Drug_Discover_by_machine_learning_model_(part_3).ipynb

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  "metadata": {
    "colab": {
      "provenance": [],
      "authorship_tag": "ABX9TyNcN9b5B1OwqsrCQn6Sw81s",
      "include_colab_link": true
    },
    "kernelspec": {
      "name": "python3",
      "display_name": "Python 3"
    },
    "language_info": {
      "name": "python"
    }
  },
  "cells": [
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "view-in-github",
        "colab_type": "text"
      },
      "source": [
        "<a href=\"https://colab.research.google.com/github/nousintasnia/Bioinformatic-project/blob/main/Drug_Discover_by_machine_learning_model_(part_3).ipynb\" target=\"_parent\"><img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/></a>"
      ]
    },
    {
      "cell_type": "markdown",
      "source": [
        "Download PaDEL-Descriptor"
      ],
      "metadata": {
        "id": "nxwlaNP0lfpW"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "! wget https://github.com/dataprofessor/bioinformatics/raw/master/padel.zip\n",
        "! wget https://github.com/dataprofessor/bioinformatics/raw/master/padel.sh"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "KXEZz2NCliPH",
        "outputId": "0c364df0-ae96-4a00-c71c-da4753736d06"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "--2023-11-23 14:30:07--  https://github.com/dataprofessor/bioinformatics/raw/master/padel.zip\n",
            "Resolving github.com (github.com)... 20.27.177.113\n",
            "Connecting to github.com (github.com)|20.27.177.113|:443... connected.\n",
            "HTTP request sent, awaiting response... 302 Found\n",
            "Location: https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.zip [following]\n",
            "--2023-11-23 14:30:07--  https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.zip\n",
            "Resolving raw.githubusercontent.com (raw.githubusercontent.com)... 185.199.110.133, 185.199.111.133, 185.199.109.133, ...\n",
            "Connecting to raw.githubusercontent.com (raw.githubusercontent.com)|185.199.110.133|:443... connected.\n",
            "HTTP request sent, awaiting response... 200 OK\n",
            "Length: 25768637 (25M) [application/zip]\n",
            "Saving to: ‘padel.zip’\n",
            "\n",
            "padel.zip           100%[===================>]  24.57M  52.5MB/s    in 0.5s    \n",
            "\n",
            "2023-11-23 14:30:09 (52.5 MB/s) - ‘padel.zip’ saved [25768637/25768637]\n",
            "\n",
            "--2023-11-23 14:30:09--  https://github.com/dataprofessor/bioinformatics/raw/master/padel.sh\n",
            "Resolving github.com (github.com)... 20.27.177.113\n",
            "Connecting to github.com (github.com)|20.27.177.113|:443... connected.\n",
            "HTTP request sent, awaiting response... 302 Found\n",
            "Location: https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.sh [following]\n",
            "--2023-11-23 14:30:10--  https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.sh\n",
            "Resolving raw.githubusercontent.com (raw.githubusercontent.com)... 185.199.108.133, 185.199.109.133, 185.199.110.133, ...\n",
            "Connecting to raw.githubusercontent.com (raw.githubusercontent.com)|185.199.108.133|:443... connected.\n",
            "HTTP request sent, awaiting response... 200 OK\n",
            "Length: 231 [text/plain]\n",
            "Saving to: ‘padel.sh’\n",
            "\n",
            "padel.sh            100%[===================>]     231  --.-KB/s    in 0s      \n",
            "\n",
            "2023-11-23 14:30:10 (12.5 MB/s) - ‘padel.sh’ saved [231/231]\n",
            "\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "! unzip padel.zip"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "eD6fLq7wlvY9",
        "outputId": "cfdbdbed-584c-4493-d02a-fc52de46477c"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Archive:  padel.zip\n",
            "   creating: PaDEL-Descriptor/\n",
            "  inflating: __MACOSX/._PaDEL-Descriptor  \n",
            "  inflating: PaDEL-Descriptor/MACCSFingerprinter.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._MACCSFingerprinter.xml  \n",
            "  inflating: PaDEL-Descriptor/AtomPairs2DFingerprinter.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._AtomPairs2DFingerprinter.xml  \n",
            "  inflating: PaDEL-Descriptor/EStateFingerprinter.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._EStateFingerprinter.xml  \n",
            "  inflating: PaDEL-Descriptor/Fingerprinter.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._Fingerprinter.xml  \n",
            "  inflating: PaDEL-Descriptor/.DS_Store  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._.DS_Store  \n",
            "   creating: PaDEL-Descriptor/license/\n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._license  \n",
            "  inflating: PaDEL-Descriptor/KlekotaRothFingerprintCount.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._KlekotaRothFingerprintCount.xml  \n",
            "  inflating: PaDEL-Descriptor/config  \n",
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            "  inflating: PaDEL-Descriptor/PubchemFingerprinter.xml  \n",
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            "  inflating: PaDEL-Descriptor/KlekotaRothFingerprinter.xml  \n",
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            "  inflating: PaDEL-Descriptor/GraphOnlyFingerprinter.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._GraphOnlyFingerprinter.xml  \n",
            "  inflating: PaDEL-Descriptor/SubstructureFingerprinter.xml  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/._SubstructureFingerprinter.xml  \n",
            "  inflating: PaDEL-Descriptor/Descriptors.xls  \n",
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            "   creating: PaDEL-Descriptor/lib/\n",
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            "  inflating: PaDEL-Descriptor/PaDEL-Descriptor.jar  \n",
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            "  inflating: PaDEL-Descriptor/license/lgpl-2.1.txt  \n",
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            "  inflating: PaDEL-Descriptor/license/README - CDK  \n",
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            "  inflating: PaDEL-Descriptor/lib/ambit2-core-2.4.7-SNAPSHOT(3).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-core-2.4.7-SNAPSHOT(3).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(6).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(6).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0(4).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(2).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(2).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/xom-1.1(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._xom-1.1(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/swing-worker-1.1.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._swing-worker-1.1.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(3).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(3).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0(5).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jgrapht-0.6.0(5).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jama(1).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/appframework-1.0.3.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._appframework-1.0.3.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(7).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(7).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/vecmath1.2-1.14.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._vecmath1.2-1.14.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-smarts-2.4.7-SNAPSHOT(6).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Descriptor(3).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Descriptor(3).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(4).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(4).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-base-2.4.7-SNAPSHOT.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-base-2.4.7-SNAPSHOT.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-smarts-2.4.7-SNAPSHOT(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-smarts-2.4.7-SNAPSHOT(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(8).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(8).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jgrapht-0.6.0.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-core-2.4.7-SNAPSHOT(4).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-core-2.4.7-SNAPSHOT(4).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/xom-1.1.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._xom-1.1.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(5).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(5).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Descriptor(2).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0(3).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jgrapht-0.6.0(3).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(6).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(6).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Descriptor(1).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/jama(4).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jama(4).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(2).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(2).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-smarts-2.4.7-SNAPSHOT(3).jar  \n",
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            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(3).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(3).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/l2fprod-common-all(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._l2fprod-common-all(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jama.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jama.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/l2fprod-common-all.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._l2fprod-common-all.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jama(5).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jama(5).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jgrapht-0.6.0(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(7).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(7).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Descriptor.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Descriptor.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(4).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(4).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/cdk-1.4.15.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._cdk-1.4.15.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-smarts-2.4.7-SNAPSHOT(5).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-smarts-2.4.7-SNAPSHOT(5).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-core-2.4.7-SNAPSHOT(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-core-2.4.7-SNAPSHOT(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(8).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(8).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0(6).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jgrapht-0.6.0(6).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jama(2).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jama(2).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/jama(3).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._jama(3).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/commons-cli-1.2(1).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(1).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/guava-17.0.jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._guava-17.0.jar  \n",
            "  inflating: PaDEL-Descriptor/lib/ambit2-smarts-2.4.7-SNAPSHOT(4).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-smarts-2.4.7-SNAPSHOT(4).jar  \n",
            "  inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(5).jar  \n",
            "  inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(5).jar  \n"
          ]
        }
      ]
    },
    {
      "cell_type": "markdown",
      "source": [
        "Load bioactivity data"
      ],
      "metadata": {
        "id": "EKnU5bQcl4v1"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "! wget https://github.com/nousintasnia/Bioinformatic-project/blob/main/acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "HHjZnZ39l5tH",
        "outputId": "7ef78948-716b-419a-f69c-6588577b868d"
      },
      "execution_count": 19,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "--2023-11-23 16:23:40--  https://github.com/nousintasnia/Bioinformatic-project/blob/main/acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv\n",
            "Resolving github.com (github.com)... 20.27.177.113\n",
            "Connecting to github.com (github.com)|20.27.177.113|:443... connected.\n",
            "HTTP request sent, awaiting response... 200 OK\n",
            "Length: 684478 (668K) [text/plain]\n",
            "Saving to: ‘acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv.1’\n",
            "\n",
            "acetylcholinesteras 100%[===================>] 668.44K  2.02MB/s    in 0.3s    \n",
            "\n",
            "2023-11-23 16:23:41 (2.02 MB/s) - ‘acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv.1’ saved [684478/684478]\n",
            "\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "import pandas as pd"
      ],
      "metadata": {
        "id": "2mzJndvVmCCB"
      },
      "execution_count": 20,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "df3 = pd.read_csv('acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv')"
      ],
      "metadata": {
        "id": "9RiNNqBtly9j"
      },
      "execution_count": 21,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "df3"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 582
        },
        "id": "IqzlJVu_mM_4",
        "outputId": "c68efcac-7d33-4055-a384-cacdf4be4b2d"
      },
      "execution_count": 22,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "      Unnamed: 0 molecule_chembl_id  \\\n",
              "0              0       CHEMBL133897   \n",
              "1              1       CHEMBL336398   \n",
              "2              2       CHEMBL131588   \n",
              "3              3       CHEMBL130628   \n",
              "4              4       CHEMBL130478   \n",
              "...          ...                ...   \n",
              "4690        4690      CHEMBL4293155   \n",
              "4691        4691      CHEMBL4282558   \n",
              "4692        4692      CHEMBL4281727   \n",
              "4693        4693      CHEMBL4292349   \n",
              "4694        4694      CHEMBL4278260   \n",
              "\n",
              "                                       canonical_smiles         class  \\\n",
              "0                 CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1        active   \n",
              "1            O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1        active   \n",
              "2     CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1      inactive   \n",
              "3         O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F        active   \n",
              "4             CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)C        active   \n",
              "...                                                 ...           ...   \n",
              "4690  CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3Cl)CC...  intermediate   \n",
              "4691  CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc(Cl)c3)...  intermediate   \n",
              "4692  CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(Br)cc3)...  intermediate   \n",
              "4693  CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc([N+](=...  intermediate   \n",
              "4694  CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(C#N)cc3...  intermediate   \n",
              "\n",
              "           MW     LogP  NumHDonors  NumHAcceptors     pIC50  \n",
              "0     312.325  2.80320         0.0            6.0  6.124939  \n",
              "1     376.913  4.55460         0.0            5.0  7.000000  \n",
              "2     426.851  5.35740         0.0            5.0  4.301030  \n",
              "3     404.845  4.70690         0.0            5.0  6.522879  \n",
              "4     346.334  3.09530         0.0            6.0  6.096910  \n",
              "...       ...      ...         ...            ...       ...  \n",
              "4690  511.150  7.07230         2.0            3.0  5.612610  \n",
              "4691  511.150  7.07230         2.0            3.0  5.595166  \n",
              "4692  555.601  7.18140         2.0            3.0  5.419075  \n",
              "4693  521.702  6.32710         2.0            5.0  5.460924  \n",
              "4694  501.715  6.29058         2.0            4.0  5.555955  \n",
              "\n",
              "[4695 rows x 9 columns]"
            ],
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              "  <thead>\n",
              "    <tr style=\"text-align: right;\">\n",
              "      <th></th>\n",
              "      <th>Unnamed: 0</th>\n",
              "      <th>molecule_chembl_id</th>\n",
              "      <th>canonical_smiles</th>\n",
              "      <th>class</th>\n",
              "      <th>MW</th>\n",
              "      <th>LogP</th>\n",
              "      <th>NumHDonors</th>\n",
              "      <th>NumHAcceptors</th>\n",
              "      <th>pIC50</th>\n",
              "    </tr>\n",
              "  </thead>\n",
              "  <tbody>\n",
              "    <tr>\n",
              "      <th>0</th>\n",
              "      <td>0</td>\n",
              "      <td>CHEMBL133897</td>\n",
              "      <td>CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1</td>\n",
              "      <td>active</td>\n",
              "      <td>312.325</td>\n",
              "      <td>2.80320</td>\n",
              "      <td>0.0</td>\n",
              "      <td>6.0</td>\n",
              "      <td>6.124939</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>1</th>\n",
              "      <td>1</td>\n",
              "      <td>CHEMBL336398</td>\n",
              "      <td>O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1</td>\n",
              "      <td>active</td>\n",
              "      <td>376.913</td>\n",
              "      <td>4.55460</td>\n",
              "      <td>0.0</td>\n",
              "      <td>5.0</td>\n",
              "      <td>7.000000</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>2</th>\n",
              "      <td>2</td>\n",
              "      <td>CHEMBL131588</td>\n",
              "      <td>CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1</td>\n",
              "      <td>inactive</td>\n",
              "      <td>426.851</td>\n",
              "      <td>5.35740</td>\n",
              "      <td>0.0</td>\n",
              "      <td>5.0</td>\n",
              "      <td>4.301030</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>3</th>\n",
              "      <td>3</td>\n",
              "      <td>CHEMBL130628</td>\n",
              "      <td>O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F</td>\n",
              "      <td>active</td>\n",
              "      <td>404.845</td>\n",
              "      <td>4.70690</td>\n",
              "      <td>0.0</td>\n",
              "      <td>5.0</td>\n",
              "      <td>6.522879</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4</th>\n",
              "      <td>4</td>\n",
              "      <td>CHEMBL130478</td>\n",
              "      <td>CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)C</td>\n",
              "      <td>active</td>\n",
              "      <td>346.334</td>\n",
              "      <td>3.09530</td>\n",
              "      <td>0.0</td>\n",
              "      <td>6.0</td>\n",
              "      <td>6.096910</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",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4690</th>\n",
              "      <td>4690</td>\n",
              "      <td>CHEMBL4293155</td>\n",
              "      <td>CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3Cl)CC...</td>\n",
              "      <td>intermediate</td>\n",
              "      <td>511.150</td>\n",
              "      <td>7.07230</td>\n",
              "      <td>2.0</td>\n",
              "      <td>3.0</td>\n",
              "      <td>5.612610</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4691</th>\n",
              "      <td>4691</td>\n",
              "      <td>CHEMBL4282558</td>\n",
              "      <td>CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc(Cl)c3)...</td>\n",
              "      <td>intermediate</td>\n",
              "      <td>511.150</td>\n",
              "      <td>7.07230</td>\n",
              "      <td>2.0</td>\n",
              "      <td>3.0</td>\n",
              "      <td>5.595166</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4692</th>\n",
              "      <td>4692</td>\n",
              "      <td>CHEMBL4281727</td>\n",
              "      <td>CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(Br)cc3)...</td>\n",
              "      <td>intermediate</td>\n",
              "      <td>555.601</td>\n",
              "      <td>7.18140</td>\n",
              "      <td>2.0</td>\n",
              "      <td>3.0</td>\n",
              "      <td>5.419075</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4693</th>\n",
              "      <td>4693</td>\n",
              "      <td>CHEMBL4292349</td>\n",
              "      <td>CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc([N+](=...</td>\n",
              "      <td>intermediate</td>\n",
              "      <td>521.702</td>\n",
              "      <td>6.32710</td>\n",
              "      <td>2.0</td>\n",
              "      <td>5.0</td>\n",
              "      <td>5.460924</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4694</th>\n",
              "      <td>4694</td>\n",
              "      <td>CHEMBL4278260</td>\n",
              "      <td>CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(C#N)cc3...</td>\n",
              "      <td>intermediate</td>\n",
              "      <td>501.715</td>\n",
              "      <td>6.29058</td>\n",
              "      <td>2.0</td>\n",
              "      <td>4.0</td>\n",
              "      <td>5.555955</td>\n",
              "    </tr>\n",
              "  </tbody>\n",
              "</table>\n",
              "<p>4695 rows × 9 columns</p>\n",
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              "    </div>\n",
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            ]
          },
          "metadata": {},
          "execution_count": 22
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "selection = ['canonical_smiles','molecule_chembl_id']\n",
        "df3_selection = df3[selection]\n",
        "df3_selection.to_csv('molecule.smi', sep='\\t', index=False, header=False)"
      ],
      "metadata": {
        "id": "P3gH46DzmQtE"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "! cat molecule.smi | head -5"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "6DffHOzHmW18",
        "outputId": "9459a0b8-1fd9-4ea0-e5bc-e8e519aca45b"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1\tCHEMBL133897\n",
            "O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1\tCHEMBL336398\n",
            "CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1\tCHEMBL131588\n",
            "O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F\tCHEMBL130628\n",
            "CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)C\tCHEMBL130478\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "! cat molecule.smi | wc -l"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "ZN9PYh82mbR9",
        "outputId": "5a37d638-c47f-4934-bdd5-1eae5fcd272e"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "4695\n"
          ]
        }
      ]
    },
    {
      "cell_type": "markdown",
      "source": [
        "Calculate fingerprint descriptors\n",
        "Calculate PaDEL descriptors"
      ],
      "metadata": {
        "id": "1-y_VFygmk3L"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "! cat padel.sh"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "6Ocjcc5ymfs4",
        "outputId": "ed01b73f-b072-40b1-921a-c593c74638e3"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "java -Xms1G -Xmx1G -Djava.awt.headless=true -jar ./PaDEL-Descriptor/PaDEL-Descriptor.jar -removesalt -standardizenitro -fingerprints -descriptortypes ./PaDEL-Descriptor/PubchemFingerprinter.xml -dir ./ -file descriptors_output.csv\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "! bash padel.sh"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "7T7jtANfm3QL",
        "outputId": "817397d9-1a28-4949-efe1-df56332a94e1"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Processing CHEMBL336398 in molecule.smi (2/4695). \n",
            "Processing CHEMBL133897 in molecule.smi (1/4695). \n",
            "Processing CHEMBL131588 in molecule.smi (3/4695). Average speed: 7.78 s/mol.\n",
            "Processing CHEMBL130628 in molecule.smi (4/4695). Average speed: 3.94 s/mol.\n",
            "Processing CHEMBL130478 in molecule.smi (5/4695). Average speed: 2.95 s/mol.\n",
            "Processing CHEMBL130112 in molecule.smi (6/4695). Average speed: 2.22 s/mol.\n",
            "Processing CHEMBL337486 in molecule.smi (8/4695). Average speed: 1.63 s/mol.\n",
            "Processing CHEMBL130098 in molecule.smi (7/4695). Average speed: 1.91 s/mol.\n",
            "Processing CHEMBL336538 in molecule.smi (9/4695). Average speed: 1.41 s/mol.\n",
            "Processing CHEMBL341437 in molecule.smi (11/4695). Average speed: 1.16 s/mol.\n",
            "Processing CHEMBL131051 in molecule.smi (10/4695). Average speed: 1.30 s/mol.\n",
            "Processing CHEMBL335033 in molecule.smi (12/4695). Average speed: 1.09 s/mol.\n",
            "Processing CHEMBL122983 in molecule.smi (13/4695). Average speed: 1.01 s/mol.\n",
            "Processing CHEMBL338720 in molecule.smi (14/4695). Average speed: 0.97 s/mol.\n",
            "Processing CHEMBL339995 in molecule.smi (15/4695). Average speed: 0.91 s/mol.\n",
            "Processing CHEMBL335158 in molecule.smi (16/4695). Average speed: 0.93 s/mol.\n",
            "Processing CHEMBL131536 in molecule.smi (17/4695). Average speed: 0.82 s/mol.\n",
            "Processing CHEMBL106126 in molecule.smi (18/4695). Average speed: 0.84 s/mol.\n",
            "Processing CHEMBL336625 in molecule.smi (20/4695). Average speed: 0.76 s/mol.\n",
            "Processing CHEMBL334971 in molecule.smi (19/4695). Average speed: 0.76 s/mol.\n",
            "Processing CHEMBL130666 in molecule.smi (21/4695). Average speed: 0.71 s/mol.\n",
            "Processing CHEMBL134061 in molecule.smi (22/4695). Average speed: 0.68 s/mol.\n",
            "Processing CHEMBL133388 in molecule.smi (23/4695). Average speed: 0.66 s/mol.\n",
            "Processing CHEMBL130645 in molecule.smi (24/4695). Average speed: 0.64 s/mol.\n",
            "Processing CHEMBL336524 in molecule.smi (26/4695). Average speed: 0.60 s/mol.\n",
            "Processing CHEMBL133580 in molecule.smi (25/4695). Average speed: 0.61 s/mol.\n",
            "Processing CHEMBL336276 in molecule.smi (27/4695). Average speed: 0.61 s/mol.\n",
            "Processing CHEMBL131320 in molecule.smi (29/4695). Average speed: 0.56 s/mol.\n",
            "Processing CHEMBL334395 in molecule.smi (28/4695). Average speed: 0.57 s/mol.\n",
            "Processing CHEMBL339297 in molecule.smi (30/4695). Average speed: 0.54 s/mol.\n",
            "Processing CHEMBL337714 in molecule.smi (31/4695). Average speed: 0.53 s/mol.\n",
            "Processing CHEMBL122575 in molecule.smi (32/4695). Average speed: 0.52 s/mol.\n",
            "Processing CHEMBL130704 in molecule.smi (33/4695). Average speed: 0.51 s/mol.\n",
            "Processing CHEMBL46151 in molecule.smi (34/4695). Average speed: 0.50 s/mol.\n",
            "Processing CHEMBL54126 in molecule.smi (35/4695). Average speed: 0.50 s/mol.\n",
            "Processing CHEMBL297316 in molecule.smi (36/4695). Average speed: 0.50 s/mol.\n",
            "Processing CHEMBL65667 in molecule.smi (37/4695). Average speed: 0.47 s/mol.\n",
            "Processing CHEMBL431519 in molecule.smi (38/4695). Average speed: 0.46 s/mol.\n",
            "Processing CHEMBL296429 in molecule.smi (39/4695). Average speed: 0.47 s/mol.\n",
            "Processing CHEMBL154972 in molecule.smi (40/4695). Average speed: 0.47 s/mol.\n",
            "Processing CHEMBL152722 in molecule.smi (41/4695). Average speed: 0.46 s/mol.\n",
            "Processing CHEMBL544022 in molecule.smi (42/4695). Average speed: 0.46 s/mol.\n",
            "Processing CHEMBL349127 in molecule.smi (43/4695). Average speed: 0.45 s/mol.\n",
            "Processing CHEMBL45118 in molecule.smi (45/4695). Average speed: 0.45 s/mol.\n",
            "Processing CHEMBL156659 in molecule.smi (44/4695). Average speed: 0.45 s/mol.\n",
            "Processing CHEMBL542609 in molecule.smi (46/4695). Average speed: 0.44 s/mol.\n",
            "Processing CHEMBL155322 in molecule.smi (47/4695). Average speed: 0.44 s/mol.\n",
            "Processing CHEMBL154211 in molecule.smi (48/4695). Average speed: 0.44 s/mol.\n",
            "Processing CHEMBL1203537 in molecule.smi (49/4695). Average speed: 0.43 s/mol.\n",
            "Processing CHEMBL86 in molecule.smi (50/4695). Average speed: 0.43 s/mol.\n",
            "Processing CHEMBL47375 in molecule.smi (51/4695). Average speed: 0.42 s/mol.\n",
            "Processing CHEMBL542360 in molecule.smi (52/4695). Average speed: 0.42 s/mol.\n",
            "Processing CHEMBL345849 in molecule.smi (53/4695). Average speed: 0.41 s/mol.\n",
            "Processing CHEMBL154689 in molecule.smi (54/4695). Average speed: 0.41 s/mol.\n",
            "Processing CHEMBL346733 in molecule.smi (55/4695). Average speed: 0.40 s/mol.\n",
            "Processing CHEMBL416464 in molecule.smi (56/4695). Average speed: 0.40 s/mol.\n",
            "Processing CHEMBL347729 in molecule.smi (58/4695). Average speed: 0.40 s/mol.\n",
            "Processing CHEMBL1203539 in molecule.smi (57/4695). Average speed: 0.39 s/mol.\n",
            "Processing CHEMBL296786 in molecule.smi (59/4695). Average speed: 0.39 s/mol.\n",
            "Processing CHEMBL63173 in molecule.smi (60/4695). Average speed: 0.38 s/mol.\n",
            "Processing CHEMBL433041 in molecule.smi (61/4695). Average speed: 0.38 s/mol.\n",
            "Processing CHEMBL33051 in molecule.smi (63/4695). Average speed: 0.37 s/mol.\n",
            "Processing CHEMBL292788 in molecule.smi (62/4695). Average speed: 0.37 s/mol.\n",
            "Processing CHEMBL155392 in molecule.smi (64/4695). Average speed: 0.37 s/mol.\n",
            "Processing CHEMBL153311 in molecule.smi (65/4695). Average speed: 0.36 s/mol.\n",
            "Processing CHEMBL543546 in molecule.smi (66/4695). Average speed: 0.36 s/mol.\n",
            "Processing CHEMBL1420 in molecule.smi (67/4695). Average speed: 0.36 s/mol.\n",
            "Processing CHEMBL556172 in molecule.smi (68/4695). Average speed: 0.35 s/mol.\n",
            "Processing CHEMBL544669 in molecule.smi (70/4695). Average speed: 0.34 s/mol.\n",
            "Processing CHEMBL154263 in molecule.smi (69/4695). Average speed: 0.35 s/mol.\n",
            "Processing CHEMBL155111 in molecule.smi (72/4695). Average speed: 0.34 s/mol.\n",
            "Processing CHEMBL62664 in molecule.smi (71/4695). Average speed: 0.34 s/mol.\n",
            "Processing CHEMBL1203534 in molecule.smi (73/4695). Average speed: 0.33 s/mol.\n",
            "Processing CHEMBL541044 in molecule.smi (74/4695). Average speed: 0.33 s/mol.\n",
            "Processing CHEMBL155495 in molecule.smi (76/4695). Average speed: 0.33 s/mol.\n",
            "Processing CHEMBL543779 in molecule.smi (75/4695). Average speed: 0.33 s/mol.\n",
            "Processing CHEMBL64011 in molecule.smi (77/4695). Average speed: 0.32 s/mol.\n",
            "Processing CHEMBL347539 in molecule.smi (79/4695). Average speed: 0.32 s/mol.\n",
            "Processing CHEMBL65585 in molecule.smi (78/4695). Average speed: 0.32 s/mol.\n",
            "Processing CHEMBL154433 in molecule.smi (80/4695). Average speed: 0.32 s/mol.\n",
            "Processing CHEMBL157208 in molecule.smi (81/4695). Average speed: 0.32 s/mol.\n",
            "Processing CHEMBL65356 in molecule.smi (83/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL1790041 in molecule.smi (82/4695). Average speed: 0.32 s/mol.\n",
            "Processing CHEMBL154366 in molecule.smi (84/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL153821 in molecule.smi (85/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL416644 in molecule.smi (86/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL94 in molecule.smi (87/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL65018 in molecule.smi (89/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL303574 in molecule.smi (88/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL296277 in molecule.smi (90/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL66309 in molecule.smi (91/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1203535 in molecule.smi (92/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL296560 in molecule.smi (93/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL154950 in molecule.smi (95/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL152260 in molecule.smi (94/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL296669 in molecule.smi (96/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1203538 in molecule.smi (97/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL19060 in molecule.smi (98/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL422977 in molecule.smi (99/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL11805 in molecule.smi (100/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL302179 in molecule.smi (101/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL27673 in molecule.smi (102/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL132377 in molecule.smi (103/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL132133 in molecule.smi (104/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL95 in molecule.smi (105/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL134488 in molecule.smi (106/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL59109 in molecule.smi (108/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL134382 in molecule.smi (107/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL286990 in molecule.smi (109/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL294891 in molecule.smi (110/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1255901 in molecule.smi (111/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL89011 in molecule.smi (112/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL748 in molecule.smi (113/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL50608 in molecule.smi (114/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL29300 in molecule.smi (115/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL27675 in molecule.smi (116/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL435373 in molecule.smi (117/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL60167 in molecule.smi (118/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL89012 in molecule.smi (119/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL314800 in molecule.smi (120/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL553212 in molecule.smi (121/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL315013 in molecule.smi (123/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL156630 in molecule.smi (122/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL155754 in molecule.smi (124/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL314658 in molecule.smi (125/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87170 in molecule.smi (126/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87959 in molecule.smi (127/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87295 in molecule.smi (128/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL82810 in molecule.smi (129/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL157182 in molecule.smi (130/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL88049 in molecule.smi (131/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL87128 in molecule.smi (132/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL160219 in molecule.smi (133/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL445916 in molecule.smi (134/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL85473 in molecule.smi (135/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL314502 in molecule.smi (136/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87280 in molecule.smi (138/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87320 in molecule.smi (137/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL348607 in molecule.smi (139/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL313809 in molecule.smi (140/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87849 in molecule.smi (141/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL314398 in molecule.smi (142/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87373 in molecule.smi (143/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL156931 in molecule.smi (144/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL83005 in molecule.smi (145/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL315515 in molecule.smi (146/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87937 in molecule.smi (148/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL441632 in molecule.smi (147/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87649 in molecule.smi (150/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL441808 in molecule.smi (149/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL160836 in molecule.smi (151/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL314766 in molecule.smi (153/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL156861 in molecule.smi (152/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL86233 in molecule.smi (155/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL88026 in molecule.smi (154/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL155350 in molecule.smi (156/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87980 in molecule.smi (158/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL155863 in molecule.smi (157/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL158946 in molecule.smi (160/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL87441 in molecule.smi (159/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL609440 in molecule.smi (162/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL87550 in molecule.smi (161/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL313271 in molecule.smi (164/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL350464 in molecule.smi (163/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL423313 in molecule.smi (165/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL309667 in molecule.smi (166/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL419470 in molecule.smi (167/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL431844 in molecule.smi (169/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL80221 in molecule.smi (168/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL418917 in molecule.smi (171/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL80247 in molecule.smi (170/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL77896 in molecule.smi (172/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL369661 in molecule.smi (173/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL502 in molecule.smi (174/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL74089 in molecule.smi (175/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL134057 in molecule.smi (176/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL76640 in molecule.smi (177/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL76241 in molecule.smi (178/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL431784 in molecule.smi (179/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL51934 in molecule.smi (180/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL352500 in molecule.smi (181/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL292314 in molecule.smi (182/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL355740 in molecule.smi (183/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL75919 in molecule.smi (185/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL54727 in molecule.smi (184/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL309351 in molecule.smi (186/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL75743 in molecule.smi (187/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL76135 in molecule.smi (188/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL440497 in molecule.smi (189/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL368196 in molecule.smi (190/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL62084 in molecule.smi (191/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL172118 in molecule.smi (192/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1202875 in molecule.smi (193/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL436367 in molecule.smi (194/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3215535 in molecule.smi (196/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL132365 in molecule.smi (195/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1202865 in molecule.smi (197/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL133520 in molecule.smi (198/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL130373 in molecule.smi (199/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1202884 in molecule.smi (200/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL263198 in molecule.smi (201/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL133906 in molecule.smi (202/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1204162 in molecule.smi (203/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL134240 in molecule.smi (204/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL132030 in molecule.smi (205/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL130880 in molecule.smi (207/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL133448 in molecule.smi (206/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL133441 in molecule.smi (209/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1202874 in molecule.smi (208/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL130427 in molecule.smi (210/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL134154 in molecule.smi (211/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL132260 in molecule.smi (212/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1204299 in molecule.smi (213/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1204296 in molecule.smi (214/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1202885 in molecule.smi (215/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL337453 in molecule.smi (216/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL335922 in molecule.smi (217/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL132619 in molecule.smi (218/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL293316 in molecule.smi (219/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL442361 in molecule.smi (221/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL61515 in molecule.smi (220/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL58034 in molecule.smi (222/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL61965 in molecule.smi (223/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL59790 in molecule.smi (224/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL62210 in molecule.smi (225/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL57003 in molecule.smi (226/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL294498 in molecule.smi (228/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL291783 in molecule.smi (227/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL300170 in molecule.smi (229/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL61312 in molecule.smi (230/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL293268 in molecule.smi (231/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL59192 in molecule.smi (233/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL293751 in molecule.smi (232/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL61905 in molecule.smi (235/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL659 in molecule.smi (476/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL110077 in molecule.smi (712/4695). Average speed: 0.22 s/mol.\n",
