "1           2            0.705658          0.8      0.803480                2   \n",
      "2           3            0.704707          0.8      0.801266                2   \n",
      "3           4            0.703284          0.8      0.797943                2   \n",
      "4           5            0.702495          0.8      0.796097                2   \n",
      "\n",
      "   HMDBTotalPeaks  hQueryTotalPeaks HMDBcompoundID Source  \n",
      "0               3                 2    HMDB0010382   HMDB  \n",
      "1               3                 2    HMDB0010382   HMDB  \n",
      "2               3                 2    HMDB0010382   HMDB  \n",
      "3               3                 2    HMDB0010382   HMDB  \n",
      "4               3                 2    HMDB0010382   HMDB  \n",
      "______\n",
      "63\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "64\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "65\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "66\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "67\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "68\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "69\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "70\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "71\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "72\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "73\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n",
      "74\n",
      "Empty DataFrame\n",
      "Columns: [Unnamed: 0]\n",
      "Index: []\n",
      "______\n"
     ]
    }
   ],
   "source": [
    "msp = pd.read_csv(msp_file[0])\n",
    "sub_dir = (\n",
    "    entry + \"/spectral_dereplication/HMDB/\"\n",
    ")\n",
    "files = glob.glob(sub_dir + \"/*.csv\")\n",
    "files = [item for item in files if 'proc' not in item]\n",
    "for mz, row in msp.iterrows():\n",
    "    for fls_h in files:\n",
    "        if msp[\"id_X\"][mz] in fls_h:\n",
    "            print(mz)\n",
    "            hmdb_df = pd.read_csv(fls_h)\n",
    "            print(hmdb_df)\n",
    "            print(\"______\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 185,
   "id": "6522215a",
   "metadata": {},
   "outputs": [],
   "source": [
    "mz = 51"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 190,
   "id": "c011c49f",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "51\n",
      "______\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
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      "SmilesHM\n",
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      "SmilesHM\n",
      "SmilesHM\n",
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      "SmilesHM\n",
      "SmilesHM\n",
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      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
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      "SmilesHM\n",
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      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n",
      "SmilesHM\n"
     ]
    }
   ],
   "source": [
    "for fls_h in files:\n",
    "    if msp[\"id_X\"][mz] in fls_h:\n",
    "        print(mz)\n",
    "        hmdb_df = pd.read_csv(fls_h)\n",
    "        #print(hmdb_df)\n",
    "        print(\"______\")\n",
    "        if len(hmdb_df) > 0:\n",
    "            SmilesHM = pd.merge(\n",
    "                hmdb_df,\n",
    "                extract_smiles,\n",
    "                left_on=hmdb_df.HMDBcompoundID,\n",
    "                right_on=extract_smiles.DATABASE_ID,\n",
    "            )\n",
    "            for i, row in hmdb_df.iterrows():\n",
    "                if HMDB_Scoring(hmdb_df, i):\n",
    "                    for j, row in SmilesHM.iterrows():\n",
    "                        print(\"SmilesHM\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 189,
   "id": "f14be7f9",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 189,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "HMDB_Scoring(hmdb_df, i)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "249b0b48",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "02869db2",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "5500acc0",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "fa2f6a82",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['DS_201124_SC_full_PRM_pos_03',\n",
       " 'DS_201124_SC_full_PRM_pos_04',\n",
       " 'DS200309_Scost_QC_70k_neg_PRM',\n",
       " 'DS_201124_SC_full_PRM_pos_05',\n",
       " 'DS_201124_SC_full_PRM_pos_02',\n",
       " 'DS_201124_SC_full_PRM_neg_03',\n",
       " 'DS_201124_SC_full_PRM_neg_04',\n",
       " 'DS200309_Scost_QC_70k_pos_PRM',\n",
       " 'DS_201124_SC_full_PRM_neg_05',\n",
       " 'DS_201124_SC_full_PRM_neg_02',\n",
       " 'DS_201124_SC_full_PRM_neg_10',\n",
       " 'DS_201124_SC_full_PRM_pos_10',\n",
       " 'DS_201124_SC_full_PRM_pos_07',\n",
       " 'DS_201124_SC_full_PRM_pos_09',\n",
       " 'DS_201124_SC_full_PRM_pos_08',\n",
       " 'DS_201124_SC_full_PRM_pos_01',\n",
       " 'DS_201124_SC_full_PRM_pos_06',\n",
       " 'DS_201124_SC_full_PRM_neg_07',\n",
       " 'DS_201124_SC_full_PRM_neg_09',\n",
       " 'DS_201124_SC_full_PRM_neg_08',\n",
       " 'DS_201124_SC_full_PRM_neg_01',\n",
       " 'DS_201124_SC_full_PRM_neg_06']"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "path = \"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1\"\n",
    "file = os.listdir(\"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1\")\n",
    "import os\n",
    "folders = [x for x in os.listdir(\"/Users/mahnoorzulfiqar/OneDriveUNI/MAW-Diatom/SmarinoiRun1\") if x.startswith('DS')]\n",
    "folders2 = [x for x in folders if not '.mzML' in x]\n",
    "folders2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "d28d76ef",
   "metadata": {},
   "outputs": [],
   "source": [
    "SuspectListPath = \"/Users/mahnoorzulfiqar/OneDriveUNI/SuspectList/SkeletonemaSuspectListV1_correctedColumns.csv\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "1f7bf727",
   "metadata": {},
   "outputs": [],
   "source": [
    "SuspectList = pd.read_csv(SuspectListPath)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "d8233a3f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['Unnamed: 0', 'CompoundName', 'MolecularFormula', 'Species', 'SMILES',\n",
       "       'InChI', 'MonoisotopicMass', 'ChEBIid', 'KEGGid', 'PubChemId',\n",
       "       'source_database', 'Source', 'nonIsomeric_SMILES_byRDKit', 'iupac',\n",
       "       'Synonym', 'PubChemPY', 'correct_CompoundName', 'Molecular mass',\n",
       "       'subclass', 'class', 'superclass', 'Enzymes', 'InChIKey'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SuspectList.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 116,
   "id": "4e7f4e98",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Unnamed: 0</th>\n",
       "      <th>CompoundName</th>\n",
       "      <th>MolecularFormula</th>\n",
       "      <th>Species</th>\n",
       "      <th>SMILES</th>\n",
       "      <th>InChI</th>\n",
       "      <th>MonoisotopicMass</th>\n",
       "      <th>ChEBIid</th>\n",
       "      <th>KEGGid</th>\n",
       "      <th>PubChemId</th>\n",
       "      <th>...</th>\n",
       "      <th>iupac</th>\n",
       "      <th>Synonym</th>\n",
       "      <th>PubChemPY</th>\n",
       "      <th>correct_CompoundName</th>\n",
       "      <th>Molecular mass</th>\n",
       "      <th>subclass</th>\n",
       "      <th>class</th>\n",
       "      <th>superclass</th>\n",
       "      <th>Enzymes</th>\n",
       "      <th>InChIKey</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>0</td>\n",
       "      <td>N-Acetyl-L-glutamic acid</td>\n",
       "      <td>C7H11NO5</td>\n",
       "      <td>S. marinoi</td>\n",
       "      <td>CC(=O)N[C@@H](CCC(=O)O)C(=O)O</td>\n",
       "      <td>InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)...</td>\n",
       "      <td>189.063723</td>\n",
       "      <td>CHEBI:44337</td>\n",
       "      <td>C00624</td>\n",
       "      <td>70914.0</td>\n",
