black and white molecules in jupyter.ipynb

black and white molecules in jupyter.ipynb

{
  "cells": [
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "from rdkit import Chem\nfrom rdkit.Chem import Draw\nfrom rdkit.Chem.Draw import IPythonConsole\nimport rdkit\nrdkit.__version__",
      "execution_count": 1,
      "outputs": [
        {
          "name": "stderr",
          "output_type": "stream",
          "text": "RDKit WARNING: [17:06:15] Enabling RDKit 2019.09.1 jupyter extensions\n"
        },
        {
          "data": {
            "text/plain": "'2019.09.1'"
          },
          "execution_count": 1,
          "metadata": {},
          "output_type": "execute_result"
        }
      ]
    },
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "ms = [Chem.MolFromSmiles(x) for x in ('Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12','CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.[Na]')]",
      "execution_count": 2,
      "outputs": []
    },
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "Draw.MolsToGridImage(ms)",
      "execution_count": 3,
      "outputs": [
        {
          "data": {
            "image/png": 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\n",
            "text/plain": "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=600x200 at 0x7F66C84C8F28>"
          },
          "execution_count": 3,
          "metadata": {},
          "output_type": "execute_result"
        }
      ]
    },
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "IPythonConsole.drawOptions.useBWAtomPalette()\nDraw.MolsToGridImage(ms)",
      "execution_count": 4,
      "outputs": [
        {
          "data": {
            "image/png": 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\n",
            "text/plain": "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=600x200 at 0x7F6699DC8780>"
          },
          "execution_count": 4,
          "metadata": {},
          "output_type": "execute_result"
        }
      ]
    },
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "from IPython.display import SVG\nd2d = Draw.MolDraw2DSVG(450,400)\nDraw.PrepareAndDrawMolecule(d2d,ms[1])\nd2d.FinishDrawing()\nSVG(d2d.GetDrawingText())",
      "execution_count": 10,
      "outputs": [
        {
          "data": {
            "image/svg+xml": "<svg baseProfile=\"full\" height=\"400px\" version=\"1.1\" viewBox=\"0 0 450 400\" width=\"450px\" xml:space=\"preserve\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n<!-- END OF HEADER -->\n<rect height=\"400\" style=\"opacity:1.0;fill:#FFFFFF;stroke:none\" width=\"450\" x=\"0\" y=\"0\"> </rect>\n<path class=\"bond-0\" d=\"M 135.644,316.683 L 123.04,272.455\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-1\" d=\"M 123.04,272.455 L 80.3721,289.612\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-2\" d=\"M 123.04,272.455 L 142.623,269.035\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-2\" d=\"M 142.623,269.035 L 162.206,265.615\" style=\"fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-22\" d=\"M 123.04,272.455 L 101.517,231.814\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-3\" d=\"M 169.434,256.879 L 172.126,237.946\" style=\"fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-3\" d=\"M 172.126,237.946 L 174.819,219.013\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-4\" d=\"M 174.819,219.013 L 195.047,177.712\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-23\" d=\"M 174.819,219.013 L 157.49,210.526\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-23\" d=\"M 157.49,210.526 L 140.161,202.039\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-5\" d=\"M 195.047,177.712 L 210.157,172.537\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-5\" d=\"M 210.157,172.537 L 225.268,167.362\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-15\" d=\"M 195.047,177.712 L 153.746,157.484\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-6\" d=\"M 247.343,170.476 L 260.278,181.758\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-6\" d=\"M 260.278,181.758 L 273.213,193.04\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-7\" d=\"M 268.7,192.155 L 265.027,210.887\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-7\" d=\"M 265.027,210.887 L 261.354,229.619\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-7\" d=\"M 277.726,193.925 L 274.053,212.657\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-7\" d=\"M 274.053,212.657 L 270.38,231.389\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-8\" d=\"M 273.213,193.04 L 316.721,178.139\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-9\" d=\"M 316.721,178.139 L 351.379,208.367\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-10\" d=\"M 351.379,208.367 L 342.53,253.496\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-10\" d=\"M 359.078,216.906 L 352.883,248.497\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-24\" d=\"M 351.379,208.367 L 394.887,193.466\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-11\" d=\"M 342.53,253.496 L 377.188,283.725\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-12\" d=\"M 377.188,283.725 L 420.696,268.824\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-12\" d=\"M 380.734,272.788 L 411.19,262.357\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-13\" d=\"M 420.696,268.824 L 429.545,223.695\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-14\" d=\"M 429.545,223.695 L 394.887,193.466\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-14\" d=\"M 418.301,226.092 L 394.04,204.932\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-16\" d=\"M 158.097,155.994 L 151.959,138.072\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-16\" d=\"M 151.959,138.072 L 145.821,120.151\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-16\" d=\"M 149.395,158.974 L 143.257,141.053\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-16\" d=\"M 143.257,141.053 L 