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            "Processing CHEMBL188325 in molecule.smi (956/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187812 in molecule.smi (957/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191729 in molecule.smi (958/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL610243 in molecule.smi (960/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL364125 in molecule.smi (959/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL364585 in molecule.smi (962/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL372491 in molecule.smi (961/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL188338 in molecule.smi (964/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL188917 in molecule.smi (963/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL188753 in molecule.smi (966/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL366114 in molecule.smi (965/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189517 in molecule.smi (968/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189122 in molecule.smi (967/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL186264 in molecule.smi (970/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL365904 in molecule.smi (969/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL188011 in molecule.smi (972/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187818 in molecule.smi (971/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL362752 in molecule.smi (973/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL610242 in molecule.smi (974/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL362350 in molecule.smi (975/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL359570 in molecule.smi (976/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187603 in molecule.smi (977/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL360832 in molecule.smi (978/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL186090 in molecule.smi (979/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187591 in molecule.smi (980/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187330 in molecule.smi (982/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL188714 in molecule.smi (981/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL186042 in molecule.smi (984/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189774 in molecule.smi (983/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL188274 in molecule.smi (986/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL363455 in molecule.smi (985/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189907 in molecule.smi (988/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189906 in molecule.smi (987/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL371787 in molecule.smi (990/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL190322 in molecule.smi (989/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187870 in molecule.smi (991/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL363557 in molecule.smi (993/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL187385 in molecule.smi (992/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191416 in molecule.smi (995/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189957 in molecule.smi (994/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191386 in molecule.smi (997/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL190060 in molecule.smi (996/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL190528 in molecule.smi (998/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL364545 in molecule.smi (999/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL365678 in molecule.smi (1000/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191314 in molecule.smi (1001/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL372710 in molecule.smi (1003/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL370961 in molecule.smi (1002/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191461 in molecule.smi (1005/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL364678 in molecule.smi (1004/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL365136 in molecule.smi (1007/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL363588 in molecule.smi (1006/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL189797 in molecule.smi (1009/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL371798 in molecule.smi (1008/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL372071 in molecule.smi (1010/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL372279 in molecule.smi (1012/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL192953 in molecule.smi (1011/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191930 in molecule.smi (1014/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191315 in molecule.smi (1013/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL434948 in molecule.smi (1015/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL372262 in molecule.smi (1017/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL190152 in molecule.smi (1016/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191084 in molecule.smi (1018/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL195418 in molecule.smi (1020/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL32823 in molecule.smi (1019/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL192682 in molecule.smi (1022/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL195241 in molecule.smi (1021/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL195179 in molecule.smi (1023/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL424833 in molecule.smi (1024/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL425739 in molecule.smi (1025/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL278963 in molecule.smi (1026/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL195067 in molecule.smi (1027/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL194823 in molecule.smi (1028/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL363391 in molecule.smi (1029/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL134342 in molecule.smi (1031/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL191758 in molecule.smi (1030/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL555666 in molecule.smi (1032/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL557155 in molecule.smi (1033/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL534932 in molecule.smi (1034/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL2113368 in molecule.smi (1035/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL555214 in molecule.smi (1036/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL538573 in molecule.smi (1037/4695). Average speed: 0.22 s/mol.\n",
            "Processing CHEMBL539599 in molecule.smi (1038/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL2113367 in molecule.smi (1039/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL536047 in molecule.smi (1040/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL371276 in molecule.smi (1041/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL196401 in molecule.smi (1042/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL196116 in molecule.smi (1043/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL371006 in molecule.smi (1044/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL196177 in molecule.smi (1045/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL196699 in molecule.smi (1046/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL371651 in molecule.smi (1047/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL1385 in molecule.smi (1049/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL370561 in molecule.smi (1048/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL197696 in molecule.smi (1051/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL194372 in molecule.smi (1050/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL370807 in molecule.smi (1053/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL199670 in molecule.smi (1052/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL382260 in molecule.smi (1055/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL372202 in molecule.smi (1054/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL202661 in molecule.smi (1057/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL199585 in molecule.smi (1056/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL204895 in molecule.smi (1059/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL381499 in molecule.smi (1058/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL382207 in molecule.smi (1060/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205895 in molecule.smi (1062/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205335 in molecule.smi (1061/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205940 in molecule.smi (1064/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL381926 in molecule.smi (1063/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205231 in molecule.smi (1065/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL381782 in molecule.smi (1066/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205340 in molecule.smi (1067/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205321 in molecule.smi (1069/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL382351 in molecule.smi (1068/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL207777 in molecule.smi (1070/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL378404 in molecule.smi (1071/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL205967 in molecule.smi (1072/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL380830 in molecule.smi (1073/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL206237 in molecule.smi (1074/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL206093 in molecule.smi (1075/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL426674 in molecule.smi (1076/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL377283 in molecule.smi (1077/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL494887 in molecule.smi (1078/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL464538 in molecule.smi (1079/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL383242 in molecule.smi (1080/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL19224 in molecule.smi (1081/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL207931 in molecule.smi (1082/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL208132 in molecule.smi (1083/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211383 in molecule.smi (1084/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211500 in molecule.smi (1085/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211450 in molecule.smi (1086/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212526 in molecule.smi (1087/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL378763 in molecule.smi (1088/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL378762 in molecule.smi (1089/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL379950 in molecule.smi (1090/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212374 in molecule.smi (1091/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL213281 in molecule.smi (1092/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL379065 in molecule.smi (1093/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212001 in molecule.smi (1094/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212220 in molecule.smi (1095/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL439508 in molecule.smi (1096/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL213861 in molecule.smi (1097/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212105 in molecule.smi (1099/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL377041 in molecule.smi (1098/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL213240 in molecule.smi (1100/4695). Average speed: 0.23 s/mol.\n",
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            "Processing CHEMBL213404 in molecule.smi (1102/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL377618 in molecule.smi (1103/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212377 in molecule.smi (1104/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL379935 in molecule.smi (1105/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL213964 in molecule.smi (1106/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL379563 in molecule.smi (1107/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL214160 in molecule.smi (1108/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL213944 in molecule.smi (1109/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212771 in molecule.smi (1110/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211652 in molecule.smi (1111/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211596 in molecule.smi (1112/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211943 in molecule.smi (1113/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211897 in molecule.smi (1114/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL208888 in molecule.smi (1115/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212572 in molecule.smi (1117/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL377431 in molecule.smi (1116/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL376425 in molecule.smi (1118/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL377037 in molecule.smi (1119/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL378050 in molecule.smi (1120/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212065 in molecule.smi (1121/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL209493 in molecule.smi (1122/4695). Average speed: 0.23 s/mol.\n",
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            "Processing CHEMBL211471 in molecule.smi (1124/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL209392 in molecule.smi (1125/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL209924 in molecule.smi (1126/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212162 in molecule.smi (1127/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL212111 in molecule.smi (1128/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL209863 in molecule.smi (1129/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL427232 in molecule.smi (1130/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL211520 in molecule.smi (1131/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL384563 in molecule.smi (1133/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL380050 in molecule.smi (1132/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL386541 in molecule.smi (1135/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL415799 in molecule.smi (1134/4695). Average speed: 0.23 s/mol.\n",
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            "Processing CHEMBL219262 in molecule.smi (1136/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL384886 in molecule.smi (1139/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219316 in molecule.smi (1138/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL220141 in molecule.smi (1140/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL445846 in molecule.smi (1141/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219911 in molecule.smi (1142/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL374981 in molecule.smi (1143/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL216159 in molecule.smi (1144/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219569 in molecule.smi (1145/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL434378 in molecule.smi (1146/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219550 in molecule.smi (1147/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL266045 in molecule.smi (1149/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219063 in molecule.smi (1148/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL385269 in molecule.smi (1150/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL374184 in molecule.smi (1151/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL218940 in molecule.smi (1152/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL436302 in molecule.smi (1153/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219406 in molecule.smi (1154/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL220294 in molecule.smi (1156/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219405 in molecule.smi (1155/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219172 in molecule.smi (1158/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL219400 in molecule.smi (1157/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL266084 in molecule.smi (1160/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL218939 in molecule.smi (1159/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL221811 in molecule.smi (1161/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL80619 in molecule.smi (1162/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL221794 in molecule.smi (1163/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL278193 in molecule.smi (1164/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL376011 in molecule.smi (1165/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL373674 in molecule.smi (1166/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL376012 in molecule.smi (1167/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL220849 in molecule.smi (1168/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL220959 in molecule.smi (1169/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL441868 in molecule.smi (1170/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL375862 in molecule.smi (1171/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL373651 in molecule.smi (1172/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL220905 in molecule.smi (1173/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL374729 in molecule.smi (1174/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL385778 in molecule.smi (1175/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL376434 in molecule.smi (1176/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL375077 in molecule.smi (1177/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL71851 in molecule.smi (1178/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL500996 in molecule.smi (1179/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL611732 in molecule.smi (1180/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222037 in molecule.smi (1181/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222044 in molecule.smi (1182/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222043 in molecule.smi (1183/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL221992 in molecule.smi (1184/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222875 in molecule.smi (1186/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL19949 in molecule.smi (1185/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222340 in molecule.smi (1188/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222818 in molecule.smi (1187/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222378 in molecule.smi (1189/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL387394 in molecule.smi (1190/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222904 in molecule.smi (1192/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222946 in molecule.smi (1191/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL222856 in molecule.smi (1194/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL385130 in molecule.smi (1193/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225198 in molecule.smi (1196/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225567 in molecule.smi (1195/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225326 in molecule.smi (1198/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL223443 in molecule.smi (1197/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225610 in molecule.smi (1200/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225021 in molecule.smi (1199/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL387849 in molecule.smi (1202/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL224553 in molecule.smi (1201/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL389668 in molecule.smi (1204/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225615 in molecule.smi (1203/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL224811 in molecule.smi (1205/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225638 in molecule.smi (1206/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL223652 in molecule.smi (1207/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL375976 in molecule.smi (1208/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225396 in molecule.smi (1210/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225453 in molecule.smi (1209/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL225451 in molecule.smi (1211/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL376186 in molecule.smi (1212/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL390083 in molecule.smi (1213/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL224981 in molecule.smi (1214/4695). Average speed: 0.23 s/mol.\n",
            "Processing CHEMBL224555 in molecule.smi (1216/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL225366 in molecule.smi (1215/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL390598 in molecule.smi (1218/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL224347 in molecule.smi (1217/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL427090 in molecule.smi (1219/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL224469 in molecule.smi (1220/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL224433 in molecule.smi (1221/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL390737 in molecule.smi (1222/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL427249 in molecule.smi (1223/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL225611 in molecule.smi (1224/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL376327 in molecule.smi (1225/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL229334 in molecule.smi (1226/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL396199 in molecule.smi (1227/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241830 in molecule.smi (1228/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241828 in molecule.smi (1229/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241827 in molecule.smi (1230/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL245055 in molecule.smi (1231/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL388714 in molecule.smi (1232/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL245054 in molecule.smi (1233/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244838 in molecule.smi (1234/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244619 in molecule.smi (1236/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244624 in molecule.smi (1235/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244416 in molecule.smi (1238/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL396247 in molecule.smi (1237/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL245047 in molecule.smi (1240/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244415 in molecule.smi (1239/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL389825 in molecule.smi (1241/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL245046 in molecule.smi (1242/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL427865 in molecule.smi (1243/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243130 in molecule.smi (1244/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242906 in molecule.smi (1245/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242905 in molecule.smi (1246/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL265416 in molecule.smi (1247/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243532 in molecule.smi (1248/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL413793 in molecule.smi (1250/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL413794 in molecule.smi (1249/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243311 in molecule.smi (1251/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243310 in molecule.smi (1252/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244837 in molecule.smi (1253/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL557586 in molecule.smi (1254/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241960 in molecule.smi (1255/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241974 in molecule.smi (1256/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL244762 in molecule.smi (1257/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL390247 in molecule.smi (1258/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL276444 in molecule.smi (1259/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL395815 in molecule.smi (1260/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243057 in molecule.smi (1261/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243274 in molecule.smi (1262/4695). Average speed: 0.24 s/mol.\n",
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            "Processing CHEMBL218443 in molecule.smi (1265/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242661 in molecule.smi (1264/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242836 in molecule.smi (1266/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242191 in molecule.smi (1267/4695). Average speed: 0.24 s/mol.\n",
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            "Processing CHEMBL242190 in molecule.smi (1269/4695). Average speed: 0.24 s/mol.\n",
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            "Processing CHEMBL394348 in molecule.smi (1270/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243272 in molecule.smi (1273/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL230702 in molecule.smi (1272/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243270 in molecule.smi (1275/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243271 in molecule.smi (1274/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL396050 in molecule.smi (1277/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL230434 in molecule.smi (1276/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243269 in molecule.smi (1278/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243062 in molecule.smi (1279/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243056 in molecule.smi (1280/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL243055 in molecule.smi (1281/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242989 in molecule.smi (1282/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL332051 in molecule.smi (1284/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL242345 in molecule.smi (1283/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL392324 in molecule.smi (1285/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL115835 in molecule.smi (1286/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL325502 in molecule.smi (1287/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL397891 in molecule.smi (1288/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL415675 in molecule.smi (1289/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241011 in molecule.smi (1290/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL240793 in molecule.smi (1291/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL240792 in molecule.smi (1292/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL398406 in molecule.smi (1293/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL235548 in molecule.smi (1294/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238063 in molecule.smi (1295/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238062 in molecule.smi (1296/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL237870 in molecule.smi (1297/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL393212 in molecule.smi (1299/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL396190 in molecule.smi (1298/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL391918 in molecule.smi (1301/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241536 in molecule.smi (1300/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL238994 in molecule.smi (1303/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL393621 in molecule.smi (1302/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL238785 in molecule.smi (1304/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL238572 in molecule.smi (1306/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL238573 in molecule.smi (1305/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241762 in molecule.smi (1308/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL238571 in molecule.smi (1307/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241761 in molecule.smi (1309/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL392385 in molecule.smi (1310/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241760 in molecule.smi (1311/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241554 in molecule.smi (1312/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241553 in molecule.smi (1313/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241552 in molecule.smi (1314/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL393758 in molecule.smi (1315/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL239633 in molecule.smi (1316/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL241548 in molecule.smi (1317/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL237189 in molecule.smi (1319/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL397168 in molecule.smi (1318/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL392099 in molecule.smi (1321/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL392100 in molecule.smi (1320/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL393149 in molecule.smi (1323/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238293 in molecule.smi (1322/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL438324 in molecule.smi (1325/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL235761 in molecule.smi (1324/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238257 in molecule.smi (1327/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL235759 in molecule.smi (1326/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238085 in molecule.smi (1329/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238256 in molecule.smi (1328/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL235751 in molecule.smi (1330/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238067 in molecule.smi (1331/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL391356 in molecule.smi (1332/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL238764 in molecule.smi (1333/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL236173 in molecule.smi (1334/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL397160 in molecule.smi (1336/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL239418 in molecule.smi (1335/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL239207 in molecule.smi (1337/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL241127 in molecule.smi (1338/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL1203985 in molecule.smi (1339/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL360055 in molecule.smi (1340/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL555247 in molecule.smi (1341/4695). Average speed: 0.24 s/mol.\n",
            "Processing CHEMBL1203984 in molecule.smi (1342/4695). Average speed: 0.24 s/mol.\n",