       "      <td>...</td>\n",
       "      <td>(2S)-2-acetamidopentanedioic acid</td>\n",
       "      <td>['N-Acetyl-L-glutamic acid', '1188-37-0', 'ace...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>189.17</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>RFMMMVDNIPUKGG-YFKPBYRVSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1</td>\n",
       "      <td>Threonic acid</td>\n",
       "      <td>C4H8O5</td>\n",
       "      <td>S. marinoi</td>\n",
       "      <td>C(C(C(C(=O)O)O)O)O</td>\n",
       "      <td>InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1...</td>\n",
       "      <td>136.037173</td>\n",
       "      <td>CHEBI:26984</td>\n",
       "      <td>NaN</td>\n",
       "      <td>439535.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2,3,4-trihydroxybutanoic acid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>checked; structure added</td>\n",
       "      <td>NaN</td>\n",
       "      <td>136.10</td>\n",
       "      <td>Carbohydrates and carbohydrate conjugates</td>\n",
       "      <td>Organooxygen compounds</td>\n",
       "      <td>Organic oxygen compounds</td>\n",
       "      <td>NaN</td>\n",
       "      <td>JPIJQSOTBSSVTP-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>2</td>\n",
       "      <td>L-citrulline</td>\n",
       "      <td>C6H13N3O3</td>\n",
       "      <td>S. costatum</td>\n",
       "      <td>C(C[C@@H](C(=O)O)N)CNC(=O)N</td>\n",
       "      <td>InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12...</td>\n",
       "      <td>175.095691</td>\n",
       "      <td>CHEBI:16349</td>\n",
       "      <td>C00327</td>\n",
       "      <td>9750.0</td>\n",
       "      <td>...</td>\n",
       "      <td>(2S)-2-amino-5-(carbamoylamino)pentanoic acid</td>\n",
       "      <td>['L-citrulline', 'citrulline', '372-75-8', 'H-...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>175.19</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>RHGKLRLOHDJJDR-BYPYZUCNSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>3</td>\n",
       "      <td>DL-HISTIDINE</td>\n",
       "      <td>C6H9N3O2</td>\n",
       "      <td>S. marinoi and S. costatum</td>\n",
       "      <td>NC(Cc1c[nH]cn1)C(O)=O</td>\n",
       "      <td>InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h...</td>\n",
       "      <td>155.069477</td>\n",
       "      <td>CHEBI:27570</td>\n",
       "      <td>NaN</td>\n",
       "      <td>773.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2-amino-3-(1H-imidazol-5-yl)propanoic acid</td>\n",
       "      <td>['DL-HISTIDINE', '4998-57-6', 'H-DL-His-OH', '...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>155.15</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>HNDVDQJCIGZPNO-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>4</td>\n",
       "      <td>DL-Leucine</td>\n",
       "      <td>C6H13NO2</td>\n",
       "      <td>S. marinoi and S. costatum</td>\n",
       "      <td>CC(C)CC(N)C(O)=O</td>\n",
       "      <td>InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7...</td>\n",
       "      <td>131.094629</td>\n",
       "      <td>CHEBI:25017</td>\n",
       "      <td>NaN</td>\n",
       "      <td>857.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2-amino-4-methylpentanoic acid</td>\n",
       "      <td>['DL-Leucine', '328-39-2', 'H-DL-Leu-OH', '2-A...</td>\n",
       "      <td>checked; NEW name</td>\n",
       "      <td>NaN</td>\n",
       "      <td>131.17</td>\n",
       "      <td>Amino acids, peptides, and analogues</td>\n",
       "      <td>Carboxylic acids and derivatives</td>\n",
       "      <td>Organic acids and derivatives</td>\n",
       "      <td>NaN</td>\n",
       "      <td>ROHFNLRQFUQHCH-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>881</th>\n",
       "      <td>881</td>\n",
       "      <td>Phosphatidylethanolamine</td>\n",
       "      <td>C9H18NO8P</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C</td>\n",
       "      <td>InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-...</td>\n",
       "      <td>299.077004</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>5327011.0</td>\n",
       "      <td>...</td>\n",
       "      <td>[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)pho...</td>\n",
       "      <td>['UNII-7CMB6B4449', '7CMB6B4449', '[(2R)-2-ace...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>299.21</td>\n",
       "      <td>Glycerophosphoethanolamines</td>\n",
       "      <td>Glycerophospholipids</td>\n",
       "      <td>Lipids and lipid-like molecules</td>\n",
       "      <td>NaN</td>\n",
       "      <td>CFWRDBDJAOHXSH-SECBINFHSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>882</th>\n",
       "      <td>882</td>\n",
       "      <td>cholesterol sulphate</td>\n",
       "      <td>C27H46O4S</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3...</td>\n",
       "      <td>InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12...</td>\n",
       "      <td>466.311681</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>65076.0</td>\n",
       "      <td>...</td>\n",
       "      <td>[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-...</td>\n",
       "      <td>['Cholesterol sulfate', 'Cholesteryl sulfate',...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>466.70</td>\n",
       "      <td>Cholestane steroids</td>\n",
       "      <td>Steroids and steroid derivatives</td>\n",
       "      <td>Lipids and lipid-like molecules</td>\n",
       "      <td>NaN</td>\n",
       "      <td>BHYOQNUELFTYRT-DPAQBDIFSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>883</th>\n",
       "      <td>883</td>\n",
       "      <td>EHETE</td>\n",
       "      <td>C20H30O4</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>C(CCCCCC=CC=CC=CC1=C(O1)O)CCCCCC(=O)O</td>\n",
       "      <td>InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-...</td>\n",
       "      <td>334.214409</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>139267243.0</td>\n",
       "      <td>...</td>\n",
       "      <td>18-(3-hydroxyoxiren-2-yl)octadeca-13,15,17-tri...</td>\n",
       "      <td>['epoxy-hydroxy-eicosatetraenoic acid']</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>334.40</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>UKMMYLXMVSMRAX-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>884</th>\n",
       "      <td>884</td>\n",
       "      <td>HHTrE</td>\n",
       "      <td>C16H26O3</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>CCCCCCCCCC=CC=CC=C(C(=O)O)O</td>\n",
       "      <td>InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-...</td>\n",
       "      <td>266.188195</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>129650825.0</td>\n",
       "      <td>...</td>\n",
       "      <td>2-hydroxyhexadeca-2,4,6-trienoic acid</td>\n",
       "      <td>['hydroxy hexadecatrienoic acid']</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>266.38</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NERZKBYSVCSUHD-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>885</th>\n",
       "      <td>885</td>\n",
       "      <td>EHHDE</td>\n",
       "      <td>C16H26O4</td>\n",
       "      <td>S.marinoi</td>\n",
       "      <td>C(CCCCCC=CC1=C(O1)O)CCCCCC(=O)O</td>\n",
       "      <td>InChI=1S/C16H26O4/c17-15(18)13-11-9-7-5-3-1-2-...</td>\n",
       "      <td>282.183109</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>139267073.0</td>\n",
       "      <td>...</td>\n",
       "      <td>14-(3-hydroxyoxiren-2-yl)tetradec-13-enoic acid</td>\n",
       "      <td>['epoxy-hydroxy-hexadecadienoic acid']</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>282.37</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>QOGJXLGUJRGOPZ-UHFFFAOYSA-N</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>886 rows × 23 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "     Unnamed: 0              CompoundName MolecularFormula  \\\n",
       "0             0  N-Acetyl-L-glutamic acid         C7H11NO5   \n",