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            "Processing CHEMBL540132 in molecule.smi (1343/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL540131 in molecule.smi (1345/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL440983 in molecule.smi (1347/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL251077 in molecule.smi (1349/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL402484 in molecule.smi (1350/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL1524 in molecule.smi (1351/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL409610 in molecule.smi (1353/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL251076 in molecule.smi (1352/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL400092 in molecule.smi (1355/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL401114 in molecule.smi (1354/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL252723 in molecule.smi (1357/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL250688 in molecule.smi (1356/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL1523 in molecule.smi (1358/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL41 in molecule.smi (1361/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL257540 in molecule.smi (1365/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL109018 in molecule.smi (1364/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL254016 in molecule.smi (1367/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL403260 in molecule.smi (1366/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL32329 in molecule.smi (1369/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL270248 in molecule.smi (1371/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL590603 in molecule.smi (1370/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL271710 in molecule.smi (1372/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL271709 in molecule.smi (1373/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL26125 in molecule.smi (1374/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL239046 in molecule.smi (1377/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL272700 in molecule.smi (1378/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL269865 in molecule.smi (1379/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL271385 in molecule.smi (1380/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL271746 in molecule.smi (1381/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL270349 in molecule.smi (1382/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL260964 in molecule.smi (1383/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL273051 in molecule.smi (1384/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL260308 in molecule.smi (1385/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL407320 in molecule.smi (1386/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL277984 in molecule.smi (1387/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL261384 in molecule.smi (1388/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL270491 in molecule.smi (1389/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL272229 in molecule.smi (1390/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL272230 in molecule.smi (1391/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL273078 in molecule.smi (1392/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL269863 in molecule.smi (1393/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL1190 in molecule.smi (1395/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL129542 in molecule.smi (1394/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL259264 in molecule.smi (1396/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL259482 in molecule.smi (1397/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL129306 in molecule.smi (1398/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL259523 in molecule.smi (1399/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL406645 in molecule.smi (1400/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL481657 in molecule.smi (1402/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL497276 in molecule.smi (1401/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL416 in molecule.smi (1404/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL442813 in molecule.smi (1403/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL51628 in molecule.smi (1406/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL502689 in molecule.smi (1405/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL448060 in molecule.smi (1407/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL303846 in molecule.smi (1408/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL513279 in molecule.smi (1409/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL481658 in molecule.smi (1410/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL461949 in molecule.smi (1411/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL459825 in molecule.smi (1412/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL459826 in molecule.smi (1413/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL496487 in molecule.smi (1414/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL504924 in molecule.smi (1415/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL496259 in molecule.smi (1416/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL496255 in molecule.smi (1417/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL498645 in molecule.smi (1418/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL496488 in molecule.smi (1419/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL1678 in molecule.smi (1420/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL486698 in molecule.smi (1421/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL3217103 in molecule.smi (1422/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL3216209 in molecule.smi (1424/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL3216210 in molecule.smi (1423/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL3216655 in molecule.smi (1426/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL3216208 in molecule.smi (1425/4695). Average speed: 0.25 s/mol.\n",
            "Processing CHEMBL3216886 in molecule.smi (1428/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL518500 in molecule.smi (1439/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL449941 in molecule.smi (1450/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL499722 in molecule.smi (1455/4695). Average speed: 0.25 s/mol.\n",
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            "Processing CHEMBL3215574 in molecule.smi (1505/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL555300 in molecule.smi (1515/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL812 in molecule.smi (1612/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL225688 in molecule.smi (1617/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL225689 in molecule.smi (1619/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1081810 in molecule.smi (1628/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082081 in molecule.smi (1629/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082082 in molecule.smi (1630/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1080631 in molecule.smi (1632/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1076243 in molecule.smi (1631/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1080814 in molecule.smi (1634/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1080813 in molecule.smi (1633/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1076260 in molecule.smi (1636/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1080274 in molecule.smi (1637/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1087194 in molecule.smi (1638/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083973 in molecule.smi (1639/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084250 in molecule.smi (1640/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084519 in molecule.smi (1641/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084518 in molecule.smi (1642/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084517 in molecule.smi (1643/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083972 in molecule.smi (1644/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1086184 in molecule.smi (1645/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084784 in molecule.smi (1646/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085759 in molecule.smi (1647/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085758 in molecule.smi (1648/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084785 in molecule.smi (1649/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085026 in molecule.smi (1650/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084167 in molecule.smi (1652/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085027 in molecule.smi (1651/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085028 in molecule.smi (1654/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082427 in molecule.smi (1653/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085029 in molecule.smi (1655/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085284 in molecule.smi (1656/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085022 in molecule.smi (1657/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084442 in molecule.smi (1658/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082746 in molecule.smi (1660/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082428 in molecule.smi (1659/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082748 in molecule.smi (1662/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1083063 in molecule.smi (1666/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082750 in molecule.smi (1665/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083064 in molecule.smi (1667/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083373 in molecule.smi (1668/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084709 in molecule.smi (1669/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085280 in molecule.smi (1670/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085281 in molecule.smi (1671/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL75110 in molecule.smi (1672/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL311017 in molecule.smi (1673/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL308793 in molecule.smi (1674/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74560 in molecule.smi (1675/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74922 in molecule.smi (1676/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL73339 in molecule.smi (1677/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL306776 in molecule.smi (1679/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085858 in molecule.smi (1678/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL73447 in molecule.smi (1680/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL73974 in molecule.smi (1682/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL76108 in molecule.smi (1681/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL308807 in molecule.smi (1683/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74832 in molecule.smi (1684/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL306175 in molecule.smi (1685/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74809 in molecule.smi (1686/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL75649 in molecule.smi (1687/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL306179 in molecule.smi (1688/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL310918 in molecule.smi (1689/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74359 in molecule.smi (1690/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL307693 in molecule.smi (1691/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083661 in molecule.smi (1692/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL73593 in molecule.smi (1694/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083662 in molecule.smi (1695/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL76470 in molecule.smi (1696/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084254 in molecule.smi (1697/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL75157 in molecule.smi (1698/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL310467 in molecule.smi (1700/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL307513 in molecule.smi (1701/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74962 in molecule.smi (1702/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL309173 in molecule.smi (1703/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL72967 in molecule.smi (1704/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74533 in molecule.smi (1705/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL75127 in molecule.smi (1706/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL308093 in molecule.smi (1707/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL76384 in molecule.smi (1708/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL420378 in molecule.smi (1709/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74340 in molecule.smi (1710/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL307832 in molecule.smi (1711/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL74698 in molecule.smi (1712/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084703 in molecule.smi (1713/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085285 in molecule.smi (1714/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083065 in molecule.smi (1715/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1083375 in molecule.smi (1718/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085125 in molecule.smi (1719/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1084635 in molecule.smi (1722/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084880 in molecule.smi (1723/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085128 in molecule.smi (1724/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085383 in molecule.smi (1726/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1084881 in molecule.smi (1727/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1085384 in molecule.smi (1730/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1085629 in molecule.smi (1733/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085630 in molecule.smi (1734/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085011 in molecule.smi (1735/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL56470 in molecule.smi (1737/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL55014 in molecule.smi (1736/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL55312 in molecule.smi (1738/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140737 in molecule.smi (1740/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141873 in molecule.smi (1739/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL126354 in molecule.smi (1741/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL340621 in molecule.smi (1742/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140769 in molecule.smi (1743/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL340672 in molecule.smi (1744/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141853 in molecule.smi (1745/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL127527 in molecule.smi (1746/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141801 in molecule.smi (1747/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141167 in molecule.smi (1748/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140936 in molecule.smi (1750/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL340609 in molecule.smi (1749/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141352 in molecule.smi (1751/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL125578 in molecule.smi (1752/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL333909 in molecule.smi (1753/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL106891 in molecule.smi (1754/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL419184 in molecule.smi (1755/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL105874 in molecule.smi (1757/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL140948 in molecule.smi (1760/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL123909 in molecule.smi (1759/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL139353 in molecule.smi (1761/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL433678 in molecule.smi (1762/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL138107 in molecule.smi (1763/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140770 in molecule.smi (1764/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084256 in molecule.smi (1765/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140999 in molecule.smi (1766/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141001 in molecule.smi (1767/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL138442 in molecule.smi (1768/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141622 in molecule.smi (1769/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140106 in molecule.smi (1770/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141203 in molecule.smi (1771/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL142014 in molecule.smi (1772/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140990 in molecule.smi (1773/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL142013 in molecule.smi (1774/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141042 in molecule.smi (1775/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL140328 in molecule.smi (1776/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141810 in molecule.smi (1777/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL342413 in molecule.smi (1778/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141276 in molecule.smi (1779/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL138552 in molecule.smi (1780/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL141515 in molecule.smi (1781/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083069 in molecule.smi (1782/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL129753 in molecule.smi (1783/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083070 in molecule.smi (1784/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083379 in molecule.smi (1786/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL337999 in molecule.smi (1785/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128863 in molecule.smi (1787/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL336297 in molecule.smi (1788/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL130847 in molecule.smi (1789/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128260 in molecule.smi (1790/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL131827 in molecule.smi (1791/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL130918 in molecule.smi (1792/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL340625 in molecule.smi (1794/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084090 in molecule.smi (1793/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128551 in molecule.smi (1795/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128618 in molecule.smi (1797/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084883 in molecule.smi (1796/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085129 in molecule.smi (1799/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084091 in molecule.smi (1798/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128043 in molecule.smi (1801/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128471 in molecule.smi (1800/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128202 in molecule.smi (1803/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084366 in molecule.smi (1802/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL339039 in molecule.smi (1804/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082419 in molecule.smi (1805/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL128452 in molecule.smi (1807/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL131219 in molecule.smi (1806/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL131579 in molecule.smi (1809/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083976 in molecule.smi (1808/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL131411 in molecule.smi (1810/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083977 in molecule.smi (1811/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL151417 in molecule.smi (1812/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL278819 in molecule.smi (1814/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL281588 in molecule.smi (1813/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL150985 in molecule.smi (1816/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085019 in molecule.smi (1815/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085021 in molecule.smi (1818/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085020 in molecule.smi (1817/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL150365 in molecule.smi (1820/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083676 in molecule.smi (1819/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082741 in molecule.smi (1822/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1085937 in molecule.smi (1824/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL356224 in molecule.smi (1823/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085274 in molecule.smi (1825/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084255 in molecule.smi (1827/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085275 in molecule.smi (1826/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083054 in molecule.smi (1829/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL25264 in molecule.smi (1828/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083055 in molecule.smi (1831/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1086185 in molecule.smi (1830/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083057 in molecule.smi (1833/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084257 in molecule.smi (1832/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083367 in molecule.smi (1835/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083058 in molecule.smi (1834/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084542 in molecule.smi (1837/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL25412 in molecule.smi (1836/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084543 in molecule.smi (1838/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084787 in molecule.smi (1840/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084786 in molecule.smi (1839/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084788 in molecule.smi (1841/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084789 in molecule.smi (1842/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082434 in molecule.smi (1844/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082433 in molecule.smi (1843/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084275 in molecule.smi (1846/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082435 in molecule.smi (1845/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082436 in molecule.smi (1848/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084790 in molecule.smi (1847/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL100334 in molecule.smi (1849/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL431058 in molecule.smi (1851/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL102142 in molecule.smi (1850/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL430679 in molecule.smi (1853/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL101518 in molecule.smi (1852/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL101809 in molecule.smi (1855/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL101940 in molecule.smi (1854/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085030 in molecule.smi (1857/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL100510 in molecule.smi (1856/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085031 in molecule.smi (1858/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL101155 in molecule.smi (1859/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL317541 in molecule.smi (1860/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL101988 in molecule.smi (1861/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL329518 in molecule.smi (1863/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL420827 in molecule.smi (1862/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085032 in molecule.smi (1865/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL101028 in molecule.smi (1864/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL99605 in molecule.smi (1866/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL329733 in molecule.smi (1867/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL98497 in molecule.smi (1868/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083789 in molecule.smi (1869/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL258928 in molecule.smi (1870/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083790 in molecule.smi (1871/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084092 in molecule.smi (1872/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084093 in molecule.smi (1873/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1083791 in molecule.smi (1874/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084095 in molecule.smi (1876/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084094 in molecule.smi (1875/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084367 in molecule.smi (1877/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084368 in molecule.smi (1878/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084369 in molecule.smi (1879/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084096 in molecule.smi (1880/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084530 in molecule.smi (1881/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084531 in molecule.smi (1882/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084775 in molecule.smi (1884/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084774 in molecule.smi (1883/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082739 in molecule.smi (1886/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1082738 in molecule.smi (1885/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL118752 in molecule.smi (1887/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL330883 in molecule.smi (1888/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL331637 in molecule.smi (1890/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL118968 in molecule.smi (1889/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084952 in molecule.smi (1892/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL118033 in molecule.smi (1891/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL119634 in molecule.smi (1894/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL332454 in molecule.smi (1893/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL90241 in molecule.smi (1918/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL421501 in molecule.smi (1923/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL76014 in molecule.smi (1924/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL312761 in molecule.smi (1930/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL307004 in molecule.smi (1932/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL75305 in molecule.smi (1934/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL312310 in molecule.smi (1933/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL75985 in molecule.smi (1936/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL76173 in molecule.smi (1935/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL307908 in molecule.smi (1938/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL224158 in molecule.smi (1951/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL224335 in molecule.smi (1952/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1084262 in molecule.smi (1956/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL224336 in molecule.smi (1958/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL224998 in molecule.smi (1963/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL388627 in molecule.smi (1964/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL427082 in molecule.smi (1966/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL223714 in molecule.smi (1965/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL388615 in molecule.smi (1968/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL426015 in molecule.smi (1967/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1084544 in molecule.smi (1970/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1086007 in molecule.smi (1969/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL427342 in molecule.smi (1972/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL185896 in molecule.smi (1973/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL325109 in molecule.smi (1974/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL362579 in molecule.smi (1975/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL189870 in molecule.smi (1976/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL360186 in molecule.smi (1977/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL187030 in molecule.smi (1978/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1086358 in molecule.smi (1980/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL188019 in molecule.smi (1979/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL189764 in molecule.smi (1982/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL186896 in molecule.smi (1981/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1085465 in molecule.smi (1983/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL186349 in molecule.smi (1986/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL328085 in molecule.smi (1989/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL310555 in molecule.smi (1995/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1241457 in molecule.smi (2017/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL519475 in molecule.smi (2022/4695). Average speed: 0.26 s/mol.\n",
            "Processing CHEMBL1241427 in molecule.smi (2024/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL1257997 in molecule.smi (2026/4695). Average speed: 0.26 s/mol.\n",
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            "Processing CHEMBL291233 in molecule.smi (2086/4695). Average speed: 0.27 s/mol.\n",
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            "Processing CHEMBL426113 in molecule.smi (2088/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL397871 in molecule.smi (2090/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL451825 in molecule.smi (2089/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL238977 in molecule.smi (2091/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1644325 in molecule.smi (2093/4695). Average speed: 0.27 s/mol.\n",
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            "Processing CHEMBL1644328 in molecule.smi (2094/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651042 in molecule.smi (2095/4695). Average speed: 0.27 s/mol.\n",
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            "Processing CHEMBL1651041 in molecule.smi (2100/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651046 in molecule.smi (2099/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651047 in molecule.smi (2102/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651040 in molecule.smi (2101/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651038 in molecule.smi (2104/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651048 in molecule.smi (2103/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651125 in molecule.smi (2105/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1196495 in molecule.smi (2106/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651126 in molecule.smi (2107/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651127 in molecule.smi (2108/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651129 in molecule.smi (2110/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651128 in molecule.smi (2109/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651131 in molecule.smi (2112/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651130 in molecule.smi (2111/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651133 in molecule.smi (2114/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651132 in molecule.smi (2113/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651134 in molecule.smi (2115/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651135 in molecule.smi (2116/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651137 in molecule.smi (2118/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651136 in molecule.smi (2117/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651139 in molecule.smi (2120/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651138 in molecule.smi (2119/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651140 in molecule.smi (2121/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651141 in molecule.smi (2122/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651243 in molecule.smi (2123/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651244 in molecule.smi (2124/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651245 in molecule.smi (2125/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1179697 in molecule.smi (2126/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651246 in molecule.smi (2127/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651247 in molecule.smi (2128/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651249 in molecule.smi (2130/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651248 in molecule.smi (2129/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1651250 in molecule.smi (2131/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669479 in molecule.smi (2132/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669480 in molecule.smi (2133/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669481 in molecule.smi (2134/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669483 in molecule.smi (2136/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669482 in molecule.smi (2135/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669484 in molecule.smi (2137/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669485 in molecule.smi (2138/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669486 in molecule.smi (2139/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL104553 in molecule.smi (2140/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1643944 in molecule.smi (2141/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL104613 in molecule.smi (2142/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL105537 in molecule.smi (2143/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669487 in molecule.smi (2144/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669488 in molecule.smi (2145/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669489 in molecule.smi (2146/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669490 in molecule.smi (2147/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669491 in molecule.smi (2148/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669492 in molecule.smi (2149/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669493 in molecule.smi (2150/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1669494 in molecule.smi (2151/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1668333 in molecule.smi (2152/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1668334 in molecule.smi (2153/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761992 in molecule.smi (2155/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761991 in molecule.smi (2154/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL601410 in molecule.smi (2157/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761993 in molecule.smi (2156/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761994 in molecule.smi (2158/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761995 in molecule.smi (2159/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL105017 in molecule.smi (2160/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL225577 in molecule.smi (2161/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL104387 in molecule.smi (2163/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL105257 in molecule.smi (2162/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761996 in molecule.smi (2164/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761997 in molecule.smi (2165/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761999 in molecule.smi (2167/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1761998 in molecule.smi (2166/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1762001 in molecule.smi (2169/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1762000 in molecule.smi (2168/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1762003 in molecule.smi (2170/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1555 in molecule.smi (2171/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766151 in molecule.smi (2172/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1084213 in molecule.smi (2173/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1084211 in molecule.smi (2175/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1084212 in molecule.smi (2174/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1084210 in molecule.smi (2176/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766150 in molecule.smi (2177/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1082981 in molecule.smi (2178/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1082980 in molecule.smi (2179/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1082979 in molecule.smi (2180/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1085505 in molecule.smi (2181/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766149 in molecule.smi (2183/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1082978 in molecule.smi (2182/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766148 in molecule.smi (2184/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766147 in molecule.smi (2185/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766146 in molecule.smi (2186/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766145 in molecule.smi (2187/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766143 in molecule.smi (2189/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766144 in molecule.smi (2188/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766141 in molecule.smi (2191/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766142 in molecule.smi (2190/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766140 in molecule.smi (2192/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766139 in molecule.smi (2193/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766020 in molecule.smi (2194/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766019 in molecule.smi (2195/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766018 in molecule.smi (2196/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766017 in molecule.smi (2197/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1766016 in molecule.smi (2198/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1082977 in molecule.smi (2199/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1084808 in molecule.smi (2200/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1086014 in molecule.smi (2201/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1085781 in molecule.smi (2202/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1085780 in molecule.smi (2203/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770548 in molecule.smi (2204/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770550 in molecule.smi (2206/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770549 in molecule.smi (2205/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770551 in molecule.smi (2207/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770552 in molecule.smi (2208/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770554 in molecule.smi (2210/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770553 in molecule.smi (2209/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1770555 in molecule.smi (2211/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL188821 in molecule.smi (2212/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL187404 in molecule.smi (2213/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1771549 in molecule.smi (2214/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773478 in molecule.smi (2216/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1771556 in molecule.smi (2215/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773479 in molecule.smi (2217/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773480 in molecule.smi (2218/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773481 in molecule.smi (2219/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773482 in molecule.smi (2220/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773484 in molecule.smi (2222/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773483 in molecule.smi (2221/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773485 in molecule.smi (2223/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773486 in molecule.smi (2224/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773487 in molecule.smi (2225/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773488 in molecule.smi (2226/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773489 in molecule.smi (2227/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773490 in molecule.smi (2228/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773491 in molecule.smi (2229/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1773492 in molecule.smi (2230/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1080386 in molecule.smi (2231/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1782707 in molecule.smi (2232/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1206 in molecule.smi (2233/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1782730 in molecule.smi (2234/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1784957 in molecule.smi (2235/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1784956 in molecule.smi (2236/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1784955 in molecule.smi (2237/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1784958 in molecule.smi (2238/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783529 in molecule.smi (2239/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783530 in molecule.smi (2240/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783531 in molecule.smi (2241/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783532 in molecule.smi (2242/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1782071 in molecule.smi (2243/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783534 in molecule.smi (2245/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783533 in molecule.smi (2244/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783535 in molecule.smi (2246/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783520 in molecule.smi (2247/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783521 in molecule.smi (2248/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783522 in molecule.smi (2249/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783524 in molecule.smi (2251/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783523 in molecule.smi (2250/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783526 in molecule.smi (2253/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783525 in molecule.smi (2252/4695). Average speed: 0.27 s/mol.\n",