       "1             1             Threonic acid           C4H8O5   \n",
       "2             2              L-citrulline        C6H13N3O3   \n",
       "3             3              DL-HISTIDINE         C6H9N3O2   \n",
       "4             4                DL-Leucine         C6H13NO2   \n",
       "..          ...                       ...              ...   \n",
       "881         881  Phosphatidylethanolamine        C9H18NO8P   \n",
       "882         882      cholesterol sulphate        C27H46O4S   \n",
       "883         883                     EHETE         C20H30O4   \n",
       "884         884                     HHTrE         C16H26O3   \n",
       "885         885                     EHHDE         C16H26O4   \n",
       "\n",
       "                        Species  \\\n",
       "0                    S. marinoi   \n",
       "1                    S. marinoi   \n",
       "2                   S. costatum   \n",
       "3    S. marinoi and S. costatum   \n",
       "4    S. marinoi and S. costatum   \n",
       "..                          ...   \n",
       "881                   S.marinoi   \n",
       "882                   S.marinoi   \n",
       "883                   S.marinoi   \n",
       "884                   S.marinoi   \n",
       "885                   S.marinoi   \n",
       "\n",
       "                                                SMILES  \\\n",
       "0                        CC(=O)N[C@@H](CCC(=O)O)C(=O)O   \n",
       "1                                   C(C(C(C(=O)O)O)O)O   \n",
       "2                          C(C[C@@H](C(=O)O)N)CNC(=O)N   \n",
       "3                                NC(Cc1c[nH]cn1)C(O)=O   \n",
       "4                                     CC(C)CC(N)C(O)=O   \n",
       "..                                                 ...   \n",
       "881               CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C   \n",
       "882  C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3...   \n",
       "883              C(CCCCCC=CC=CC=CC1=C(O1)O)CCCCCC(=O)O   \n",
       "884                        CCCCCCCCCC=CC=CC=C(C(=O)O)O   \n",
       "885                    C(CCCCCC=CC1=C(O1)O)CCCCCC(=O)O   \n",
       "\n",
       "                                                 InChI  MonoisotopicMass  \\\n",
       "0    InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)...        189.063723   \n",
       "1    InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1...        136.037173   \n",
       "2    InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12...        175.095691   \n",
       "3    InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h...        155.069477   \n",
       "4    InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7...        131.094629   \n",
       "..                                                 ...               ...   \n",
       "881  InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-...        299.077004   \n",
       "882  InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12...        466.311681   \n",
       "883  InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-...        334.214409   \n",
       "884  InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-...        266.188195   \n",
       "885  InChI=1S/C16H26O4/c17-15(18)13-11-9-7-5-3-1-2-...        282.183109   \n",
       "\n",
       "         ChEBIid  KEGGid    PubChemId  ...  \\\n",
       "0    CHEBI:44337  C00624      70914.0  ...   \n",
       "1    CHEBI:26984     NaN     439535.0  ...   \n",
       "2    CHEBI:16349  C00327       9750.0  ...   \n",
       "3    CHEBI:27570     NaN        773.0  ...   \n",
       "4    CHEBI:25017     NaN        857.0  ...   \n",
       "..           ...     ...          ...  ...   \n",
       "881          NaN     NaN    5327011.0  ...   \n",
       "882          NaN     NaN      65076.0  ...   \n",
       "883          NaN     NaN  139267243.0  ...   \n",
       "884          NaN     NaN  129650825.0  ...   \n",
       "885          NaN     NaN  139267073.0  ...   \n",
       "\n",
       "                                                 iupac  \\\n",
       "0                    (2S)-2-acetamidopentanedioic acid   \n",
       "1                        2,3,4-trihydroxybutanoic acid   \n",
       "2        (2S)-2-amino-5-(carbamoylamino)pentanoic acid   \n",
       "3           2-amino-3-(1H-imidazol-5-yl)propanoic acid   \n",
       "4                       2-amino-4-methylpentanoic acid   \n",
       "..                                                 ...   \n",
       "881  [(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)pho...   \n",
       "882  [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-...   \n",
       "883  18-(3-hydroxyoxiren-2-yl)octadeca-13,15,17-tri...   \n",
       "884              2-hydroxyhexadeca-2,4,6-trienoic acid   \n",
       "885    14-(3-hydroxyoxiren-2-yl)tetradec-13-enoic acid   \n",
       "\n",
       "                                               Synonym  \\\n",
       "0    ['N-Acetyl-L-glutamic acid', '1188-37-0', 'ace...   \n",
       "1                                                  NaN   \n",
       "2    ['L-citrulline', 'citrulline', '372-75-8', 'H-...   \n",
       "3    ['DL-HISTIDINE', '4998-57-6', 'H-DL-His-OH', '...   \n",
       "4    ['DL-Leucine', '328-39-2', 'H-DL-Leu-OH', '2-A...   \n",
       "..                                                 ...   \n",
       "881  ['UNII-7CMB6B4449', '7CMB6B4449', '[(2R)-2-ace...   \n",
       "882  ['Cholesterol sulfate', 'Cholesteryl sulfate',...   \n",
       "883            ['epoxy-hydroxy-eicosatetraenoic acid']   \n",
       "884                  ['hydroxy hexadecatrienoic acid']   \n",
       "885             ['epoxy-hydroxy-hexadecadienoic acid']   \n",
       "\n",
       "                    PubChemPY correct_CompoundName Molecular mass  \\\n",
       "0           checked; NEW name                  NaN         189.17   \n",
       "1    checked; structure added                  NaN         136.10   \n",
       "2           checked; NEW name                  NaN         175.19   \n",
       "3           checked; NEW name                  NaN         155.15   \n",
       "4           checked; NEW name                  NaN         131.17   \n",
       "..                        ...                  ...            ...   \n",
       "881                       NaN                  NaN         299.21   \n",
       "882                       NaN                  NaN         466.70   \n",
       "883                       NaN                  NaN         334.40   \n",
       "884                       NaN                  NaN         266.38   \n",
       "885                       NaN                  NaN         282.37   \n",
       "\n",
       "                                      subclass  \\\n",
       "0         Amino acids, peptides, and analogues   \n",
       "1    Carbohydrates and carbohydrate conjugates   \n",
       "2         Amino acids, peptides, and analogues   \n",
       "3         Amino acids, peptides, and analogues   \n",
       "4         Amino acids, peptides, and analogues   \n",
       "..                                         ...   \n",
       "881                Glycerophosphoethanolamines   \n",
       "882                        Cholestane steroids   \n",
       "883                                        NaN   \n",
       "884                                        NaN   \n",
       "885                                        NaN   \n",
       "\n",
       "                                class                       superclass  \\\n",
       "0    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "1              Organooxygen compounds         Organic oxygen compounds   \n",
       "2    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "3    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "4    Carboxylic acids and derivatives    Organic acids and derivatives   \n",
       "..                                ...                              ...   \n",