            "Processing CHEMBL1783528 in molecule.smi (2255/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783527 in molecule.smi (2254/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783515 in molecule.smi (2257/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783514 in molecule.smi (2256/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783516 in molecule.smi (2258/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783517 in molecule.smi (2259/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783519 in molecule.smi (2261/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783518 in molecule.smi (2260/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL589390 in molecule.smi (2263/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1783499 in molecule.smi (2262/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1814729 in molecule.smi (2264/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1814730 in molecule.smi (2265/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1814731 in molecule.smi (2266/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819169 in molecule.smi (2267/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819170 in molecule.smi (2268/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819172 in molecule.smi (2270/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819171 in molecule.smi (2269/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819173 in molecule.smi (2271/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819174 in molecule.smi (2272/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819175 in molecule.smi (2273/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819176 in molecule.smi (2274/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819177 in molecule.smi (2275/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819178 in molecule.smi (2276/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819179 in molecule.smi (2277/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1819180 in molecule.smi (2278/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834076 in molecule.smi (2279/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834060 in molecule.smi (2280/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834061 in molecule.smi (2281/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834062 in molecule.smi (2282/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834063 in molecule.smi (2283/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834064 in molecule.smi (2284/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834065 in molecule.smi (2285/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834066 in molecule.smi (2286/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834068 in molecule.smi (2288/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834067 in molecule.smi (2287/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834069 in molecule.smi (2289/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834070 in molecule.smi (2290/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834071 in molecule.smi (2291/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834072 in molecule.smi (2292/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834074 in molecule.smi (2294/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834073 in molecule.smi (2293/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834075 in molecule.smi (2295/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834077 in molecule.smi (2296/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834078 in molecule.smi (2297/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834079 in molecule.smi (2298/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834808 in molecule.smi (2300/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834806 in molecule.smi (2299/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834809 in molecule.smi (2302/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834807 in molecule.smi (2301/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834877 in molecule.smi (2303/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834810 in molecule.smi (2304/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1834811 in molecule.smi (2305/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL221753 in molecule.smi (2306/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL12089 in molecule.smi (2307/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL31184 in molecule.smi (2308/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL990 in molecule.smi (2309/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL40583 in molecule.smi (2310/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL195437 in molecule.smi (2311/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL305660 in molecule.smi (2312/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL64894 in molecule.smi (2313/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL808 in molecule.smi (2314/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL496 in molecule.smi (2315/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1200623 in molecule.smi (2316/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL672 in molecule.smi (2317/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL7002 in molecule.smi (2318/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL12131 in molecule.smi (2319/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL104 in molecule.smi (2320/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL411 in molecule.smi (2321/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL334255 in molecule.smi (2322/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3183075 in molecule.smi (2323/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1262 in molecule.smi (2324/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL7568 in molecule.smi (2325/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL91 in molecule.smi (2326/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL19215 in molecule.smi (2327/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL481 in molecule.smi (2328/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1306 in molecule.smi (2329/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL81 in molecule.smi (2330/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912062 in molecule.smi (2331/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912061 in molecule.smi (2332/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912060 in molecule.smi (2333/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912059 in molecule.smi (2334/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912058 in molecule.smi (2335/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912063 in molecule.smi (2336/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1912064 in molecule.smi (2337/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1917825 in molecule.smi (2338/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1917826 in molecule.smi (2339/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1618217 in molecule.smi (2340/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1618106 in molecule.smi (2341/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1914495 in molecule.smi (2342/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915758 in molecule.smi (2343/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915759 in molecule.smi (2344/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1087180 in molecule.smi (2346/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1086927 in molecule.smi (2345/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL465514 in molecule.smi (2347/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1087131 in molecule.smi (2348/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL240972 in molecule.smi (2349/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915760 in molecule.smi (2350/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915761 in molecule.smi (2351/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915762 in molecule.smi (2352/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1098479 in molecule.smi (2353/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915763 in molecule.smi (2354/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915764 in molecule.smi (2355/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL465487 in molecule.smi (2356/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL460969 in molecule.smi (2357/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL512830 in molecule.smi (2358/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915765 in molecule.smi (2359/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1915766 in molecule.smi (2360/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1916475 in molecule.smi (2361/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1916766 in molecule.smi (2362/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1916927 in molecule.smi (2365/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1922540 in molecule.smi (2367/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1922541 in molecule.smi (2368/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL180483 in molecule.smi (2369/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1929421 in molecule.smi (2370/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1940736 in molecule.smi (2371/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1940613 in molecule.smi (2375/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1940612 in molecule.smi (2374/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1940614 in molecule.smi (2376/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1952057 in molecule.smi (2382/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952058 in molecule.smi (2383/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952059 in molecule.smi (2384/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952060 in molecule.smi (2385/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952061 in molecule.smi (2386/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952062 in molecule.smi (2387/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952063 in molecule.smi (2388/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952064 in molecule.smi (2389/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1952065 in molecule.smi (2390/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952067 in molecule.smi (2392/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952047 in molecule.smi (2393/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952048 in molecule.smi (2394/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1952050 in molecule.smi (2396/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL1952052 in molecule.smi (2398/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952053 in molecule.smi (2399/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2011402 in molecule.smi (2403/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952056 in molecule.smi (2402/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011403 in molecule.smi (2405/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL459258 in molecule.smi (2404/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011404 in molecule.smi (2406/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL253152 in molecule.smi (2407/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011405 in molecule.smi (2408/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL374130 in molecule.smi (2409/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL223256 in molecule.smi (2410/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011406 in molecule.smi (2411/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL399121 in molecule.smi (2412/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL9352 in molecule.smi (2413/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2011483 in molecule.smi (2415/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3215882 in molecule.smi (2416/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216777 in molecule.smi (2417/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3217208 in molecule.smi (2418/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011487 in molecule.smi (2419/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011488 in molecule.smi (2420/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216116 in molecule.smi (2421/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216554 in molecule.smi (2422/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011491 in molecule.smi (2423/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216555 in molecule.smi (2424/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216556 in molecule.smi (2425/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216557 in molecule.smi (2426/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011495 in molecule.smi (2427/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011496 in molecule.smi (2428/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216778 in molecule.smi (2429/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL3216779 in molecule.smi (2430/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1994202 in molecule.smi (2431/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL340807 in molecule.smi (2433/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2011499 in molecule.smi (2432/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2018160 in molecule.smi (2434/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2018161 in molecule.smi (2435/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL376478 in molecule.smi (2436/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2018162 in molecule.smi (2437/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019053 in molecule.smi (2438/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019052 in molecule.smi (2439/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019049 in molecule.smi (2440/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019047 in molecule.smi (2442/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019048 in molecule.smi (2441/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019046 in molecule.smi (2443/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019044 in molecule.smi (2444/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019041 in molecule.smi (2446/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019043 in molecule.smi (2445/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019040 in molecule.smi (2447/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2019038 in molecule.smi (2448/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2047528 in molecule.smi (2455/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2047227 in molecule.smi (2464/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2047225 in molecule.smi (2466/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2047223 in molecule.smi (2468/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2064471 in molecule.smi (2469/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2064470 in molecule.smi (2470/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2064469 in molecule.smi (2471/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2064404 in molecule.smi (2476/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2071424 in molecule.smi (2477/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2071425 in molecule.smi (2478/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2071427 in molecule.smi (2480/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2071426 in molecule.smi (2479/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL463686 in molecule.smi (2481/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL1952289 in molecule.smi (2483/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088687 in molecule.smi (2484/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088780 in molecule.smi (2485/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088781 in molecule.smi (2486/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088782 in molecule.smi (2487/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088783 in molecule.smi (2488/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088784 in molecule.smi (2489/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088785 in molecule.smi (2490/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2147460 in molecule.smi (2492/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2088786 in molecule.smi (2491/4695). Average speed: 0.28 s/mol.\n",
            "Processing CHEMBL2147461 in molecule.smi (2494/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2160226 in molecule.smi (2496/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2160225 in molecule.smi (2498/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2160220 in molecule.smi (2500/4695). Average speed: 0.28 s/mol.\n",
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            "Processing CHEMBL2160217 in molecule.smi (2503/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2160213 in molecule.smi (2505/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL258893 in molecule.smi (2506/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2163795 in molecule.smi (2507/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2181440 in molecule.smi (2508/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2206900 in molecule.smi (2516/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2238006 in molecule.smi (2527/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2238004 in molecule.smi (2529/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2238005 in molecule.smi (2528/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2238003 in molecule.smi (2530/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2238002 in molecule.smi (2531/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2238001 in molecule.smi (2532/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2238000 in molecule.smi (2533/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2237999 in molecule.smi (2534/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2237998 in molecule.smi (2535/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2237997 in molecule.smi (2536/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2237995 in molecule.smi (2538/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2237994 in molecule.smi (2539/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2237993 in molecule.smi (2540/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2237992 in molecule.smi (2541/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL400257 in molecule.smi (2543/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL607537 in molecule.smi (2544/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL256497 in molecule.smi (2545/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL21396 in molecule.smi (2546/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL128392 in molecule.smi (2547/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL128780 in molecule.smi (2548/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL129577 in molecule.smi (2549/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL128390 in molecule.smi (2550/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2236393 in molecule.smi (2552/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2236394 in molecule.smi (2551/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234536 in molecule.smi (2554/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2234522 in molecule.smi (2568/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2234520 in molecule.smi (2570/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2234518 in molecule.smi (2572/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2234516 in molecule.smi (2574/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL2234515 in molecule.smi (2575/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234513 in molecule.smi (2577/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234514 in molecule.smi (2576/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234511 in molecule.smi (2579/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234512 in molecule.smi (2578/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234844 in molecule.smi (2581/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234845 in molecule.smi (2580/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234842 in molecule.smi (2583/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234843 in molecule.smi (2582/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234840 in molecule.smi (2585/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234841 in molecule.smi (2584/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234838 in molecule.smi (2587/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234839 in molecule.smi (2586/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234837 in molecule.smi (2588/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234835 in molecule.smi (2590/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234836 in molecule.smi (2589/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234834 in molecule.smi (2591/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234833 in molecule.smi (2592/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234832 in molecule.smi (2593/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234830 in molecule.smi (2595/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234831 in molecule.smi (2594/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234547 in molecule.smi (2597/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234829 in molecule.smi (2596/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234545 in molecule.smi (2599/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234546 in molecule.smi (2598/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234544 in molecule.smi (2600/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252378 in molecule.smi (2601/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL253603 in molecule.smi (2602/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL398250 in molecule.smi (2603/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL253602 in molecule.smi (2604/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL398249 in molecule.smi (2605/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252781 in molecule.smi (2606/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234543 in molecule.smi (2607/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234541 in molecule.smi (2609/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234542 in molecule.smi (2608/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252578 in molecule.smi (2611/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234540 in molecule.smi (2610/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252580 in molecule.smi (2612/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234539 in molecule.smi (2613/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2234538 in molecule.smi (2614/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL400675 in molecule.smi (2615/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252579 in molecule.smi (2616/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252380 in molecule.smi (2617/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL252379 in molecule.smi (2618/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL399040 in molecule.smi (2619/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL404407 in molecule.smi (2620/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL253783 in molecule.smi (2621/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL253782 in molecule.smi (2622/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL253386 in molecule.smi (2623/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2297278 in molecule.smi (2625/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2297277 in molecule.smi (2624/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL28 in molecule.smi (2626/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL164 in molecule.smi (2628/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL31574 in molecule.smi (2627/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL309490 in molecule.smi (2629/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2297279 in molecule.smi (2630/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL226335 in molecule.smi (2631/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL594229 in molecule.smi (2632/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2297280 in molecule.smi (2633/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL50 in molecule.smi (2634/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2314726 in molecule.smi (2635/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2323356 in molecule.smi (2636/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2323355 in molecule.smi (2637/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2323354 in molecule.smi (2638/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2323353 in molecule.smi (2639/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2323352 in molecule.smi (2640/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2323351 in molecule.smi (2641/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332981 in molecule.smi (2642/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332540 in molecule.smi (2643/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332541 in molecule.smi (2644/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332530 in molecule.smi (2645/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332531 in molecule.smi (2646/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332532 in molecule.smi (2647/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332533 in molecule.smi (2648/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332534 in molecule.smi (2649/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332543 in molecule.smi (2651/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332542 in molecule.smi (2650/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332545 in molecule.smi (2653/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332544 in molecule.smi (2652/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332979 in molecule.smi (2655/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332980 in molecule.smi (2654/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332977 in molecule.smi (2657/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332978 in molecule.smi (2656/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332975 in molecule.smi (2659/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332976 in molecule.smi (2658/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332974 in molecule.smi (2660/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332550 in molecule.smi (2661/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332549 in molecule.smi (2662/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332548 in molecule.smi (2663/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332547 in molecule.smi (2664/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL350032 in molecule.smi (2665/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL152675 in molecule.smi (2666/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332546 in molecule.smi (2668/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL454594 in molecule.smi (2667/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332536 in molecule.smi (2670/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332537 in molecule.smi (2669/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332539 in molecule.smi (2672/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332535 in molecule.smi (2671/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL156016 in molecule.smi (2674/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2332538 in molecule.smi (2673/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2377878 in molecule.smi (2676/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2377874 in molecule.smi (2675/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2377877 in molecule.smi (2677/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2377876 in molecule.smi (2678/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2377875 in molecule.smi (2679/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2375480 in molecule.smi (2680/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2377873 in molecule.smi (2681/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2375483 in molecule.smi (2682/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2375481 in molecule.smi (2684/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2375482 in molecule.smi (2683/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380667 in molecule.smi (2685/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380677 in molecule.smi (2686/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380676 in molecule.smi (2687/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380675 in molecule.smi (2688/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380674 in molecule.smi (2689/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380673 in molecule.smi (2690/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380672 in molecule.smi (2691/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380671 in molecule.smi (2692/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380670 in molecule.smi (2693/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380669 in molecule.smi (2694/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2380668 in molecule.smi (2695/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2381401 in molecule.smi (2696/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2386558 in molecule.smi (2697/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396914 in molecule.smi (2698/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396913 in molecule.smi (2699/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1429841 in molecule.smi (2701/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396912 in molecule.smi (2700/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396910 in molecule.smi (2703/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396911 in molecule.smi (2702/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396909 in molecule.smi (2704/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1572608 in molecule.smi (2706/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396908 in molecule.smi (2705/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396906 in molecule.smi (2708/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396907 in molecule.smi (2707/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396905 in molecule.smi (2709/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396904 in molecule.smi (2710/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1376358 in molecule.smi (2712/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2396903 in molecule.smi (2711/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1443379 in molecule.smi (2714/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL145 in molecule.smi (2713/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2402007 in molecule.smi (2715/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL164660 in molecule.smi (2716/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1079905 in molecule.smi (2717/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL628 in molecule.smi (2718/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL113 in molecule.smi (2719/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1424 in molecule.smi (2720/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2409142 in molecule.smi (2721/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL448799 in molecule.smi (2722/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2409141 in molecule.smi (2723/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2409140 in molecule.smi (2724/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413744 in molecule.smi (2725/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413743 in molecule.smi (2726/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413742 in molecule.smi (2727/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413741 in molecule.smi (2728/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413740 in molecule.smi (2729/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413738 in molecule.smi (2731/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413739 in molecule.smi (2730/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413736 in molecule.smi (2733/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413737 in molecule.smi (2732/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413734 in molecule.smi (2735/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413735 in molecule.smi (2734/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413732 in molecule.smi (2737/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413733 in molecule.smi (2736/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413560 in molecule.smi (2739/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413561 in molecule.smi (2738/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413558 in molecule.smi (2741/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413559 in molecule.smi (2740/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413746 in molecule.smi (2743/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2413745 in molecule.smi (2742/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419690 in molecule.smi (2745/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL377740 in molecule.smi (2744/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419688 in molecule.smi (2747/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419689 in molecule.smi (2746/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419687 in molecule.smi (2748/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419685 in molecule.smi (2750/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419686 in molecule.smi (2749/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419683 in molecule.smi (2752/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419684 in molecule.smi (2751/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419682 in molecule.smi (2753/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2419681 in molecule.smi (2754/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425415 in molecule.smi (2755/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425414 in molecule.smi (2756/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425413 in molecule.smi (2757/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425412 in molecule.smi (2758/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425410 in molecule.smi (2759/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425409 in molecule.smi (2760/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425408 in molecule.smi (2761/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425407 in molecule.smi (2762/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425418 in molecule.smi (2763/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2425417 in molecule.smi (2764/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441695 in molecule.smi (2765/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441694 in molecule.smi (2766/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441693 in molecule.smi (2767/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441691 in molecule.smi (2769/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441692 in molecule.smi (2768/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441690 in molecule.smi (2770/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441689 in molecule.smi (2771/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441688 in molecule.smi (2772/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441687 in molecule.smi (2773/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441686 in molecule.smi (2774/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441685 in molecule.smi (2775/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441684 in molecule.smi (2776/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2440134 in molecule.smi (2777/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441683 in molecule.smi (2778/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441682 in molecule.smi (2779/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441680 in molecule.smi (2781/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441681 in molecule.smi (2780/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441678 in molecule.smi (2783/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441679 in molecule.smi (2782/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441676 in molecule.smi (2785/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441677 in molecule.smi (2784/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441675 in molecule.smi (2786/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441674 in molecule.smi (2787/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441673 in molecule.smi (2788/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441672 in molecule.smi (2789/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441671 in molecule.smi (2790/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441669 in molecule.smi (2792/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441670 in molecule.smi (2791/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441668 in molecule.smi (2793/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441666 in molecule.smi (2795/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441667 in molecule.smi (2794/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2441665 in molecule.smi (2796/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087683 in molecule.smi (2797/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087682 in molecule.smi (2798/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087681 in molecule.smi (2799/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087680 in molecule.smi (2800/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087677 in molecule.smi (2802/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087679 in molecule.smi (2801/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087676 in molecule.smi (2803/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087675 in molecule.smi (2804/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3087674 in molecule.smi (2805/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3085881 in molecule.smi (2806/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL430403 in molecule.smi (2807/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL398628 in molecule.smi (2808/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3086279 in molecule.smi (2809/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3086278 in molecule.smi (2810/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3086277 in molecule.smi (2811/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3086276 in molecule.smi (2812/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093180 in molecule.smi (2813/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093175 in molecule.smi (2814/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093174 in molecule.smi (2815/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093173 in molecule.smi (2816/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093791 in molecule.smi (2817/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093787 in molecule.smi (2818/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093804 in molecule.smi (2819/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093802 in molecule.smi (2821/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093803 in molecule.smi (2820/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093800 in molecule.smi (2823/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093801 in molecule.smi (2822/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093799 in molecule.smi (2824/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093798 in molecule.smi (2825/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093797 in molecule.smi (2826/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093796 in molecule.smi (2827/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093795 in molecule.smi (2828/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3093794 in molecule.smi (2829/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL187266 in molecule.smi (2830/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL363535 in molecule.smi (2831/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL227075 in molecule.smi (2832/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3099500 in molecule.smi (2833/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL51085 in molecule.smi (2834/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115026 in molecule.smi (2835/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3112614 in molecule.smi (2836/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115025 in molecule.smi (2837/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115024 in molecule.smi (2838/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115023 in molecule.smi (2839/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115022 in molecule.smi (2840/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115021 in molecule.smi (2841/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115020 in molecule.smi (2842/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115029 in molecule.smi (2843/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115028 in molecule.smi (2844/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115027 in molecule.smi (2845/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115038 in molecule.smi (2846/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115037 in molecule.smi (2847/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115036 in molecule.smi (2848/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115035 in molecule.smi (2849/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115034 in molecule.smi (2850/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115033 in molecule.smi (2851/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115032 in molecule.smi (2852/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115030 in molecule.smi (2854/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115031 in molecule.smi (2853/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115198 in molecule.smi (2855/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115197 in molecule.smi (2856/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115196 in molecule.smi (2857/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115048 in molecule.smi (2858/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115047 in molecule.smi (2859/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115046 in molecule.smi (2860/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115045 in molecule.smi (2861/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115044 in molecule.smi (2862/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115043 in molecule.smi (2863/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115042 in molecule.smi (2864/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115041 in molecule.smi (2865/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115040 in molecule.smi (2866/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3115039 in molecule.smi (2867/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116300 in molecule.smi (2869/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116301 in molecule.smi (2868/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116298 in molecule.smi (2871/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116299 in molecule.smi (2870/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116297 in molecule.smi (2872/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116296 in molecule.smi (2873/4695). Average speed: 0.29 s/mol.\n",
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            "Processing CHEMBL3116292 in molecule.smi (2877/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116291 in molecule.smi (2878/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116290 in molecule.smi (2879/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116289 in molecule.smi (2880/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1973869 in molecule.smi (2881/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116288 in molecule.smi (2882/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116287 in molecule.smi (2883/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116286 in molecule.smi (2884/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116285 in molecule.smi (2885/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116284 in molecule.smi (2886/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116283 in molecule.smi (2887/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116281 in molecule.smi (2889/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116282 in molecule.smi (2888/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116280 in molecule.smi (2890/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116279 in molecule.smi (2891/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3116278 in molecule.smi (2892/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122169 in molecule.smi (2893/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122168 in molecule.smi (2894/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122167 in molecule.smi (2895/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122166 in molecule.smi (2896/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122150 in molecule.smi (2897/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122149 in molecule.smi (2898/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122148 in molecule.smi (2899/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122147 in molecule.smi (2900/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122146 in molecule.smi (2901/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122145 in molecule.smi (2902/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122172 in molecule.smi (2903/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3120185 in molecule.smi (2904/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122170 in molecule.smi (2906/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3122171 in molecule.smi (2905/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3126996 in molecule.smi (2908/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3127003 in molecule.smi (2907/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3127006 in molecule.smi (2909/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133436 in molecule.smi (2910/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133434 in molecule.smi (2911/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133433 in molecule.smi (2912/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133432 in molecule.smi (2913/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133430 in molecule.smi (2914/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133427 in molecule.smi (2915/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133444 in molecule.smi (2916/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133442 in molecule.smi (2918/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133443 in molecule.smi (2917/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133440 in molecule.smi (2919/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3133439 in molecule.smi (2920/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220507 in molecule.smi (2921/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1325943 in molecule.smi (2922/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220508 in molecule.smi (2923/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220509 in molecule.smi (2924/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220510 in molecule.smi (2925/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220513 in molecule.smi (2926/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220801 in molecule.smi (2927/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220802 in molecule.smi (2928/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220803 in molecule.smi (2929/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220804 in molecule.smi (2930/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220805 in molecule.smi (2931/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220806 in molecule.smi (2932/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220807 in molecule.smi (2933/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3220808 in molecule.smi (2934/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237628 in molecule.smi (2935/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237629 in molecule.smi (2936/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237630 in molecule.smi (2937/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237631 in molecule.smi (2938/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237632 in molecule.smi (2939/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237633 in molecule.smi (2940/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237634 in molecule.smi (2941/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237520 in molecule.smi (2942/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3237527 in molecule.smi (2943/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1344483 in molecule.smi (2945/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1377579 in molecule.smi (2944/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233991 in molecule.smi (2947/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233990 in molecule.smi (2946/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233992 in molecule.smi (2949/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233022 in molecule.smi (2948/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233993 in molecule.smi (2950/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1191355 in molecule.smi (2951/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1194868 in molecule.smi (2952/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233994 in molecule.smi (2953/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233995 in molecule.smi (2954/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1192998 in molecule.smi (2955/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1190535 in molecule.smi (2956/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233996 in molecule.smi (2957/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233997 in molecule.smi (2958/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233998 in molecule.smi (2959/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233999 in molecule.smi (2960/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1556015 in molecule.smi (2961/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234000 in molecule.smi (2962/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL1611608 in molecule.smi (2963/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234001 in molecule.smi (2964/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL388560 in molecule.smi (2965/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3235502 in molecule.smi (2966/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3235503 in molecule.smi (2967/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL2171309 in molecule.smi (2968/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234591 in molecule.smi (2969/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234592 in molecule.smi (2970/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234587 in molecule.smi (2971/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234588 in molecule.smi (2972/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234589 in molecule.smi (2973/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234590 in molecule.smi (2974/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234594 in molecule.smi (2976/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3234593 in molecule.smi (2975/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233826 in molecule.smi (2977/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233827 in molecule.smi (2978/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233828 in molecule.smi (2979/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233829 in molecule.smi (2980/4695). Average speed: 0.29 s/mol.\n",
            "Processing CHEMBL3233830 in molecule.smi (2981/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233831 in molecule.smi (2982/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233832 in molecule.smi (2983/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3234038 in molecule.smi (2984/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3234040 in molecule.smi (2986/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3234039 in molecule.smi (2985/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL418068 in molecule.smi (2987/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL2007996 in molecule.smi (2988/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233934 in molecule.smi (2989/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3233935 in molecule.smi (2990/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261984 in molecule.smi (2991/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261985 in molecule.smi (2992/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261986 in molecule.smi (2993/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261987 in molecule.smi (2994/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261988 in molecule.smi (2995/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261990 in molecule.smi (2997/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261989 in molecule.smi (2996/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261991 in molecule.smi (2998/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3261992 in molecule.smi (2999/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262658 in molecule.smi (3000/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262661 in molecule.smi (3001/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262662 in molecule.smi (3002/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262663 in molecule.smi (3003/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262664 in molecule.smi (3004/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262665 in molecule.smi (3005/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262666 in molecule.smi (3006/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262667 in molecule.smi (3007/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262668 in molecule.smi (3008/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262669 in molecule.smi (3009/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262671 in molecule.smi (3011/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262670 in molecule.smi (3010/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262673 in molecule.smi (3013/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3262672 in molecule.smi (3012/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263725 in molecule.smi (3015/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL510363 in molecule.smi (3014/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263724 in molecule.smi (3016/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263726 in molecule.smi (3017/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263727 in molecule.smi (3018/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263728 in molecule.smi (3019/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263730 in molecule.smi (3021/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263729 in molecule.smi (3020/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263732 in molecule.smi (3023/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263731 in molecule.smi (3022/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263733 in molecule.smi (3024/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263735 in molecule.smi (3026/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263734 in molecule.smi (3025/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263737 in molecule.smi (3028/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3263736 in molecule.smi (3027/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289925 in molecule.smi (3030/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289924 in molecule.smi (3029/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289927 in molecule.smi (3032/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289926 in molecule.smi (3031/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289929 in molecule.smi (3034/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289928 in molecule.smi (3033/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289930 in molecule.smi (3035/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289932 in molecule.smi (3037/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289931 in molecule.smi (3036/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289934 in molecule.smi (3039/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289933 in molecule.smi (3038/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289936 in molecule.smi (3041/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289935 in molecule.smi (3040/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289938 in molecule.smi (3043/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289937 in molecule.smi (3042/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289939 in molecule.smi (3044/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289941 in molecule.smi (3046/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289940 in molecule.smi (3045/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289942 in molecule.smi (3047/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3289943 in molecule.smi (3048/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290187 in molecule.smi (3049/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290188 in molecule.smi (3050/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290189 in molecule.smi (3051/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290190 in molecule.smi (3052/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290191 in molecule.smi (3053/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290192 in molecule.smi (3054/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290193 in molecule.smi (3055/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290194 in molecule.smi (3056/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290195 in molecule.smi (3057/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3290196 in molecule.smi (3058/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL40275 in molecule.smi (3059/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL385181 in molecule.smi (3060/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL32778 in molecule.smi (3061/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3360486 in molecule.smi (3062/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3360487 in molecule.smi (3063/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353039 in molecule.smi (3064/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353040 in molecule.smi (3065/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353041 in molecule.smi (3066/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353042 in molecule.smi (3067/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353566 in molecule.smi (3068/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353567 in molecule.smi (3069/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3353568 in molecule.smi (3070/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3361270 in molecule.smi (3071/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323068 in molecule.smi (3072/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323065 in molecule.smi (3073/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323062 in molecule.smi (3074/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323059 in molecule.smi (3075/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323056 in molecule.smi (3076/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323053 in molecule.smi (3077/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323051 in molecule.smi (3078/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323046 in molecule.smi (3080/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323049 in molecule.smi (3079/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323042 in molecule.smi (3082/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323043 in molecule.smi (3081/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323039 in molecule.smi (3083/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323036 in molecule.smi (3084/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3323035 in molecule.smi (3085/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322157 in molecule.smi (3086/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322141 in molecule.smi (3088/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322140 in molecule.smi (3087/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322158 in molecule.smi (3090/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322142 in molecule.smi (3089/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322160 in molecule.smi (3092/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322159 in molecule.smi (3091/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322161 in molecule.smi (3093/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322162 in molecule.smi (3094/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322155 in molecule.smi (3095/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3313966 in molecule.smi (3097/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322156 in molecule.smi (3096/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1134 in molecule.smi (3098/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1196204 in molecule.smi (3099/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322231 in molecule.smi (3100/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322234 in molecule.smi (3101/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322233 in molecule.smi (3102/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3322232 in molecule.smi (3103/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL278020 in molecule.smi (3104/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3310703 in molecule.smi (3105/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3360758 in molecule.smi (3106/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3310705 in molecule.smi (3107/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3310704 in molecule.smi (3108/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3360757 in molecule.smi (3109/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3310706 in molecule.smi (3110/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3310697 in molecule.smi (3111/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3310699 in molecule.smi (3112/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3318018 in molecule.smi (3113/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3318017 in molecule.smi (3114/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL2391486 in molecule.smi (3115/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL276473 in molecule.smi (3116/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL2158994 in molecule.smi (3117/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338991 in molecule.smi (3118/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338992 in molecule.smi (3119/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338993 in molecule.smi (3120/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338994 in molecule.smi (3121/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3337471 in molecule.smi (3122/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338996 in molecule.smi (3124/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338995 in molecule.smi (3123/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338998 in molecule.smi (3126/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338997 in molecule.smi (3125/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339000 in molecule.smi (3128/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338999 in molecule.smi (3127/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339001 in molecule.smi (3129/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339002 in molecule.smi (3130/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339004 in molecule.smi (3132/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339003 in molecule.smi (3131/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339006 in molecule.smi (3134/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339005 in molecule.smi (3133/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339008 in molecule.smi (3136/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3339007 in molecule.smi (3135/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3355580 in molecule.smi (3138/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3355581 in molecule.smi (3137/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3355579 in molecule.smi (3139/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL151763 in molecule.smi (3140/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335072 in molecule.smi (3141/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335071 in molecule.smi (3142/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335070 in molecule.smi (3143/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3334506 in molecule.smi (3144/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335069 in molecule.smi (3145/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335067 in molecule.smi (3147/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335068 in molecule.smi (3146/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335066 in molecule.smi (3148/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335065 in molecule.smi (3149/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335064 in molecule.smi (3150/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335063 in molecule.smi (3151/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335062 in molecule.smi (3152/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335061 in molecule.smi (3153/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335060 in molecule.smi (3154/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335059 in molecule.smi (3155/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335058 in molecule.smi (3156/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335057 in molecule.smi (3157/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335056 in molecule.smi (3158/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335055 in molecule.smi (3159/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335054 in molecule.smi (3160/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335052 in molecule.smi (3162/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335053 in molecule.smi (3161/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335050 in molecule.smi (3164/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335051 in molecule.smi (3163/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335048 in molecule.smi (3166/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335049 in molecule.smi (3165/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335046 in molecule.smi (3168/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335047 in molecule.smi (3167/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335031 in molecule.smi (3170/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335032 in molecule.smi (3169/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335029 in molecule.smi (3172/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335030 in molecule.smi (3171/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335027 in molecule.smi (3174/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335028 in molecule.smi (3173/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335025 in molecule.smi (3176/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335026 in molecule.smi (3175/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335023 in molecule.smi (3178/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335024 in molecule.smi (3177/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335021 in molecule.smi (3180/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335022 in molecule.smi (3179/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335020 in molecule.smi (3181/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335019 in molecule.smi (3182/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335018 in molecule.smi (3183/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3335017 in molecule.smi (3184/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343708 in molecule.smi (3186/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343705 in molecule.smi (3185/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343712 in molecule.smi (3188/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343711 in molecule.smi (3187/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343714 in molecule.smi (3190/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343713 in molecule.smi (3189/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3355594 in molecule.smi (3191/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338388 in molecule.smi (3193/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338389 in molecule.smi (3192/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338387 in molecule.smi (3194/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3338386 in molecule.smi (3195/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343884 in molecule.smi (3196/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343885 in molecule.smi (3197/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343920 in molecule.smi (3198/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343922 in molecule.smi (3199/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343882 in molecule.smi (3200/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343923 in molecule.smi (3201/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343924 in molecule.smi (3202/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343925 in molecule.smi (3203/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343926 in molecule.smi (3204/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343928 in molecule.smi (3206/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343927 in molecule.smi (3205/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343930 in molecule.smi (3208/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343929 in molecule.smi (3207/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343932 in molecule.smi (3210/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3343931 in molecule.smi (3209/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356528 in molecule.smi (3211/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356529 in molecule.smi (3212/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356530 in molecule.smi (3213/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356531 in molecule.smi (3214/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356532 in molecule.smi (3215/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356533 in molecule.smi (3216/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356535 in molecule.smi (3218/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356534 in molecule.smi (3217/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356537 in molecule.smi (3220/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356536 in molecule.smi (3219/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356539 in molecule.smi (3222/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356538 in molecule.smi (3221/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356950 in molecule.smi (3224/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356540 in molecule.smi (3223/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356952 in molecule.smi (3226/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356951 in molecule.smi (3225/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356954 in molecule.smi (3228/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3356953 in molecule.smi (3227/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3393674 in molecule.smi (3230/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3393675 in molecule.smi (3229/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3393673 in molecule.smi (3231/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403878 in molecule.smi (3232/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403877 in molecule.smi (3233/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3400187 in molecule.smi (3234/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403874 in molecule.smi (3235/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402707 in molecule.smi (3236/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402708 in molecule.smi (3237/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402709 in molecule.smi (3238/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402710 in molecule.smi (3239/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402712 in molecule.smi (3240/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402713 in molecule.smi (3241/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402714 in molecule.smi (3242/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402717 in molecule.smi (3244/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402715 in molecule.smi (3243/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402719 in molecule.smi (3246/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402718 in molecule.smi (3245/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403305 in molecule.smi (3248/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3402720 in molecule.smi (3247/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403307 in molecule.smi (3250/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403306 in molecule.smi (3249/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403308 in molecule.smi (3251/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403309 in molecule.smi (3252/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403310 in molecule.smi (3253/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403311 in molecule.smi (3254/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403312 in molecule.smi (3255/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403313 in molecule.smi (3256/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403314 in molecule.smi (3257/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403315 in molecule.smi (3258/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3403316 in molecule.smi (3259/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407587 in molecule.smi (3260/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407586 in molecule.smi (3261/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407584 in molecule.smi (3263/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407585 in molecule.smi (3262/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407582 in molecule.smi (3265/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407583 in molecule.smi (3264/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407591 in molecule.smi (3267/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3407581 in molecule.smi (3266/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410956 in molecule.smi (3269/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410957 in molecule.smi (3268/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410954 in molecule.smi (3271/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410955 in molecule.smi (3270/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410953 in molecule.smi (3272/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410952 in molecule.smi (3273/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3410951 in molecule.smi (3274/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417009 in molecule.smi (3275/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL85251 in molecule.smi (3276/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3414597 in molecule.smi (3277/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3416995 in molecule.smi (3278/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3416996 in molecule.smi (3279/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3416997 in molecule.smi (3280/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3416998 in molecule.smi (3281/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3416999 in molecule.smi (3282/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417000 in molecule.smi (3283/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417001 in molecule.smi (3284/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417002 in molecule.smi (3285/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417004 in molecule.smi (3287/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417003 in molecule.smi (3286/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417006 in molecule.smi (3288/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417008 in molecule.smi (3289/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415643 in molecule.smi (3290/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415558 in molecule.smi (3291/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415559 in molecule.smi (3292/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415560 in molecule.smi (3293/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415561 in molecule.smi (3294/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415563 in molecule.smi (3295/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415564 in molecule.smi (3296/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415565 in molecule.smi (3297/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415566 in molecule.smi (3298/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415568 in molecule.smi (3299/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415569 in molecule.smi (3300/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415570 