       "881              Glycerophospholipids  Lipids and lipid-like molecules   \n",
       "882  Steroids and steroid derivatives  Lipids and lipid-like molecules   \n",
       "883                               NaN                              NaN   \n",
       "884                               NaN                              NaN   \n",
       "885                               NaN                              NaN   \n",
       "\n",
       "    Enzymes                     InChIKey  \n",
       "0       NaN  RFMMMVDNIPUKGG-YFKPBYRVSA-N  \n",
       "1       NaN  JPIJQSOTBSSVTP-UHFFFAOYSA-N  \n",
       "2       NaN  RHGKLRLOHDJJDR-BYPYZUCNSA-N  \n",
       "3       NaN  HNDVDQJCIGZPNO-UHFFFAOYSA-N  \n",
       "4       NaN  ROHFNLRQFUQHCH-UHFFFAOYSA-N  \n",
       "..      ...                          ...  \n",
       "881     NaN  CFWRDBDJAOHXSH-SECBINFHSA-N  \n",
       "882     NaN  BHYOQNUELFTYRT-DPAQBDIFSA-N  \n",
       "883     NaN  UKMMYLXMVSMRAX-UHFFFAOYSA-N  \n",
       "884     NaN  NERZKBYSVCSUHD-UHFFFAOYSA-N  \n",
       "885     NaN  QOGJXLGUJRGOPZ-UHFFFAOYSA-N  \n",
       "\n",
       "[886 rows x 23 columns]"
      ]
     },
     "execution_count": 116,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SuspectList"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "3ddc8cf0",
   "metadata": {
    "scrolled": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "DS_201124_SC_full_PRM_pos_03\n",
      "DS_201124_SC_full_PRM_pos_04\n",
      "DS200309_Scost_QC_70k_neg_PRM\n",
      "DS_201124_SC_full_PRM_pos_05\n",
      "DS_201124_SC_full_PRM_pos_02\n",
      "DS_201124_SC_full_PRM_neg_03\n",
      "DS_201124_SC_full_PRM_neg_04\n",
      "DS200309_Scost_QC_70k_pos_PRM\n",
      "DS_201124_SC_full_PRM_neg_05\n",
      "DS_201124_SC_full_PRM_neg_02\n",
      "DS_201124_SC_full_PRM_neg_10\n",
      "DS_201124_SC_full_PRM_pos_10\n",
      "DS_201124_SC_full_PRM_pos_07\n",
      "DS_201124_SC_full_PRM_pos_09\n",
      "DS_201124_SC_full_PRM_pos_08\n",
      "DS_201124_SC_full_PRM_pos_01\n",
      "DS_201124_SC_full_PRM_pos_06\n",
      "DS_201124_SC_full_PRM_neg_07\n",
      "DS_201124_SC_full_PRM_neg_09\n",
      "DS_201124_SC_full_PRM_neg_08\n",
      "DS_201124_SC_full_PRM_neg_01\n",
      "DS_201124_SC_full_PRM_neg_06\n"
     ]
    }
   ],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "ddeafec8",
   "metadata": {},
   "outputs": [],
   "source": [
    "#DS_201124_SC_full_PRM_pos_09\n",
    "# DS200309_Scost_QC_70k_pos_PRM"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "7dfd4be2",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 114,
   "id": "a6e20519",
   "metadata": {},
   "outputs": [],
   "source": [
    "entry = path + \"/\" + \"DS_201124_SC_full_PRM_neg_01\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 115,
   "id": "ef4a80f1",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "<>:28: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:28: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:28: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:28: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "/var/folders/jv/vdzdtm6d3sj8l5148_cylr2r0000gn/T/ipykernel_29621/2811502922.py:28: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "  if ms is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
      "/var/folders/jv/vdzdtm6d3sj8l5148_cylr2r0000gn/T/ipykernel_29621/2811502922.py:28: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "  if ms is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n"
     ]
    }
   ],
   "source": [
    "sub_dir = \"/\" + entry + \"/spectral_dereplication/MassBank/\"\n",
    "if os.path.exists(sub_dir):\n",
    "    mbank_files = glob.glob(sub_dir + \"/*proc.csv\")\n",
    "    for file in mbank_files:\n",
    "\n",
    "        mbankproc = pd.read_csv(file)\n",
    "\n",
    "        if len(mbankproc) > 0:\n",
    "            for m, row in mbankproc.iterrows():\n",
    "                for s, row in SuspectList.iterrows():\n",
    "                    if (\n",
    "                        not isNaN(mbankproc[\"MBSMILES\"][m])\n",
    "                        and mbankproc[\"MBSMILES\"][m] != \" \"\n",
    "                    ):\n",
    "                        if (\n",
    "                            not isNaN(SuspectList[\"SMILES\"][s])\n",
    "                            and SuspectList[\"SMILES\"][s] != \" \"\n",
    "                        ):\n",
    "                            try:\n",
    "                                ms = Chem.MolFromSmiles(mbankproc[\"MBSMILES\"][m], sanitize=False)\n",
    "                                if ms is None:\n",
    "                                    mbankproc[\"MBSMILES\"][m] = \"invalid_SMILES\"\n",
    "                                else:\n",
    "                                    try:\n",
    "                                        Chem.SanitizeMol(ms)\n",
    "                                    except Exception:\n",
    "                                        mbankproc[\"MBSMILES\"][m] = \"invalid_chemistry\"\n",
    "                                if ms is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
    "                                    LHms2 = [\n",
    "                                        Chem.MolFromSmiles(\n",
    "                                            mbankproc[\"MBSMILES\"][m]\n",
    "                                        ),\n",
    "                                        Chem.MolFromSmiles(\n",
    "                                            SuspectList[\"SMILES\"][s]\n",
    "                                        ),\n",
    "                                    ]\n",
    "                                    LHfps2 = [\n",
    "                                        AllChem.GetMorganFingerprintAsBitVect(\n",
    "                                            x2, 2, nBits=2048\n",
    "                                        )\n",
    "                                        for x2 in LHms2\n",
    "                                    ]\n",
    "                                    LHtn2 = DataStructs.FingerprintSimilarity(\n",
    "                                        LHfps2[0], LHfps2[1]\n",
    "                                    )\n",
    "                                    if LHtn2 >= tanimoto:\n",
    "                                        mbankproc.loc[\n",
    "                                            m, \"SLMsmiles\"\n",
    "                                        ] = SuspectList[\"SMILES\"][s]\n",
    "                                        mbankproc.loc[\n",
    "                                            m, \"SLMname\"\n",
    "                                        ] = SuspectList['CompoundName'][s]\n",
    "                                        mbankproc.loc[m, \"SLMtanimoto\"] = LHtn2\n",
    "                            except:\n",
    "                                pass\n",
    "\n",
    "        mbankproc.to_csv(file)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 72,
   "id": "0291f7b3",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "<>:27: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:27: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:27: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:27: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "/var/folders/jv/vdzdtm6d3sj8l5148_cylr2r0000gn/T/ipykernel_29621/2196714948.py:27: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "  if m is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
      "/var/folders/jv/vdzdtm6d3sj8l5148_cylr2r0000gn/T/ipykernel_29621/2196714948.py:27: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "  if m is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n"
     ]
    }
   ],
   "source": [
    "sub_dir = entry + \"/spectral_dereplication/HMDB/\"\n",
    "if os.path.exists(sub_dir):\n",
    "    hmdb_files = glob.glob(sub_dir + \"/*proc.csv\")\n",
    "    for file in hmdb_files:\n",
    "\n",
    "        hmdbproc = pd.read_csv(file)\n",
    "        if len(hmdbproc) > 0:\n",
    "            for h, row in hmdbproc.iterrows():\n",
    "                for s, row in SuspectList.iterrows():\n",
    "                    if (\n",
    "                        not isNaN(hmdbproc[\"HMDBSMILES\"][h])\n",
    "                        and hmdbproc[\"HMDBSMILES\"][h] != \" \"\n",
    "                    ):\n",
    "                        if (\n",
    "                            not isNaN(SuspectList[\"SMILES\"][s])\n",
    "                            and SuspectList[\"SMILES\"][s] != \" \"\n",
    "                        ):\n",
    "                            try:\n",
    "                                m = Chem.MolFromSmiles(hmdbproc[\"HMDBSMILES\"][h], sanitize=False)\n",
    "                                if m is None:\n",
    "                                    hmdbproc[\"HMDBSMILES\"][h] = \"invalid_SMILES\"\n",
    "                                else:\n",
    "                                    try:\n",
    "                                        Chem.SanitizeMol(m)\n",
    "                                    except Exception:\n",
    "                                        hmdbproc[\"HMDBSMILES\"][h] = \"invalid_chemistry\"\n",
    "                                if m is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
    "                                    LHms2 = [\n",
    "                                        Chem.MolFromSmiles(\n",
    "                                            hmdbproc[\"HMDBSMILES\"][h]\n",
    "                                        ),\n",
    "                                        Chem.MolFromSmiles(\n",
    "                                            SuspectList[\"SMILES\"][s]\n",
    "                                        ),\n",
    "                                    ]\n",
    "                                    LHfps2 = [\n",
    "                                        AllChem.GetMorganFingerprintAsBitVect(\n",
    "                                            x2, 2, nBits=2048\n",
    "                                        )\n",
    "                                        for x2 in LHms2\n",
    "                                    ]\n",
    "                                    LHtn2 = DataStructs.FingerprintSimilarity(\n",
    "                                        LHfps2[0], LHfps2[1]\n",
    "                                    )\n",
    "                                    if LHtn2 >= 0.99:\n",
    "                                        hmdbproc.loc[\n",
    "                                            h, \"SLHsmiles\"\n",
    "                                        ] = SuspectList[\"SMILES\"][s]\n",
    "                                        hmdbproc.loc[\n",
    "                                            h, \"SLHname\"\n",
    "                                        ] = SuspectList['CompoundName'][s]\n",
    "                                        hmdbproc.loc[h, \"SLHtanimoto\"] = LHtn2\n",
    "                            except:\n",
    "                                pass\n",
    "\n",
    "        hmdbproc.to_csv(file)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "c6816abf",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "<>:26: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:26: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:26: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "<>:26: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "/var/folders/jv/vdzdtm6d3sj8l5148_cylr2r0000gn/T/ipykernel_29621/4256630829.py:26: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "  if m is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
      "/var/folders/jv/vdzdtm6d3sj8l5148_cylr2r0000gn/T/ipykernel_29621/4256630829.py:26: SyntaxWarning: \"is not\" with a literal. Did you mean \"!=\"?\n",
      "  if m is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: N/ACCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\\\CCCCCCCC\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: N/ACCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\\\CCCCCCCC\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'N/ACCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\\\CCCCCCCC' for input: 'N/ACCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\\\CCCCCCCC'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'N/ACCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\\\CCCCCCCC' for input: 'N/ACCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\\\CCCCCCCC'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SRDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax erroRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50]RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for inRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "put: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsinRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "g SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES ParsRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invaliRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'inRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "valid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalidRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: synRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "tax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[1RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "1:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILESRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: FaileRDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error whRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ile parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMIRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "LES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input:RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILERDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "S Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing:RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse ErRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ror: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invaliRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse ErroRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMIRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "LES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      ":50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' foRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed paRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:5RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "0] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'inRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "valid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILESRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES PaRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "alid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error:RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILESRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: FRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ailed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50]RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for inRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "put: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsinRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "g SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES ParsRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invaliRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "d_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'inRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "valid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalidRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: synRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "tax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: FaileRDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMIRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "LES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input:RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invaliRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMIRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "LES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      ":50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' foRDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed paRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:5RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "0] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES PaRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "rse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "alid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES ParsRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "e Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invaliRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'inRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "valid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalidRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: synRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "tax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[1RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "1:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILESRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: FaileRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error whRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "ile parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMIRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "LES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input:RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      " 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILERDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "S Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:50] SMILES Parse Error: syntax error while parsing:RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " invalid_SMILES\n",
      "[11:04:50] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse ErRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ror: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invaliRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse ErroRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMIRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "LES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      ":51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' foRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed paRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:5RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "1] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'inRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "valid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "alid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error:RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      " syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILESRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: FRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "ailed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for inRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "put: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsinRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "g SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "MILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES ParsRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalidRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: synRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "tax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[1RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "1:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILESRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: FaileRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error whRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "ile parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invaliRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse ErroRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMIRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "LES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      ":51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' foRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "r input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'inRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "valid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILESRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      " 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES PaRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "alid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error:RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILESRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: FRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ailed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax erroRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51]RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsinRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "g SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "MILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES ParsRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invaliRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "d_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'inRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "valid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[1RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "1:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for inpuRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "t: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMIRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "LES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsinRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "g: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invaRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "lid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse ErRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ror: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntaRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "x error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      ":51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error whilRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILERDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "S Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: iRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "nvalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse ErroRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "r: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error:RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILERDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "S\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax erRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ror while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:5RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "1] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51]RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while paRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES PaRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invaRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "lid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES ParsRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "id_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: sRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "yntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: FaiRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "led parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[1RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "1:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "MILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for inpuRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "t: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsinRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "g: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invaRDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "lid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse ErRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "ror: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SRDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntaRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "x error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:51] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:51] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52]RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      " SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while paRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES PaRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "rse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invaRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "lid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES ParsRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "e Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "id_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: sRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "yntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "ES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: FaiRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "led parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[1RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "1:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "MILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMIRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "LES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsinRDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "g: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "RDKit ERROR: [11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n",
      "[11:04:52] SMILES Parse Error: syntax error while parsing: invalid_SMILES\n",
      "[11:04:52] SMILES Parse Error: Failed parsing SMILES 'invalid_SMILES' for input: 'invalid_SMILES'\n"
     ]
    }
   ],
   "source": [
    "sub_dir = entry + \"/spectral_dereplication/GNPS/\"\n",
    "if os.path.exists(sub_dir):\n",
    "    gnps_files = glob.glob(sub_dir + \"/*proc.csv\")\n",
    "    for file in gnps_files:\n",
    "        gnpsproc = pd.read_csv(file)\n",
    "        if len(gnpsproc) > 0:\n",
    "            for g, row in gnpsproc.iterrows():\n",
    "                for s, row in SuspectList.iterrows():\n",
    "                    if (\n",
    "                        not isNaN(gnpsproc[\"GNPSSMILES\"][g])\n",
    "                        and gnpsproc[\"GNPSSMILES\"][g] != \" \"\n",
    "                    ):\n",
    "                        if (\n",
    "                            not isNaN(SuspectList[\"SMILES\"][s])\n",
    "                            and SuspectList[\"SMILES\"][s] != \" \"\n",
    "                        ):\n",
    "                            try:\n",
    "                                m = Chem.MolFromSmiles(gnpsproc[\"GNPSSMILES\"][g], sanitize=False)\n",
    "                                if m is None:\n",
    "                                    gnpsproc[\"GNPSSMILES\"][g] = \"invalid_SMILES\"\n",
    "                                else:\n",
    "                                    try:\n",
    "                                        Chem.SanitizeMol(m)\n",
    "                                    except Exception:\n",
    "                                        gnpsproc[\"GNPSSMILES\"][g] = \"invalid_chemistry\"\n",
    "                                if m is not \"invalid_SMILES\" or m is not \"invalid_chemistry\":\n",
    "                                    LHms2 = [\n",
    "                                        Chem.MolFromSmiles(\n",
    "                                            gnpsproc[\"GNPSSMILES\"][g]\n",
    "                                        ),\n",
    "                                        Chem.MolFromSmiles(\n",
    "                                            SuspectList[\"SMILES\"][s]\n",
    "                                        ),\n",
    "                                    ]\n",
    "                                    LHfps2 = [\n",
    "                                        AllChem.GetMorganFingerprintAsBitVect(\n",
    "                                            x2, 2, nBits=2048\n",
    "                                        )\n",
    "                                        for x2 in LHms2\n",
    "                                    ]\n",
    "                                    LHtn2 = DataStructs.FingerprintSimilarity(\n",
    "                                        LHfps2[0], LHfps2[1]\n",
    "                                    )\n",
    "                                    if LHtn2 >= 0.99:\n",
    "                                        gnpsproc.loc[\n",
    "                                            g, \"SLGsmiles\"\n",
    "                                        ] = SuspectList[\"SMILES\"][s]\n",
    "                                        gnpsproc.loc[\n",
    "                                            g, \"SLGname\"\n",
    "                                        ] = SuspectList['CompoundName'][s]\n",
    "                                        gnpsproc.loc[g, \"SLGtanimoto\"] = LHtn2\n",
    "                            except:\n",
    "                                pass\n",
    "        gnpsproc.to_csv(file)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "d6bd94b4",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "548fc2c8",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "7e286e16",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "97b02740",
   "metadata": {},
   "outputs": [],
   "source": [
    "def SuspectListScreening(input_dir, SuspectListPath, tanimoto, Source):\n",
    "    def isNaN(string):\n",
    "        return string != string\n",
    "\n",
    "    SuspectList = pd.read_csv(SuspectListPath)\n",
    "\n",
    "    for entry in os.listdir(input_dir):\n",
    "\n",
    "        if os.path.isdir(os.path.join(input_dir, entry)):\n",
    "\n",
    "            if Source == \"gnps\" or Source == \"specdb\" or Source == \"all\":\n",
    "\n",
    "                sub_dir = input_dir + \"/\" + entry + \"/spectral_dereplication/GNPS/\"\n",
    "                if os.path.exists(sub_dir):\n",
    "                    gnps_files = glob.glob(sub_dir + \"/*proc.csv\")\n",
    "                    for file in gnps_files:\n",
    "                        gnpsproc = pd.read_csv(file)\n",
    "                        if len(gnpsproc) > 0:\n",
    "                            for g, row in gnpsproc.iterrows():\n",
    "                                for s, row in SuspectList.iterrows():\n",
    "                                    if (\n",
    "                                        not isNaN(gnpsproc[\"GNPSSMILES\"][g])\n",
    "                                        and gnpsproc[\"GNPSSMILES\"][g] != \" \"\n",
    "                                    ):\n",
    "                                        if (\n",
    "                                            not isNaN(SuspectList[\"SMILES\"][s])\n",
    "                                            and SuspectList[\"SMILES\"][s] != \" \"\n",
    "                                        ):\n",
    "                                            LHms2 = [\n",
    "                                                Chem.MolFromSmiles(\n",
    "                                                    gnpsproc[\"GNPSSMILES\"][g]\n",
    "                                                ),\n",
    "                                                Chem.MolFromSmiles(\n",