in molecule.smi (3301/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415573 in molecule.smi (3302/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415574 in molecule.smi (3303/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415575 in molecule.smi (3304/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415576 in molecule.smi (3305/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415578 in molecule.smi (3306/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415579 in molecule.smi (3307/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415580 in molecule.smi (3308/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3415581 in molecule.smi (3309/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417300 in molecule.smi (3310/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3417299 in molecule.smi (3311/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577508 in molecule.smi (3313/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577505 in molecule.smi (3312/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577509 in molecule.smi (3314/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577510 in molecule.smi (3315/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577511 in molecule.smi (3316/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577517 in molecule.smi (3317/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577520 in molecule.smi (3318/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577522 in molecule.smi (3319/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3577524 in molecule.smi (3320/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3359895 in molecule.smi (3321/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582200 in molecule.smi (3322/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582201 in molecule.smi (3323/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582202 in molecule.smi (3324/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582203 in molecule.smi (3325/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582204 in molecule.smi (3326/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582206 in molecule.smi (3328/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582205 in molecule.smi (3327/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582207 in molecule.smi (3329/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582208 in molecule.smi (3330/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582209 in molecule.smi (3331/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582211 in molecule.smi (3333/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582210 in molecule.smi (3332/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582212 in molecule.smi (3334/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582213 in molecule.smi (3335/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582214 in molecule.smi (3336/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582215 in molecule.smi (3337/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582216 in molecule.smi (3338/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582218 in molecule.smi (3339/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582223 in molecule.smi (3340/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582224 in molecule.smi (3341/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582226 in molecule.smi (3343/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582225 in molecule.smi (3342/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582228 in molecule.smi (3345/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582227 in molecule.smi (3344/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582230 in molecule.smi (3347/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582229 in molecule.smi (3346/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582232 in molecule.smi (3349/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3582231 in molecule.smi (3348/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3581580 in molecule.smi (3350/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3581576 in molecule.smi (3351/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3581573 in molecule.smi (3352/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3581572 in molecule.smi (3353/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585374 in molecule.smi (3354/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585375 in molecule.smi (3355/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586574 in molecule.smi (3356/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586576 in molecule.smi (3357/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586577 in molecule.smi (3358/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586582 in molecule.smi (3359/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586583 in molecule.smi (3360/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586592 in molecule.smi (3361/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586593 in molecule.smi (3362/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586594 in molecule.smi (3363/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586595 in molecule.smi (3364/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586600 in molecule.smi (3365/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586602 in molecule.smi (3366/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586604 in molecule.smi (3367/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586605 in molecule.smi (3368/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586608 in molecule.smi (3369/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586610 in molecule.smi (3370/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586614 in molecule.smi (3371/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586196 in molecule.smi (3372/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586197 in molecule.smi (3373/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586199 in molecule.smi (3375/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586198 in molecule.smi (3374/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586201 in molecule.smi (3377/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586200 in molecule.smi (3376/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586202 in molecule.smi (3378/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586203 in molecule.smi (3379/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL506258 in molecule.smi (3380/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586205 in molecule.smi (3382/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586204 in molecule.smi (3381/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586207 in molecule.smi (3384/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3586206 in molecule.smi (3383/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL295124 in molecule.smi (3385/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585777 in molecule.smi (3386/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585776 in molecule.smi (3387/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585778 in molecule.smi (3389/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585775 in molecule.smi (3388/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585779 in molecule.smi (3390/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585780 in molecule.smi (3391/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585781 in molecule.smi (3392/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585782 in molecule.smi (3393/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585783 in molecule.smi (3394/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3585784 in molecule.smi (3395/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597939 in molecule.smi (3396/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597941 in molecule.smi (3397/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597942 in molecule.smi (3398/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597944 in molecule.smi (3399/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597946 in molecule.smi (3400/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597948 in molecule.smi (3401/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597556 in molecule.smi (3402/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597548 in molecule.smi (3403/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597067 in molecule.smi (3405/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597068 in molecule.smi (3404/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597065 in molecule.smi (3406/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597064 in molecule.smi (3407/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597063 in molecule.smi (3408/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597062 in molecule.smi (3409/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597061 in molecule.smi (3410/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597060 in molecule.smi (3411/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597059 in molecule.smi (3412/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597057 in molecule.smi (3414/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597058 in molecule.smi (3413/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597056 in molecule.smi (3415/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597055 in molecule.smi (3416/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597054 in molecule.smi (3417/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597010 in molecule.smi (3418/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597009 in molecule.smi (3419/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597008 in molecule.smi (3420/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597007 in molecule.smi (3421/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597006 in molecule.smi (3422/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597005 in molecule.smi (3423/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597004 in molecule.smi (3424/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597002 in molecule.smi (3426/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597003 in molecule.smi (3425/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597000 in molecule.smi (3428/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3597001 in molecule.smi (3427/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3600552 in molecule.smi (3430/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3600551 in molecule.smi (3429/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3600553 in molecule.smi (3431/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3600554 in molecule.smi (3432/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3600555 in molecule.smi (3433/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3600556 in molecule.smi (3434/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3605437 in molecule.smi (3435/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3605434 in molecule.smi (3437/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3605436 in molecule.smi (3436/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3605433 in molecule.smi (3438/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3605432 in molecule.smi (3439/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605431 in molecule.smi (3440/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3605430 in molecule.smi (3441/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605428 in molecule.smi (3442/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605426 in molecule.smi (3443/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605424 in molecule.smi (3445/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605425 in molecule.smi (3444/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605422 in molecule.smi (3447/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605423 in molecule.smi (3446/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605418 in molecule.smi (3449/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605419 in molecule.smi (3448/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605314 in molecule.smi (3451/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605316 in molecule.smi (3450/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605310 in molecule.smi (3453/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605313 in molecule.smi (3452/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605309 in molecule.smi (3454/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3605308 in molecule.smi (3455/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604192 in molecule.smi (3456/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604194 in molecule.smi (3458/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604193 in molecule.smi (3457/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604196 in molecule.smi (3460/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604195 in molecule.smi (3459/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604197 in molecule.smi (3461/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604198 in molecule.smi (3462/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3621335 in molecule.smi (3464/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3604199 in molecule.smi (3463/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3621334 in molecule.smi (3465/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3621333 in molecule.smi (3466/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3621332 in molecule.smi (3467/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3621322 in molecule.smi (3468/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623558 in molecule.smi (3469/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623557 in molecule.smi (3470/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623556 in molecule.smi (3471/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623555 in molecule.smi (3472/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623553 in molecule.smi (3474/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623554 in molecule.smi (3473/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623551 in molecule.smi (3476/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623552 in molecule.smi (3475/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623550 in molecule.smi (3477/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623549 in molecule.smi (3478/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623548 in molecule.smi (3479/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL89354 in molecule.smi (3480/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3137700 in molecule.smi (3481/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL167911 in molecule.smi (3482/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623563 in molecule.smi (3484/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL446060 in molecule.smi (3483/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623562 in molecule.smi (3485/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623560 in molecule.smi (3487/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3623561 in molecule.smi (3486/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3623559 in molecule.smi (3488/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3623567 in molecule.smi (3489/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3623566 in molecule.smi (3490/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3623565 in molecule.smi (3491/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3623564 in molecule.smi (3492/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628053 in molecule.smi (3493/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628054 in molecule.smi (3494/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628055 in molecule.smi (3495/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628056 in molecule.smi (3496/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628057 in molecule.smi (3497/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628058 in molecule.smi (3498/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628059 in molecule.smi (3499/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628060 in molecule.smi (3500/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628061 in molecule.smi (3501/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628062 in molecule.smi (3502/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628063 in molecule.smi (3503/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628064 in molecule.smi (3504/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628065 in molecule.smi (3505/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628066 in molecule.smi (3506/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628183 in molecule.smi (3508/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628067 in molecule.smi (3507/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628184 in molecule.smi (3509/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628185 in molecule.smi (3510/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3628186 in molecule.smi (3511/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632858 in molecule.smi (3512/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632857 in molecule.smi (3513/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632856 in molecule.smi (3514/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632855 in molecule.smi (3515/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632854 in molecule.smi (3516/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632853 in molecule.smi (3517/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632852 in molecule.smi (3518/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632846 in molecule.smi (3519/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632847 in molecule.smi (3520/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632626 in molecule.smi (3521/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632848 in molecule.smi (3522/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632850 in molecule.smi (3524/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL3632987 in molecule.smi (3526/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632851 in molecule.smi (3525/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3632988 in molecule.smi (3527/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3632989 in molecule.smi (3528/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3632990 in molecule.smi (3529/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3632991 in molecule.smi (3530/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3632992 in molecule.smi (3531/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3632993 in molecule.smi (3532/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3632994 in molecule.smi (3533/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL153 in molecule.smi (3534/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642057 in molecule.smi (3535/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642042 in molecule.smi (3536/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642043 in molecule.smi (3538/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642053 in molecule.smi (3537/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642045 in molecule.smi (3539/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642054 in molecule.smi (3540/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642047 in molecule.smi (3541/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642049 in molecule.smi (3542/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642041 in molecule.smi (3543/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642046 in molecule.smi (3544/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642050 in molecule.smi (3545/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642052 in molecule.smi (3546/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642055 in molecule.smi (3547/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642051 in molecule.smi (3549/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642044 in molecule.smi (3548/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642048 in molecule.smi (3551/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642040 in molecule.smi (3550/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3736339 in molecule.smi (3553/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3642056 in molecule.smi (3552/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3735606 in molecule.smi (3554/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3734787 in molecule.smi (3555/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3735042 in molecule.smi (3556/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL2179375 in molecule.smi (3557/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3401159 in molecule.smi (3558/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752974 in molecule.smi (3559/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752232 in molecule.smi (3560/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754631 in molecule.smi (3561/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752908 in molecule.smi (3563/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754448 in molecule.smi (3562/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754585 in molecule.smi (3564/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752710 in molecule.smi (3566/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754622 in molecule.smi (3565/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL189886 in molecule.smi (3567/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754480 in molecule.smi (3568/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754739 in molecule.smi (3569/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3754146 in molecule.smi (3571/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3751941 in molecule.smi (3572/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752356 in molecule.smi (3573/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752969 in molecule.smi (3574/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752543 in molecule.smi (3575/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752467 in molecule.smi (3576/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3753405 in molecule.smi (3577/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754341 in molecule.smi (3578/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754694 in molecule.smi (3579/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3753957 in molecule.smi (3580/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754778 in molecule.smi (3581/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752384 in molecule.smi (3582/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3753360 in molecule.smi (3583/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754672 in molecule.smi (3584/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754005 in molecule.smi (3585/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752685 in molecule.smi (3586/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3751866 in molecule.smi (3587/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752119 in molecule.smi (3589/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3754291 in molecule.smi (3588/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3753508 in molecule.smi (3591/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3753850 in molecule.smi (3590/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3753706 in molecule.smi (3592/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752451 in molecule.smi (3593/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752227 in molecule.smi (3595/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3752555 in molecule.smi (3594/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3759090 in molecule.smi (3596/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3758282 in molecule.smi (3597/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3759013 in molecule.smi (3598/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL395280 in molecule.smi (3599/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764433 in molecule.smi (3600/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764900 in molecule.smi (3601/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764714 in molecule.smi (3602/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764065 in molecule.smi (3604/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763417 in molecule.smi (3603/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764488 in molecule.smi (3605/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763832 in molecule.smi (3606/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765098 in molecule.smi (3607/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763973 in molecule.smi (3608/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763232 in molecule.smi (3609/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764376 in molecule.smi (3610/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763609 in molecule.smi (3611/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763820 in molecule.smi (3613/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765476 in molecule.smi (3612/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765697 in molecule.smi (3614/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765569 in molecule.smi (3615/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763482 in molecule.smi (3616/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765093 in molecule.smi (3617/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764100 in molecule.smi (3618/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765496 in molecule.smi (3620/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764679 in molecule.smi (3619/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763778 in molecule.smi (3621/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763203 in molecule.smi (3622/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764305 in molecule.smi (3624/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3764609 in molecule.smi (3626/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3765293 in molecule.smi (3625/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764762 in molecule.smi (3627/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3763535 in molecule.smi (3628/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769555 in molecule.smi (3630/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3764211 in molecule.smi (3629/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770203 in molecule.smi (3632/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769537 in molecule.smi (3631/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770803 in molecule.smi (3634/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770577 in molecule.smi (3633/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769862 in molecule.smi (3636/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770479 in molecule.smi (3635/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769833 in molecule.smi (3638/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770978 in molecule.smi (3637/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769576 in molecule.smi (3639/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3771233 in molecule.smi (3640/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770569 in molecule.smi (3642/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769811 in molecule.smi (3641/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770071 in molecule.smi (3644/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3769834 in molecule.smi (3643/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770206 in molecule.smi (3645/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL1801816 in molecule.smi (3646/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770516 in molecule.smi (3648/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770866 in molecule.smi (3647/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL1801815 in molecule.smi (3649/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL1411769 in molecule.smi (3650/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3770356 in molecule.smi (3651/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL1327885 in molecule.smi (3652/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL240047 in molecule.smi (3654/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL239618 in molecule.smi (3653/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL239400 in molecule.smi (3656/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL394753 in molecule.smi (3655/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3781564 in molecule.smi (3658/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL828 in molecule.smi (3657/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3780131 in molecule.smi (3660/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3780448 in molecule.smi (3659/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785861 in molecule.smi (3662/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3787116 in molecule.smi (3661/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3786544 in molecule.smi (3663/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786666 in molecule.smi (3665/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785481 in molecule.smi (3666/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786655 in molecule.smi (3667/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785526 in molecule.smi (3668/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3787666 in molecule.smi (3671/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3786323 in molecule.smi (3675/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3786505 in molecule.smi (3677/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785644 in molecule.smi (3678/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785808 in molecule.smi (3679/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786651 in molecule.smi (3680/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786516 in molecule.smi (3681/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3787502 in molecule.smi (3682/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785269 in molecule.smi (3683/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3787223 in molecule.smi (3684/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786448 in molecule.smi (3685/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786937 in molecule.smi (3686/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785391 in molecule.smi (3687/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3785207 in molecule.smi (3688/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786873 in molecule.smi (3689/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786442 in molecule.smi (3690/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3786719 in molecule.smi (3691/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL3809337 in molecule.smi (3692/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL1929043 in molecule.smi (3693/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL355160 in molecule.smi (3694/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818415 in molecule.smi (3695/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819155 in molecule.smi (3696/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818230 in molecule.smi (3697/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818616 in molecule.smi (3698/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819646 in molecule.smi (3699/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819220 in molecule.smi (3701/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL168938 in molecule.smi (3700/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818084 in molecule.smi (3703/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818167 in molecule.smi (3702/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819531 in molecule.smi (3705/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818801 in molecule.smi (3704/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819574 in molecule.smi (3707/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819113 in molecule.smi (3706/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819247 in molecule.smi (3708/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819024 in molecule.smi (3710/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818918 in molecule.smi (3709/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818374 in molecule.smi (3711/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL524100 in molecule.smi (3712/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1254269 in molecule.smi (3714/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL489354 in molecule.smi (3713/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL535 in molecule.smi (3716/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819036 in molecule.smi (3715/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818089 in molecule.smi (3718/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL477772 in molecule.smi (3717/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819231 in molecule.smi (3720/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818086 in molecule.smi (3719/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818992 in molecule.smi (3722/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819320 in molecule.smi (3721/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819548 in molecule.smi (3724/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3817981 in molecule.smi (3723/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818689 in molecule.smi (3726/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819383 in molecule.smi (3725/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3819083 in molecule.smi (3728/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818512 in molecule.smi (3727/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818990 in molecule.smi (3730/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818332 in molecule.smi (3729/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818250 in molecule.smi (3732/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3818782 in molecule.smi (3731/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3824239 in molecule.smi (3734/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3822559 in molecule.smi (3733/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3823317 in molecule.smi (3735/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3823464 in molecule.smi (3736/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3823538 in molecule.smi (3737/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3822670 in molecule.smi (3738/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3822790 in molecule.smi (3739/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3824057 in molecule.smi (3740/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3824362 in molecule.smi (3741/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3822890 in molecule.smi (3742/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3823578 in molecule.smi (3743/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3823197 in molecule.smi (3744/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3824248 in molecule.smi (3745/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3828259 in molecule.smi (3746/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3827734 in molecule.smi (3747/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3827064 in molecule.smi (3748/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3828631 in molecule.smi (3749/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3827589 in molecule.smi (3750/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3828679 in molecule.smi (3751/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3828028 in molecule.smi (3753/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3827011 in molecule.smi (3752/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3827624 in molecule.smi (3754/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL3828644 in molecule.smi (3759/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL440526 in molecule.smi (3763/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL8706 in molecule.smi (3799/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL1459580 in molecule.smi (3811/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL353468 in molecule.smi (3817/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL354848 in molecule.smi (3819/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL3910513 in molecule.smi (3832/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3891369 in molecule.smi (3833/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3919441 in molecule.smi (3834/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL3944652 in molecule.smi (3837/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4098132 in molecule.smi (3931/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL4100736 in molecule.smi (3940/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL4102562 in molecule.smi (3957/4695). Average speed: 0.31 s/mol.\n",
            "Processing CHEMBL4060687 in molecule.smi (3960/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL4081013 in molecule.smi (3961/4695). Average speed: 0.31 s/mol.\n",