    "                                                    SuspectList[\"SMILES\"][s]\n",
    "                                                ),\n",
    "                                            ]\n",
    "                                            LHfps2 = [\n",
    "                                                AllChem.GetMorganFingerprintAsBitVect(\n",
    "                                                    x2, 2, nBits=2048\n",
    "                                                )\n",
    "                                                for x2 in LHms2\n",
    "                                            ]\n",
    "                                            LHtn2 = DataStructs.FingerprintSimilarity(\n",
    "                                                LHfps2[0], LHfps2[1]\n",
    "                                            )\n",
    "                                            if LHtn2 >= tanimoto:\n",
    "                                                gnpsproc.loc[\n",
    "                                                    g, \"SLGsmiles\"\n",
    "                                                ] = SuspectList[\"SMILES\"][s]\n",
    "                                                gnpsproc.loc[\n",
    "                                                    g, \"SLGname\"\n",
    "                                                ] = SuspectList['CompoundName'][s]\n",
    "                                                gnpsproc.loc[g, \"SLGtanimoto\"] = LHtn2\n",
    "                        gnpsproc.to_csv(file)\n",
    "                        return gnpsproc\n",
    "            if Source == \"hmdb\" or Source == \"specdb\" or Source == \"all\":\n",
    "\n",
    "                sub_dir = input_dir + \"/\" + entry + \"/spectral_dereplication/HMDB/\"\n",
    "                if os.path.exists(sub_dir):\n",
    "                    hmdb_files = glob.glob(sub_dir + \"/*proc.csv\")\n",
    "                    for file in hmdb_files:\n",
    "\n",
    "                        hmdbproc = pd.read_csv(file)\n",
    "                        if len(hmdbproc) > 0:\n",
    "                            for h, row in hmdbproc.iterrows():\n",
    "                                for s, row in SuspectList.iterrows():\n",
    "                                    if (\n",
    "                                        not isNaN(hmdbproc[\"HMDBSMILES\"][h])\n",
    "                                        and hmdbproc[\"HMDBSMILES\"][h] != \" \"\n",
    "                                    ):\n",
    "                                        if (\n",
    "                                            not isNaN(SuspectList[\"SMILES\"][s])\n",
    "                                            and SuspectList[\"SMILES\"][s] != \" \"\n",
    "                                        ):\n",
    "                                            LHms2 = [\n",
    "                                                Chem.MolFromSmiles(\n",
    "                                                    hmdbproc[\"HMDBSMILES\"][h]\n",
    "                                                ),\n",
    "                                                Chem.MolFromSmiles(\n",
    "                                                    SuspectList[\"SMILES\"][s]\n",
    "                                                ),\n",
    "                                            ]\n",
    "                                            LHfps2 = [\n",
    "                                                AllChem.GetMorganFingerprintAsBitVect(\n",
    "                                                    x2, 2, nBits=2048\n",
    "                                                )\n",
    "                                                for x2 in LHms2\n",
    "                                            ]\n",
    "                                            LHtn2 = DataStructs.FingerprintSimilarity(\n",
    "                                                LHfps2[0], LHfps2[1]\n",
    "                                            )\n",
    "                                            if LHtn2 >= tanimoto:\n",
    "                                                hmdbproc.loc[\n",
    "                                                    h, \"SLHsmiles\"\n",
    "                                                ] = SuspectList[\"SMILES\"][s]\n",
    "                                                hmdbproc.loc[\n",
    "                                                    h, \"SLHname\"\n",
    "                                                ] = SuspectList['CompoundName'][s]\n",
    "                                                hmdbproc.loc[h, \"SLHtanimoto\"] = LHtn2\n",
    "\n",
    "                        hmdbproc.to_csv(file)\n",
    "                        return hmdbproc\n",
    "\n",
    "            if Source == \"mbank\" or Source == \"specdb\" or Source == \"all\":\n",
    "\n",
    "                sub_dir = input_dir + \"/\" + entry + \"/spectral_dereplication/MassBank/\"\n",
    "                if os.path.exists(sub_dir):\n",
    "                    mbank_files = glob.glob(sub_dir + \"/*proc.csv\")\n",
    "                    for file in mbank_files:\n",
    "\n",
    "                        mbankproc = pd.read_csv(file)\n",
    "\n",
    "                        if len(mbankproc) > 0:\n",
    "                            for m, row in mbankproc.iterrows():\n",
    "                                for s, row in SuspectList.iterrows():\n",
    "                                    if (\n",
    "                                        not isNaN(mbankproc[\"MBSMILES\"][m])\n",
    "                                        and mbankproc[\"MBSMILES\"][m] != \" \"\n",
    "                                    ):\n",
    "                                        if (\n",
    "                                            not isNaN(SuspectList[\"SMILES\"][s])\n",
    "                                            and SuspectList[\"SMILES\"][s] != \" \"\n",
    "                                        ):\n",
    "                                            LHms2 = [\n",
    "                                                Chem.MolFromSmiles(\n",
    "                                                    mbankproc[\"MBSMILES\"][m]\n",
    "                                                ),\n",
    "                                                Chem.MolFromSmiles(\n",
    "                                                    SuspectList[\"SMILES\"][s]\n",
    "                                                ),\n",
    "                                            ]\n",
    "                                            LHfps2 = [\n",
    "                                                AllChem.GetMorganFingerprintAsBitVect(\n",
    "                                                    x2, 2, nBits=2048\n",
    "                                                )\n",
    "                                                for x2 in LHms2\n",
    "                                            ]\n",
    "                                            LHtn2 = DataStructs.FingerprintSimilarity(\n",
    "                                                LHfps2[0], LHfps2[1]\n",
    "                                            )\n",
    "                                            if LHtn2 >= tanimoto:\n",
    "                                                mbankproc.loc[\n",
    "                                                    m, \"SLMsmiles\"\n",
    "                                                ] = SuspectList[\"SMILES\"][s]\n",
    "                                                mbankproc.loc[\n",
    "                                                    m, \"SLMname\"\n",
    "                                                ] = SuspectList['CompoundName'][s]\n",
    "                                                mbankproc.loc[m, \"SLMtanimoto\"] = LHtn2\n",
    "\n",
    "                        mbankproc.to_csv(file)\n",
    "                        return mbankproc"
   ]
  }
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