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            "Processing CHEMBL3262251 in molecule.smi (3970/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4078382 in molecule.smi (3973/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4102655 in molecule.smi (3974/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4086248 in molecule.smi (3975/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064773 in molecule.smi (3976/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4061837 in molecule.smi (3977/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083601 in molecule.smi (3978/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091385 in molecule.smi (3980/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070462 in molecule.smi (3979/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4073193 in molecule.smi (3982/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4100046 in molecule.smi (3981/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4096673 in molecule.smi (3983/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4085114 in molecule.smi (3986/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060016 in molecule.smi (3985/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4077088 in molecule.smi (3988/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4098421 in molecule.smi (3987/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1626455 in molecule.smi (3990/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099790 in molecule.smi (3989/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095445 in molecule.smi (3991/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL2337271 in molecule.smi (3992/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL215645 in molecule.smi (3993/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060617 in molecule.smi (3994/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066309 in molecule.smi (3996/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4081795 in molecule.smi (3995/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083174 in molecule.smi (3998/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4093419 in molecule.smi (3997/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL521589 in molecule.smi (3999/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4096024 in molecule.smi (4000/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4098455 in molecule.smi (4001/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099598 in molecule.smi (4002/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4062146 in molecule.smi (4003/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083875 in molecule.smi (4004/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070769 in molecule.smi (4005/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4092602 in molecule.smi (4007/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091651 in molecule.smi (4006/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4100338 in molecule.smi (4009/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064904 in molecule.smi (4008/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4074566 in molecule.smi (4011/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4073501 in molecule.smi (4010/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060800 in molecule.smi (4013/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095032 in molecule.smi (4012/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4085222 in molecule.smi (4014/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4092048 in molecule.smi (4015/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4061527 in molecule.smi (4016/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4081776 in molecule.smi (4017/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099794 in molecule.smi (4018/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4105085 in molecule.smi (4019/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083445 in molecule.smi (4020/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4093567 in molecule.smi (4021/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072865 in molecule.smi (4022/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4101303 in molecule.smi (4023/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095535 in molecule.smi (4025/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4076930 in molecule.smi (4024/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4092123 in molecule.smi (4027/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4068149 in molecule.smi (4026/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064413 in molecule.smi (4028/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099873 in molecule.smi (4029/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072999 in molecule.smi (4030/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4074062 in molecule.smi (4031/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4094591 in molecule.smi (4032/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4084371 in molecule.smi (4033/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4102333 in molecule.smi (4034/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066548 in molecule.smi (4035/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4094081 in molecule.smi (4036/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4081915 in molecule.smi (4037/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060011 in molecule.smi (4038/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4071377 in molecule.smi (4039/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4098418 in molecule.smi (4040/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083306 in molecule.smi (4041/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4077952 in molecule.smi (4042/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4076034 in molecule.smi (4043/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070182 in molecule.smi (4044/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091851 in molecule.smi (4045/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4075061 in molecule.smi (4046/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066365 in molecule.smi (4047/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4097266 in molecule.smi (4049/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4093928 in molecule.smi (4048/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072457 in molecule.smi (4050/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL23838 in molecule.smi (4051/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4089033 in molecule.smi (4053/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060832 in molecule.smi (4052/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4088091 in molecule.smi (4054/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066805 in molecule.smi (4055/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4104459 in molecule.smi (4057/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4080216 in molecule.smi (4056/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4093532 in molecule.smi (4059/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072825 in molecule.smi (4058/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4090159 in molecule.smi (4061/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4069096 in molecule.smi (4060/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4097877 in molecule.smi (4063/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4079853 in molecule.smi (4062/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4098808 in molecule.smi (4064/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4071803 in molecule.smi (4065/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4085482 in molecule.smi (4066/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4082785 in molecule.smi (4067/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4101886 in molecule.smi (4069/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072478 in molecule.smi (4068/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4068410 in molecule.smi (4070/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4090842 in molecule.smi (4072/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095755 in molecule.smi (4071/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4069847 in molecule.smi (4073/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091748 in molecule.smi (4075/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4063984 in molecule.smi (4074/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072579 in molecule.smi (4076/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4068829 in molecule.smi (4078/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099486 in molecule.smi (4077/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4096126 in molecule.smi (4079/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4059560 in molecule.smi (4080/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4081509 in molecule.smi (4081/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4098703 in molecule.smi (4082/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4076580 in molecule.smi (4083/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095035 in molecule.smi (4084/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4073287 in molecule.smi (4085/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099391 in molecule.smi (4086/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4076986 in molecule.smi (4088/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4084842 in molecule.smi (4087/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4082048 in molecule.smi (4090/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4063583 in molecule.smi (4089/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4101018 in molecule.smi (4092/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083039 in molecule.smi (4091/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1340607 in molecule.smi (4094/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070471 in molecule.smi (4093/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1482486 in molecule.smi (4095/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4081932 in molecule.smi (4096/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099934 in molecule.smi (4097/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4071394 in molecule.smi (4098/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1543212 in molecule.smi (4100/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4092186 in molecule.smi (4099/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095547 in molecule.smi (4102/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1416246 in molecule.smi (4101/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4087841 in molecule.smi (4104/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4075136 in molecule.smi (4103/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4079963 in molecule.smi (4106/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1301463 in molecule.smi (4105/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4092142 in molecule.smi (4108/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4104206 in molecule.smi (4107/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064806 in molecule.smi (4110/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL179218 in molecule.smi (4109/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4100253 in molecule.smi (4111/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4073401 in molecule.smi (4112/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1311140 in molecule.smi (4113/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL14577 in molecule.smi (4114/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL451635 in molecule.smi (4115/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4068713 in molecule.smi (4116/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4088294 in molecule.smi (4117/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060058 in molecule.smi (4118/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4080917 in molecule.smi (4119/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4104406 in molecule.smi (4120/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4062826 in molecule.smi (4121/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4100057 in molecule.smi (4122/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4073838 in molecule.smi (4123/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4100639 in molecule.smi (4124/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4065242 in molecule.smi (4125/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4092905 in molecule.smi (4126/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091945 in molecule.smi (4127/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4076907 in molecule.smi (4128/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4084189 in molecule.smi (4129/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4062487 in molecule.smi (4130/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4061404 in molecule.smi (4131/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4089550 in molecule.smi (4132/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4102122 in molecule.smi (4133/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4077866 in molecule.smi (4134/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4085722 in molecule.smi (4136/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064154 in molecule.smi (4135/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4086639 in molecule.smi (4137/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4104534 in molecule.smi (4138/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066891 in molecule.smi (4140/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4094380 in molecule.smi (4139/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4063109 in molecule.smi (4142/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091001 in molecule.smi (4141/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4080800 in molecule.smi (4144/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064304 in molecule.smi (4143/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4094837 in molecule.smi (4145/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4069472 in molecule.smi (4147/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4090498 in molecule.smi (4146/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4080726 in molecule.smi (4149/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4104952 in molecule.smi (4148/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070057 in molecule.smi (4151/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4097249 in molecule.smi (4150/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4096311 in molecule.smi (4153/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4078265 in molecule.smi (4152/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4088594 in molecule.smi (4155/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4067342 in molecule.smi (4154/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091935 in molecule.smi (4157/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4071110 in molecule.smi (4156/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070092 in molecule.smi (4158/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4065259 in molecule.smi (4160/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4077169 in molecule.smi (4159/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4075825 in molecule.smi (4161/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4075624 in molecule.smi (4162/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4074993 in molecule.smi (4164/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4088659 in molecule.smi (4163/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4063635 in molecule.smi (4165/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4083288 in molecule.smi (4166/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066908 in molecule.smi (4167/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4075667 in molecule.smi (4168/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4091683 in molecule.smi (4169/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4069776 in molecule.smi (4170/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4096963 in molecule.smi (4171/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4089264 in molecule.smi (4172/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL887 in molecule.smi (4173/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425895 in molecule.smi (4174/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425894 in molecule.smi (4175/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425893 in molecule.smi (4176/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425889 in molecule.smi (4178/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425892 in molecule.smi (4177/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425881 in molecule.smi (4180/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1303143 in molecule.smi (4179/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425890 in molecule.smi (4182/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425891 in molecule.smi (4181/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1242180 in molecule.smi (4184/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425885 in molecule.smi (4183/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4097284 in molecule.smi (4186/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4061433 in molecule.smi (4185/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4070093 in molecule.smi (4187/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4066392 in molecule.smi (4189/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4093946 in molecule.smi (4188/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4080358 in molecule.smi (4190/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4104589 in molecule.smi (4191/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL597863 in molecule.smi (4192/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4096862 in molecule.smi (4193/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4060972 in molecule.smi (4194/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4089155 in molecule.smi (4195/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099308 in molecule.smi (4196/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4086152 in molecule.smi (4197/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4065910 in molecule.smi (4198/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4093514 in molecule.smi (4199/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4086383 in molecule.smi (4200/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4064920 in molecule.smi (4201/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4078528 in molecule.smi (4202/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4102810 in molecule.smi (4203/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4067639 in molecule.smi (4204/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4095051 in molecule.smi (4205/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4105221 in molecule.smi (4206/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4087364 in molecule.smi (4207/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4072484 in molecule.smi (4208/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4099404 in molecule.smi (4209/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4065374 in molecule.smi (4210/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4086807 in molecule.smi (4211/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL140 in molecule.smi (4212/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL165 in molecule.smi (4213/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3425908 in molecule.smi (4214/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4079599 in molecule.smi (4215/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4071149 in molecule.smi (4216/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4094833 in molecule.smi (4217/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4067388 in molecule.smi (4218/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4102571 in molecule.smi (4219/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4064686 in molecule.smi (4221/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4093947 in molecule.smi (4224/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4081699 in molecule.smi (4226/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4076207 in molecule.smi (4227/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4100407 in molecule.smi (4233/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL511921 in molecule.smi (4236/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4077157 in molecule.smi (4244/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4125708 in molecule.smi (4248/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4127747 in molecule.smi (4250/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4129147 in molecule.smi (4251/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4127071 in molecule.smi (4253/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4130217 in molecule.smi (4254/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4125722 in molecule.smi (4255/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4129007 in molecule.smi (4256/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4126674 in molecule.smi (4261/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4176598 in molecule.smi (4265/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4166300 in molecule.smi (4269/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4174269 in molecule.smi (4270/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1187434 in molecule.smi (4271/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL469638 in molecule.smi (4290/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL586091 in molecule.smi (4291/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL1172893 in molecule.smi (4292/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4163781 in molecule.smi (4295/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4172720 in molecule.smi (4294/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4160790 in molecule.smi (4302/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL462946 in molecule.smi (4307/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL553245 in molecule.smi (4308/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4172401 in molecule.smi (4309/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1171719 in molecule.smi (4310/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4162070 in molecule.smi (4311/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4176125 in molecule.smi (4312/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4165513 in molecule.smi (4313/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4168934 in molecule.smi (4315/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL2314746 in molecule.smi (4314/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL453019 in molecule.smi (4317/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4164418 in molecule.smi (4316/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4173190 in molecule.smi (4318/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL465678 in molecule.smi (4319/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4171637 in molecule.smi (4320/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4163761 in molecule.smi (4321/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4164862 in molecule.smi (4322/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4175494 in molecule.smi (4323/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4160394 in molecule.smi (4325/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4173389 in molecule.smi (4327/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4163678 in molecule.smi (4332/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4175003 in molecule.smi (4333/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4170530 in molecule.smi (4336/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4172950 in molecule.smi (4380/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4170614 in molecule.smi (4379/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4170921 in molecule.smi (4384/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4162993 in molecule.smi (4385/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL3091687 in molecule.smi (4396/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4159074 in molecule.smi (4399/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4177075 in molecule.smi (4400/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4162999 in molecule.smi (4401/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4173704 in molecule.smi (4402/4695). Average speed: 0.30 s/mol.\n",
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            "Processing CHEMBL4161343 in molecule.smi (4405/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4171941 in molecule.smi (4406/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4176452 in molecule.smi (4407/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4168588 in molecule.smi (4408/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4168198 in molecule.smi (4409/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4160280 in molecule.smi (4410/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4164761 in molecule.smi (4411/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4175384 in molecule.smi (4412/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4166257 in molecule.smi (4413/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4176868 in molecule.smi (4414/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4165100 in molecule.smi (4415/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4173000 in molecule.smi (4416/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4168520 in molecule.smi (4417/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4176380 in molecule.smi (4418/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4171284 in molecule.smi (4419/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4163376 in molecule.smi (4420/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4166003 in molecule.smi (4421/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4176610 in molecule.smi (4422/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4171520 in molecule.smi (4423/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4160908 in molecule.smi (4424/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4168179 in molecule.smi (4425/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4176034 in molecule.smi (4426/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4159832 in molecule.smi (4427/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4167753 in molecule.smi (4428/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4174958 in molecule.smi (4429/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4207758 in molecule.smi (4431/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4164310 in molecule.smi (4430/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4207230 in molecule.smi (4432/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4209728 in molecule.smi (4434/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4212110 in molecule.smi (4433/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213792 in molecule.smi (4436/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214643 in molecule.smi (4435/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4218191 in molecule.smi (4438/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4208866 in molecule.smi (4437/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213253 in molecule.smi (4439/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205954 in molecule.smi (4440/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217663 in molecule.smi (4441/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210316 in molecule.smi (4442/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205425 in molecule.smi (4443/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214707 in molecule.smi (4444/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4209803 in molecule.smi (4445/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4209518 in molecule.smi (4446/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214430 in molecule.smi (4447/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205144 in molecule.smi (4448/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210041 in molecule.smi (4449/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4204315 in molecule.smi (4450/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4208641 in molecule.smi (4451/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213042 in molecule.smi (4452/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217466 in molecule.smi (4453/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205764 in molecule.smi (4454/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217755 in molecule.smi (4456/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4206041 in molecule.smi (4455/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205520 in molecule.smi (4458/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210401 in molecule.smi (4457/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213874 in molecule.smi (4459/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4208961 in molecule.smi (4460/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4218281 in molecule.smi (4461/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213345 in molecule.smi (4462/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205110 in molecule.smi (4463/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4216807 in molecule.smi (4464/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4218997 in molecule.smi (4465/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4208392 in molecule.smi (4466/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4207876 in molecule.smi (4467/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214951 in molecule.smi (4468/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4212229 in molecule.smi (4469/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217212 in molecule.smi (4470/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4203538 in molecule.smi (4472/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214755 in molecule.smi (4471/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4216806 in molecule.smi (4474/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4203653 in molecule.smi (4473/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4202749 in molecule.smi (4476/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL3891025 in molecule.smi (4475/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4218829 in molecule.smi (4477/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4207101 in molecule.smi (4478/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205651 in molecule.smi (4479/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210517 in molecule.smi (4480/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214932 in molecule.smi (4482/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210020 in molecule.smi (4481/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4207386 in molecule.smi (4484/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4212275 in molecule.smi (4483/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4212713 in molecule.smi (4486/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217666 in molecule.smi (4485/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217139 in molecule.smi (4488/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205426 in molecule.smi (4487/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4203988 in molecule.smi (4490/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4208869 in molecule.smi (4489/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217746 in molecule.smi (4491/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213147 in molecule.smi (4493/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4208322 in molecule.smi (4492/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4209795 in molecule.smi (4495/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4209420 in molecule.smi (4494/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4216066 in molecule.smi (4496/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4203672 in molecule.smi (4497/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4213591 in molecule.smi (4498/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217346 in molecule.smi (4499/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217660 in molecule.smi (4500/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210729 in molecule.smi (4502/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4215154 in molecule.smi (4501/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4215217 in molecule.smi (4503/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4204901 in molecule.smi (4504/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214900 in molecule.smi (4505/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4206484 in molecule.smi (4506/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4209755 in molecule.smi (4508/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4202784 in molecule.smi (4507/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205374 in molecule.smi (4510/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214668 in molecule.smi (4509/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217617 in molecule.smi (4512/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210274 in molecule.smi (4511/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4205910 in molecule.smi (4513/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4204913 in molecule.smi (4514/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4217126 in molecule.smi (4516/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4216601 in molecule.smi (4515/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL608112 in molecule.smi (4518/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4212151 in molecule.smi (4517/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4216666 in molecule.smi (4519/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL77510 in molecule.smi (4520/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4210949 in molecule.smi (4521/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4214417 in molecule.smi (4522/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL709 in molecule.smi (4523/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1201217 in molecule.smi (4524/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL623 in molecule.smi (4525/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4241840 in molecule.smi (4526/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4243474 in molecule.smi (4527/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4244803 in molecule.smi (4528/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4242359 in molecule.smi (4529/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4240861 in molecule.smi (4530/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4250314 in molecule.smi (4531/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4238512 in molecule.smi (4533/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4238937 in molecule.smi (4532/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4250143 in molecule.smi (4534/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4250287 in molecule.smi (4535/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4246032 in molecule.smi (4536/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4249829 in molecule.smi (4537/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4240365 in molecule.smi (4538/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4244573 in molecule.smi (4539/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4250510 in molecule.smi (4540/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4248378 in molecule.smi (4541/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4241100 in molecule.smi (4542/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4244773 in molecule.smi (4544/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4250950 in molecule.smi (4543/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285818 in molecule.smi (4546/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294109 in molecule.smi (4545/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4277879 in molecule.smi (4547/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282414 in molecule.smi (4548/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293015 in molecule.smi (4549/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283651 in molecule.smi (4550/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278287 in molecule.smi (4551/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285581 in molecule.smi (4552/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293418 in molecule.smi (4553/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4290039 in molecule.smi (4555/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282154 in molecule.smi (4554/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278686 in molecule.smi (4556/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278164 in molecule.smi (4558/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286601 in molecule.smi (4557/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4288850 in molecule.smi (4559/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293305 in molecule.smi (4560/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285481 in molecule.smi (4561/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282502 in molecule.smi (4562/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283621 in molecule.smi (4563/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4289362 in molecule.smi (4564/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287748 in molecule.smi (4565/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293086 in molecule.smi (4567/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283298 in molecule.smi (4566/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4281409 in molecule.smi (4568/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4290877 in molecule.smi (4570/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280241 in molecule.smi (4569/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284047 in molecule.smi (4572/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294640 in molecule.smi (4571/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280612 in molecule.smi (4574/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4281440 in molecule.smi (4573/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283770 in molecule.smi (4575/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4277095 in molecule.smi (4576/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280935 in molecule.smi (4578/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285471 in molecule.smi (4577/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291591 in molecule.smi (4579/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283733 in molecule.smi (4580/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4288571 in molecule.smi (4581/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4281894 in molecule.smi (4582/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4289104 in molecule.smi (4583/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278434 in molecule.smi (4584/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL1383041 in molecule.smi (4585/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292192 in molecule.smi (4586/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4276675 in molecule.smi (4587/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4225157 in molecule.smi (4588/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287962 in molecule.smi (4589/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284580 in molecule.smi (4590/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294389 in molecule.smi (4591/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283814 in molecule.smi (4592/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4279249 in molecule.smi (4593/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283463 in molecule.smi (4594/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294028 in molecule.smi (4595/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286806 in molecule.smi (4596/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278883 in molecule.smi (4597/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285749 in molecule.smi (4598/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294859 in molecule.smi (4599/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284235 in molecule.smi (4600/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286556 in molecule.smi (4601/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294446 in molecule.smi (4602/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283189 in molecule.smi (4603/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293364 in molecule.smi (4605/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291046 in molecule.smi (4604/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4289981 in molecule.smi (4607/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282755 in molecule.smi (4606/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4289908 in molecule.smi (4609/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4279297 in molecule.smi (4608/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287595 in molecule.smi (4611/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282037 in molecule.smi (4610/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285714 in molecule.smi (4613/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292235 in molecule.smi (4612/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285972 in molecule.smi (4615/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293179 in molecule.smi (4614/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284506 in molecule.smi (4617/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278046 in molecule.smi (4616/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4295165 in molecule.smi (4618/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4288000 in molecule.smi (4619/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4277357 in molecule.smi (4620/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291400 in molecule.smi (4621/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280753 in molecule.smi (4622/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4281203 in molecule.smi (4623/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4289086 in molecule.smi (4624/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284619 in molecule.smi (4625/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292499 in molecule.smi (4626/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283139 in molecule.smi (4627/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4290992 in molecule.smi (4628/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4276694 in molecule.smi (4629/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287340 in molecule.smi (4630/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291845 in molecule.smi (4631/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282357 in molecule.smi (4632/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4290236 in molecule.smi (4633/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285759 in molecule.smi (4634/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293626 in molecule.smi (4635/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4289318 in molecule.smi (4636/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293801 in molecule.smi (4637/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285912 in molecule.smi (4638/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4290401 in molecule.smi (4639/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282527 in molecule.smi (4640/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294609 in molecule.smi (4641/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287548 in molecule.smi (4642/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294783 in molecule.smi (4643/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284165 in molecule.smi (4644/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291372 in molecule.smi (4645/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280725 in molecule.smi (4646/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287970 in molecule.smi (4647/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4277332 in molecule.smi (4648/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284591 in molecule.smi (4649/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292477 in molecule.smi (4650/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4277548 in molecule.smi (4651/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291296 in molecule.smi (4653/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285779 in molecule.smi (4652/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294701 in molecule.smi (4655/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283450 in molecule.smi (4654/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286799 in molecule.smi (4656/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284495 in molecule.smi (4657/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4295144 in molecule.smi (4658/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287889 in molecule.smi (4659/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285601 in molecule.smi (4660/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286731 in molecule.smi (4661/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292446 in molecule.smi (4662/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283079 in molecule.smi (4663/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4290940 in molecule.smi (4664/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292399 in molecule.smi (4665/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286677 in molecule.smi (4666/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4294906 in molecule.smi (4667/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4288558 in molecule.smi (4668/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282163 in molecule.smi (4669/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4285213 in molecule.smi (4670/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280224 in molecule.smi (4671/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282360 in molecule.smi (4672/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283986 in molecule.smi (4673/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4288742 in molecule.smi (4675/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4280848 in molecule.smi (4674/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4276921 in molecule.smi (4677/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284261 in molecule.smi (4676/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4287826 in molecule.smi (4679/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292574 in molecule.smi (4678/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4286736 in molecule.smi (4681/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4283390 in molecule.smi (4680/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4288282 in molecule.smi (4683/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4279488 in molecule.smi (4682/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4277644 in molecule.smi (4684/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284895 in molecule.smi (4685/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292766 in molecule.smi (4686/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4295126 in molecule.smi (4687/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4291697 in molecule.smi (4689/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4284475 in molecule.smi (4688/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4293155 in molecule.smi (4691/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4281066 in molecule.smi (4690/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4282558 in molecule.smi (4692/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4281727 in molecule.smi (4693/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4292349 in molecule.smi (4694/4695). Average speed: 0.30 s/mol.\n",
            "Processing CHEMBL4278260 in molecule.smi (4695/4695). Average speed: 0.30 s/mol.\n",
            "Descriptor calculation completed in 23 mins 33.318 secs . Average speed: 0.30 s/mol.\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "! ls -l"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "fn7-SwdSoYV2",
        "outputId": "be130a39-dcbe-4a20-ed1e-4aa99de8dfa7"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "total 34296\n",
            "-rw-r--r-- 1 root root   655414 Nov 23 14:31 acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv\n",
            "-rw-r--r-- 1 root root  8356701 Nov 23 14:59 descriptors_output.csv\n",
            "drwxr-xr-x 3 root root     4096 Nov 23 14:30 __MACOSX\n",
            "-rw-r--r-- 1 root root   310658 Nov 23 14:33 molecule.smi\n",
            "drwxrwxr-x 4 root root     4096 May 30  2020 PaDEL-Descriptor\n",
            "-rw-r--r-- 1 root root      231 Nov 23 14:30 padel.sh\n",
            "-rw-r--r-- 1 root root 25768637 Nov 23 14:30 padel.zip\n",
            "drwxr-xr-x 1 root root     4096 Nov 21 14:24 sample_data\n"
          ]
        }
      ]
    },
    {
      "cell_type": "markdown",
      "source": [],
      "metadata": {
        "id": "r9-L_-0rold9"
      }
    },
    {
      "cell_type": "markdown",
      "source": [
        "Preparing the X and Y Data Matrices\n",
        "\n",
        "\n",
        "X data matrix"
      ],
      "metadata": {
        "id": "qHAJnSm3ohSr"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "df3_X = pd.read_csv('descriptors_output.csv')"
      ],
      "metadata": {
        "id": "Ftl0M8adoiim"
      },
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "source": [
        "df3_X"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 443
        },
        "id": "A8LmW_7LocPU",
        "outputId": "d1990f74-21b8-4ca2-e1ac-b87857694467"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
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              "      <th>4692</th>\n",
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              "        dataTable['output_type'] = 'display_data';\n",
              "        await google.colab.output.renderOutput(dataTable, element);\n",
              "        const docLink = document.createElement('div');\n",
              "        docLink.innerHTML = docLinkHtml;\n",
              "        element.appendChild(docLink);\n",
              "      }\n",
              "    </script>\n",
              "  </div>\n",
              "\n",
              "\n",
              "<div id=\"df-b41a852d-3ca9-4ff5-b712-57c5c5c910d5\">\n",
              "  <button class=\"colab-df-quickchart\" onclick=\"quickchart('df-b41a852d-3ca9-4ff5-b712-57c5c5c910d5')\"\n",
              "            title=\"Suggest charts\"\n",
              "            style=\"display:none;\">\n",
              "\n",
              "<svg xmlns=\"http://www.w3.org/2000/svg\" height=\"24px\"viewBox=\"0 0 24 24\"\n",
              "     width=\"24px\">\n",
              "    <g>\n",
              "        <path d=\"M19 3H5c-1.1 0-2 .9-2 2v14c0 1.1.9 2 2 2h14c1.1 0 2-.9 2-2V5c0-1.1-.9-2-2-2zM9 17H7v-7h2v7zm4 0h-2V7h2v10zm4 0h-2v-4h2v4z\"/>\n",
              "    </g>\n",
              "</svg>\n",
              "  </button>\n",
              "\n",
              "<style>\n",
              "  .colab-df-quickchart {\n",
              "      --bg-color: #E8F0FE;\n",
              "      --fill-color: #1967D2;\n",
              "      --hover-bg-color: #E2EBFA;\n",
              "      --hover-fill-color: #174EA6;\n",
              "      --disabled-fill-color: #AAA;\n",
              "      --disabled-bg-color: #DDD;\n",
              "  }\n",
              "\n",
              "  [theme=dark] .colab-df-quickchart {\n",
              "      --bg-color: #3B4455;\n",
              "      --fill-color: #D2E3FC;\n",
              "      --hover-bg-color: #434B5C;\n",
              "      --hover-fill-color: #FFFFFF;\n",
              "      --disabled-bg-color: #3B4455;\n",
              "      --disabled-fill-color: #666;\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart {\n",
              "    background-color: var(--bg-color);\n",
              "    border: none;\n",
              "    border-radius: 50%;\n",
              "    cursor: pointer;\n",
              "    display: none;\n",
              "    fill: var(--fill-color);\n",
              "    height: 32px;\n",
              "    padding: 0;\n",
              "    width: 32px;\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart:hover {\n",
              "    background-color: var(--hover-bg-color);\n",
              "    box-shadow: 0 1px 2px rgba(60, 64, 67, 0.3), 0 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
              "    fill: var(--button-hover-fill-color);\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart-complete:disabled,\n",
              "  .colab-df-quickchart-complete:disabled:hover {\n",
              "    background-color: var(--disabled-bg-color);\n",
              "    fill: var(--disabled-fill-color);\n",
              "    box-shadow: none;\n",
              "  }\n",
              "\n",
              "  .colab-df-spinner {\n",
              "    border: 2px solid var(--fill-color);\n",
              "    border-color: transparent;\n",
              "    border-bottom-color: var(--fill-color);\n",
              "    animation:\n",
              "      spin 1s steps(1) infinite;\n",
              "  }\n",
              "\n",
              "  @keyframes spin {\n",
              "    0% {\n",
              "      border-color: transparent;\n",
              "      border-bottom-color: var(--fill-color);\n",
              "      border-left-color: var(--fill-color);\n",
              "    }\n",
              "    20% {\n",
              "      border-color: transparent;\n",
              "      border-left-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "    }\n",
              "    30% {\n",
              "      border-color: transparent;\n",
              "      border-left-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "      border-right-color: var(--fill-color);\n",
              "    }\n",
              "    40% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "    }\n",
              "    60% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "    }\n",
              "    80% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "      border-bottom-color: var(--fill-color);\n",
              "    }\n",
              "    90% {\n",
              "      border-color: transparent;\n",
              "      border-bottom-color: var(--fill-color);\n",
              "    }\n",
              "  }\n",
              "</style>\n",
              "\n",
              "  <script>\n",
              "    async function quickchart(key) {\n",
              "      const quickchartButtonEl =\n",
              "        document.querySelector('#' + key + ' button');\n",
              "      quickchartButtonEl.disabled = true;  // To prevent multiple clicks.\n",
              "      quickchartButtonEl.classList.add('colab-df-spinner');\n",
              "      try {\n",
              "        const charts = await google.colab.kernel.invokeFunction(\n",
              "            'suggestCharts', [key], {});\n",
              "      } catch (error) {\n",
              "        console.error('Error during call to suggestCharts:', error);\n",
              "      }\n",
              "      quickchartButtonEl.classList.remove('colab-df-spinner');\n",
              "      quickchartButtonEl.classList.add('colab-df-quickchart-complete');\n",
              "    }\n",
              "    (() => {\n",
              "      let quickchartButtonEl =\n",
              "        document.querySelector('#df-b41a852d-3ca9-4ff5-b712-57c5c5c910d5 button');\n",
              "      quickchartButtonEl.style.display =\n",
              "        google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "    })();\n",
              "  </script>\n",
              "</div>\n",
              "    </div>\n",
              "  </div>\n"
            ]
          },
          "metadata": {},
          "execution_count": 14
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "df3_X = df3_X.drop(columns=['Name'])\n",
        "df3_X"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 443
        },
        "id": "fp4Dcd-FsiGx",
        "outputId": "1f72565d-29ad-4743-ed6c-57aebf4546d9"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "      PubchemFP0  PubchemFP1  PubchemFP2  PubchemFP3  PubchemFP4  PubchemFP5  \\\n",
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              "\n",
              "      PubchemFP6  PubchemFP7  PubchemFP8  PubchemFP9  ...  PubchemFP871  \\\n",
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              "\n",
              "      PubchemFP872  PubchemFP873  PubchemFP874  PubchemFP875  PubchemFP876  \\\n",
              "0                0             0             0             0             0   \n",
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              "\n",
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              "      background-color: #E8F0FE;\n",
              "      border: none;\n",
              "      border-radius: 50%;\n",
              "      cursor: pointer;\n",
              "      display: none;\n",
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              "      height: 32px;\n",
              "      padding: 0 0 0 0;\n",
              "      width: 32px;\n",
              "    }\n",
              "\n",
              "    .colab-df-convert:hover {\n",
              "      background-color: #E2EBFA;\n",
              "      box-shadow: 0px 1px 2px rgba(60, 64, 67, 0.3), 0px 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
              "      fill: #174EA6;\n",
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              "\n",
              "    .colab-df-buttons div {\n",
              "      margin-bottom: 4px;\n",
              "    }\n",
              "\n",
              "    [theme=dark] .colab-df-convert {\n",
              "      background-color: #3B4455;\n",
              "      fill: #D2E3FC;\n",
              "    }\n",
              "\n",
              "    [theme=dark] .colab-df-convert:hover {\n",
              "      background-color: #434B5C;\n",
              "      box-shadow: 0px 1px 3px 1px rgba(0, 0, 0, 0.15);\n",
              "      filter: drop-shadow(0px 1px 2px rgba(0, 0, 0, 0.3));\n",
              "      fill: #FFFFFF;\n",
              "    }\n",
              "  </style>\n",
              "\n",
              "    <script>\n",
              "      const buttonEl =\n",
              "        document.querySelector('#df-6efb5a44-96c0-4d18-9302-a2db23004a56 button.colab-df-convert');\n",
              "      buttonEl.style.display =\n",
              "        google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "\n",
              "      async function convertToInteractive(key) {\n",
              "        const element = document.querySelector('#df-6efb5a44-96c0-4d18-9302-a2db23004a56');\n",
              "        const dataTable =\n",
              "          await google.colab.kernel.invokeFunction('convertToInteractive',\n",
              "                                                    [key], {});\n",
              "        if (!dataTable) return;\n",
              "\n",
              "        const docLinkHtml = 'Like what you see? Visit the ' +\n",
              "          '<a target=\"_blank\" href=https://colab.research.google.com/notebooks/data_table.ipynb>data table notebook</a>'\n",
              "          + ' to learn more about interactive tables.';\n",
              "        element.innerHTML = '';\n",
              "        dataTable['output_type'] = 'display_data';\n",
              "        await google.colab.output.renderOutput(dataTable, element);\n",
              "        const docLink = document.createElement('div');\n",
              "        docLink.innerHTML = docLinkHtml;\n",
              "        element.appendChild(docLink);\n",
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              "\n",
              "\n",
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              "    </g>\n",
              "</svg>\n",
              "  </button>\n",
              "\n",
              "<style>\n",
              "  .colab-df-quickchart {\n",
              "      --bg-color: #E8F0FE;\n",
              "      --fill-color: #1967D2;\n",
              "      --hover-bg-color: #E2EBFA;\n",
              "      --hover-fill-color: #174EA6;\n",
              "      --disabled-fill-color: #AAA;\n",
              "      --disabled-bg-color: #DDD;\n",
              "  }\n",
              "\n",
              "  [theme=dark] .colab-df-quickchart {\n",
              "      --bg-color: #3B4455;\n",
              "      --fill-color: #D2E3FC;\n",
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              "      --disabled-bg-color: #3B4455;\n",
              "      --disabled-fill-color: #666;\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart {\n",
              "    background-color: var(--bg-color);\n",
              "    border: none;\n",
              "    border-radius: 50%;\n",
              "    cursor: pointer;\n",
              "    display: none;\n",
              "    fill: var(--fill-color);\n",
              "    height: 32px;\n",
              "    padding: 0;\n",
              "    width: 32px;\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart:hover {\n",
              "    background-color: var(--hover-bg-color);\n",
              "    box-shadow: 0 1px 2px rgba(60, 64, 67, 0.3), 0 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
              "    fill: var(--button-hover-fill-color);\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart-complete:disabled,\n",
              "  .colab-df-quickchart-complete:disabled:hover {\n",
              "    background-color: var(--disabled-bg-color);\n",
              "    fill: var(--disabled-fill-color);\n",
              "    box-shadow: none;\n",
              "  }\n",
              "\n",
              "  .colab-df-spinner {\n",
              "    border: 2px solid var(--fill-color);\n",
              "    border-color: transparent;\n",
              "    border-bottom-color: var(--fill-color);\n",
              "    animation:\n",
              "      spin 1s steps(1) infinite;\n",
              "  }\n",
              "\n",
              "  @keyframes spin {\n",
              "    0% {\n",
              "      border-color: transparent;\n",
              "      border-bottom-color: var(--fill-color);\n",
              "      border-left-color: var(--fill-color);\n",
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              "    20% {\n",
              "      border-color: transparent;\n",
              "      border-left-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
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              "    30% {\n",
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              "      border-left-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "      border-right-color: var(--fill-color);\n",
              "    }\n",
              "    40% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "    }\n",
              "    60% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "    }\n",
              "    80% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "      border-bottom-color: var(--fill-color);\n",
              "    }\n",
              "    90% {\n",
              "      border-color: transparent;\n",
              "      border-bottom-color: var(--fill-color);\n",
              "    }\n",
              "  }\n",
              "</style>\n",
              "\n",
              "  <script>\n",
              "    async function quickchart(key) {\n",
              "      const quickchartButtonEl =\n",
              "        document.querySelector('#' + key + ' button');\n",
              "      quickchartButtonEl.disabled = true;  // To prevent multiple clicks.\n",
              "      quickchartButtonEl.classList.add('colab-df-spinner');\n",
              "      try {\n",
              "        const charts = await google.colab.kernel.invokeFunction(\n",
              "            'suggestCharts', [key], {});\n",
              "      } catch (error) {\n",
              "        console.error('Error during call to suggestCharts:', error);\n",
              "      }\n",
              "      quickchartButtonEl.classList.remove('colab-df-spinner');\n",
              "      quickchartButtonEl.classList.add('colab-df-quickchart-complete');\n",
              "    }\n",
              "    (() => {\n",
              "      let quickchartButtonEl =\n",
              "        document.querySelector('#df-89216f04-c9b3-40ba-aab1-cd0cda5691c3 button');\n",
              "      quickchartButtonEl.style.display =\n",
              "        google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "    })();\n",
              "  </script>\n",
              "</div>\n",
              "    </div>\n",
              "  </div>\n"
            ]
          },
          "metadata": {},
          "execution_count": 15
        }
      ]
    },
    {
      "cell_type": "markdown",
      "source": [
        "Y variable\n",
        "\n",
        "\n",
        "Convert IC50 to pIC50"
      ],
      "metadata": {
        "id": "ztG9naaFstnL"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "df3_Y = df3['pIC50']\n",
        "df3_Y"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "rYazscLfso3o",
        "outputId": "f156d522-b7df-4cfd-b1d3-ee8247470f3f"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "0       6.124939\n",
              "1       7.000000\n",
              "2       4.301030\n",
              "3       6.522879\n",
              "4       6.096910\n",
              "          ...   \n",
              "4690    5.612610\n",
              "4691    5.595166\n",
              "4692    5.419075\n",
              "4693    5.460924\n",
              "4694    5.555955\n",
              "Name: pIC50, Length: 4695, dtype: float64"
            ]
          },
          "metadata": {},
          "execution_count": 16
        }
      ]
    },
    {
      "cell_type": "markdown",
      "source": [
        "Combining X and Y variable"
      ],
      "metadata": {
        "id": "wkmMr2Wms8lI"
      }
    },
    {
      "cell_type": "code",
      "source": [
        "dataset3 = pd.concat([df3_X,df3_Y], axis=1)\n",
        "dataset3"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 443
        },
        "id": "hjn6R_rrs1Hj",
        "outputId": "12fcbfe3-6f06-4838-cfc1-66731c67b732"
      },
      "execution_count": null,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "      PubchemFP0  PubchemFP1  PubchemFP2  PubchemFP3  PubchemFP4  PubchemFP5  \\\n",
              "0              1           1           1           0           0           0   \n",
              "1              1           1           1           0           0           0   \n",
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              "4              1           1           0           0           0           0   \n",
              "...          ...         ...         ...         ...         ...         ...   \n",
              "4690           1           1           1           1           0           0   \n",
              "4691           1           1           1           1           0           0   \n",
              "4692           1           1           1           1           0           0   \n",
              "4693           1           1           1           1           0           0   \n",
              "4694           1           1           1           1           0           0   \n",
              "\n",
              "      PubchemFP6  PubchemFP7  PubchemFP8  PubchemFP9  ...  PubchemFP872  \\\n",
              "0              0           0           0           1  ...             0   \n",
              "1              0           0           0           1  ...             0   \n",
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              "4              0           0           0           1  ...             0   \n",
              "...          ...         ...         ...         ...  ...           ...   \n",
              "4690           0           0           0           1  ...             0   \n",
              "4691           0           0           0           1  ...             0   \n",
              "4692           0           0           0           1  ...             0   \n",
              "4693           0           0           0           1  ...             0   \n",
              "4694           0           0           0           1  ...             0   \n",
              "\n",
              "      PubchemFP873  PubchemFP874  PubchemFP875  PubchemFP876  PubchemFP877  \\\n",
              "0                0             0             0             0             0   \n",
              "1                0             0             0             0             0   \n",
              "2                0             0             0             0             0   \n",
              "3                0             0             0             0             0   \n",
              "4                0             0             0             0             0   \n",
              "...            ...           ...           ...           ...           ...   \n",
              "4690             0             0             0             0             0   \n",
              "4691             0             0             0             0             0   \n",
              "4692             0             0             0             0             0   \n",
              "4693             0             0             0             0             0   \n",
              "4694             0             0             0             0             0   \n",
              "\n",
              "      PubchemFP878  PubchemFP879  PubchemFP880     pIC50  \n",
              "0                0             0             0  6.124939  \n",
              "1                0             0             0  7.000000  \n",
              "2                0             0             0  4.301030  \n",
              "3                0             0             0  6.522879  \n",
              "4                0             0             0  6.096910  \n",
              "...            ...           ...           ...       ...  \n",
              "4690             0             0             0  5.612610  \n",
              "4691             0             0             0  5.595166  \n",
              "4692             0             0             0  5.419075  \n",
              "4693             0             0             0  5.460924  \n",
              "4694             0             0             0  5.555955  \n",
              "\n",
              "[4695 rows x 882 columns]"
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              "      <td>0</td>\n",
              "      <td>5.595166</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4692</th>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>1</td>\n",
              "      <td>...</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>5.419075</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4693</th>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>1</td>\n",
              "      <td>...</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>5.460924</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4694</th>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>1</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>1</td>\n",
              "      <td>...</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>0</td>\n",
              "      <td>5.555955</td>\n",
              "    </tr>\n",
              "  </tbody>\n",
              "</table>\n",
              "<p>4695 rows × 882 columns</p>\n",
              "</div>\n",
              "    <div class=\"colab-df-buttons\">\n",
              "\n",
              "  <div class=\"colab-df-container\">\n",
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              "            title=\"Convert this dataframe to an interactive table.\"\n",
              "            style=\"display:none;\">\n",
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              "\n",
              "  <style>\n",
              "    .colab-df-container {\n",
              "      display:flex;\n",
              "      gap: 12px;\n",
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              "\n",
              "    .colab-df-convert {\n",
              "      background-color: #E8F0FE;\n",
              "      border: none;\n",
              "      border-radius: 50%;\n",
              "      cursor: pointer;\n",
              "      display: none;\n",
              "      fill: #1967D2;\n",
              "      height: 32px;\n",
              "      padding: 0 0 0 0;\n",
              "      width: 32px;\n",
              "    }\n",
              "\n",
              "    .colab-df-convert:hover {\n",
              "      background-color: #E2EBFA;\n",
              "      box-shadow: 0px 1px 2px rgba(60, 64, 67, 0.3), 0px 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
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              "    }\n",
              "\n",
              "    .colab-df-buttons div {\n",
              "      margin-bottom: 4px;\n",
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              "\n",
              "    [theme=dark] .colab-df-convert {\n",
              "      background-color: #3B4455;\n",
              "      fill: #D2E3FC;\n",
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              "\n",
              "    [theme=dark] .colab-df-convert:hover {\n",
              "      background-color: #434B5C;\n",
              "      box-shadow: 0px 1px 3px 1px rgba(0, 0, 0, 0.15);\n",
              "      filter: drop-shadow(0px 1px 2px rgba(0, 0, 0, 0.3));\n",
              "      fill: #FFFFFF;\n",
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              "  </style>\n",
              "\n",
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              "      const buttonEl =\n",
              "        document.querySelector('#df-0b6c4842-8a92-4553-ae5a-a03487dcac2e button.colab-df-convert');\n",
              "      buttonEl.style.display =\n",
              "        google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "\n",
              "      async function convertToInteractive(key) {\n",
              "        const element = document.querySelector('#df-0b6c4842-8a92-4553-ae5a-a03487dcac2e');\n",
              "        const dataTable =\n",
              "          await google.colab.kernel.invokeFunction('convertToInteractive',\n",
              "                                                    [key], {});\n",
              "        if (!dataTable) return;\n",
              "\n",
              "        const docLinkHtml = 'Like what you see? Visit the ' +\n",
              "          '<a target=\"_blank\" href=https://colab.research.google.com/notebooks/data_table.ipynb>data table notebook</a>'\n",
              "          + ' to learn more about interactive tables.';\n",
              "        element.innerHTML = '';\n",
              "        dataTable['output_type'] = 'display_data';\n",
              "        await google.colab.output.renderOutput(dataTable, element);\n",
              "        const docLink = document.createElement('div');\n",
              "        docLink.innerHTML = docLinkHtml;\n",
              "        element.appendChild(docLink);\n",
              "      }\n",
              "    </script>\n",
              "  </div>\n",
              "\n",
              "\n",
              "<div id=\"df-d9c091fc-5d6a-4af3-8181-13f348fd08fc\">\n",
              "  <button class=\"colab-df-quickchart\" onclick=\"quickchart('df-d9c091fc-5d6a-4af3-8181-13f348fd08fc')\"\n",
              "            title=\"Suggest charts\"\n",
              "            style=\"display:none;\">\n",
              "\n",
              "<svg xmlns=\"http://www.w3.org/2000/svg\" height=\"24px\"viewBox=\"0 0 24 24\"\n",
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              "    </g>\n",
              "</svg>\n",
              "  </button>\n",
              "\n",
              "<style>\n",
              "  .colab-df-quickchart {\n",
              "      --bg-color: #E8F0FE;\n",
              "      --fill-color: #1967D2;\n",
              "      --hover-bg-color: #E2EBFA;\n",
              "      --hover-fill-color: #174EA6;\n",
              "      --disabled-fill-color: #AAA;\n",
              "      --disabled-bg-color: #DDD;\n",
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              "\n",
              "  [theme=dark] .colab-df-quickchart {\n",
              "      --bg-color: #3B4455;\n",
              "      --fill-color: #D2E3FC;\n",
              "      --hover-bg-color: #434B5C;\n",
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              "\n",
              "  .colab-df-quickchart {\n",
              "    background-color: var(--bg-color);\n",
              "    border: none;\n",
              "    border-radius: 50%;\n",
              "    cursor: pointer;\n",
              "    display: none;\n",
              "    fill: var(--fill-color);\n",
              "    height: 32px;\n",
              "    padding: 0;\n",
              "    width: 32px;\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart:hover {\n",
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              "    box-shadow: 0 1px 2px rgba(60, 64, 67, 0.3), 0 1px 3px 1px rgba(60, 64, 67, 0.15);\n",
              "    fill: var(--button-hover-fill-color);\n",
              "  }\n",
              "\n",
              "  .colab-df-quickchart-complete:disabled,\n",
              "  .colab-df-quickchart-complete:disabled:hover {\n",
              "    background-color: var(--disabled-bg-color);\n",
              "    fill: var(--disabled-fill-color);\n",
              "    box-shadow: none;\n",
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              "\n",
              "  .colab-df-spinner {\n",
              "    border: 2px solid var(--fill-color);\n",
              "    border-color: transparent;\n",
              "    border-bottom-color: var(--fill-color);\n",
              "    animation:\n",
              "      spin 1s steps(1) infinite;\n",
              "  }\n",
              "\n",
              "  @keyframes spin {\n",
              "    0% {\n",
              "      border-color: transparent;\n",
              "      border-bottom-color: var(--fill-color);\n",
              "      border-left-color: var(--fill-color);\n",
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              "    20% {\n",
              "      border-color: transparent;\n",
              "      border-left-color: var(--fill-color);\n",
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              "    30% {\n",
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              "      border-left-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "      border-right-color: var(--fill-color);\n",
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              "    40% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "      border-top-color: var(--fill-color);\n",
              "    }\n",
              "    60% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "    }\n",
              "    80% {\n",
              "      border-color: transparent;\n",
              "      border-right-color: var(--fill-color);\n",
              "      border-bottom-color: var(--fill-color);\n",
              "    }\n",
              "    90% {\n",
              "      border-color: transparent;\n",
              "      border-bottom-color: var(--fill-color);\n",
              "    }\n",
              "  }\n",
              "</style>\n",
              "\n",
              "  <script>\n",
              "    async function quickchart(key) {\n",
              "      const quickchartButtonEl =\n",
              "        document.querySelector('#' + key + ' button');\n",
              "      quickchartButtonEl.disabled = true;  // To prevent multiple clicks.\n",
              "      quickchartButtonEl.classList.add('colab-df-spinner');\n",
              "      try {\n",
              "        const charts = await google.colab.kernel.invokeFunction(\n",
              "            'suggestCharts', [key], {});\n",
              "      } catch (error) {\n",
              "        console.error('Error during call to suggestCharts:', error);\n",
              "      }\n",
              "      quickchartButtonEl.classList.remove('colab-df-spinner');\n",
              "      quickchartButtonEl.classList.add('colab-df-quickchart-complete');\n",
              "    }\n",
              "    (() => {\n",
              "      let quickchartButtonEl =\n",
              "        document.querySelector('#df-d9c091fc-5d6a-4af3-8181-13f348fd08fc button');\n",
              "      quickchartButtonEl.style.display =\n",
              "        google.colab.kernel.accessAllowed ? 'block' : 'none';\n",
              "    })();\n",
              "  </script>\n",
              "</div>\n",
              "    </div>\n",
              "  </div>\n"
            ]
          },
          "metadata": {},
          "execution_count": 17
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "dataset3.to_csv('acetylcholinesterase_06_bioactivity_data_3class_pIC50_pubchem_fp.csv', index=False)"
      ],
      "metadata": {
        "id": "vNMj-VbntChS"
      },
      "execution_count": null,
      "outputs": []
    }
  ]
}