137.119,123.131\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-17\" d=\"M 153.746,157.484 L 145.509,174.302\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-17\" d=\"M 145.509,174.302 L 137.272,191.12\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-18\" d=\"M 126.874,205.642 L 114.196,218.728\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-18\" d=\"M 114.196,218.728 L 101.517,231.814\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-19\" d=\"M 101.517,231.814 L 55.9863,225.339\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-20\" d=\"M 52.367,222.501 L 41.1849,236.765\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-20\" d=\"M 41.1849,236.765 L 30.0027,251.029\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-20\" d=\"M 59.6056,228.176 L 48.4235,242.44\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-20\" d=\"M 48.4235,242.44 L 37.2413,256.704\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-21\" d=\"M 55.9863,225.339 L 48.9487,207.837\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-21\" d=\"M 48.9487,207.837 L 41.911,190.335\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#CCCC00\" x=\"162.206\" y=\"272.208\"><tspan>S</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"225.268\" y=\"170.476\"><tspan>NH</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"257.205\" y=\"245.834\"><tspan>O</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"131.686\" y=\"121.641\"><tspan>O</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"126.874\" y=\"206.45\"><tspan>N</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"20.4545\" y=\"269.196\"><tspan>O</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"25.0268\" y=\"190.335\"><tspan>OH</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"202.867\" y=\"90.9818\"><tspan>Na</tspan></text>\n</svg>",
            "text/plain": "<IPython.core.display.SVG object>"
          },
          "execution_count": 10,
          "metadata": {},
          "output_type": "execute_result"
        }
      ]
    },
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "from IPython.display import SVG\nd2d = Draw.MolDraw2DSVG(450,400)\nd2d.drawOptions().useBWAtomPalette()\nDraw.PrepareAndDrawMolecule(d2d,ms[1])\nd2d.FinishDrawing()\nSVG(d2d.GetDrawingText())",
      "execution_count": 11,
      "outputs": [
        {
          "data": {
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style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-15\" d=\"M 195.047,177.712 L 153.746,157.484\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-6\" d=\"M 247.343,170.476 L 273.213,193.04\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-7\" d=\"M 268.7,192.155 L 261.354,229.619\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-7\" d=\"M 277.726,193.925 L 270.38,231.389\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-8\" d=\"M 273.213,193.04 L 316.721,178.139\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-9\" d=\"M 316.721,178.139 L 351.379,208.367\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-10\" d=\"M 351.379,208.367 L 342.53,253.496\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-10\" d=\"M 359.078,216.906 L 352.883,248.497\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-24\" d=\"M 351.379,208.367 L 394.887,193.466\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-11\" d=\"M 342.53,253.496 L 377.188,283.725\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-12\" d=\"M 377.188,283.725 L 420.696,268.824\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-12\" d=\"M 380.734,272.788 L 411.19,262.357\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-13\" d=\"M 420.696,268.824 L 429.545,223.695\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-14\" d=\"M 429.545,223.695 L 394.887,193.466\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-14\" d=\"M 418.301,226.092 L 394.04,204.932\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-16\" d=\"M 158.097,155.994 L 145.821,120.151\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-16\" d=\"M 149.395,158.974 L 137.119,123.131\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-17\" d=\"M 153.746,157.484 L 137.272,191.12\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-18\" d=\"M 126.874,205.642 L 101.517,231.814\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-19\" d=\"M 101.517,231.814 L 55.9863,225.339\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-20\" d=\"M 52.367,222.501 L 30.0027,251.029\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-20\" d=\"M 59.6056,228.176 L 37.2413,256.704\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<path class=\"bond-21\" d=\"M 55.9863,225.339 L 41.911,190.335\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"162.206\" y=\"272.208\"><tspan>S</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"225.268\" y=\"170.476\"><tspan>NH</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"257.205\" y=\"245.834\"><tspan>O</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"131.686\" y=\"121.641\"><tspan>O</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"126.874\" y=\"206.45\"><tspan>N</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"20.4545\" y=\"269.196\"><tspan>O</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"25.0268\" y=\"190.335\"><tspan>OH</tspan></text>\n<text style=\"font-size:15px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"202.867\" y=\"90.9818\"><tspan>Na</tspan></text>\n</svg>",
            "text/plain": "<IPython.core.display.SVG object>"
          },
          "execution_count": 11,
          "metadata": {},
          "output_type": "execute_result"
        }
      ]
    },
    {
      "metadata": {
        "trusted": true
      },
      "cell_type": "code",
      "source": "",
      "execution_count": null,
      "outputs": []
    }
  ],
  "metadata": {
    "kernelspec": {
      "name": "python3",
      "display_name": "Python 3",
      "language": "python"
    },
    "language_info": {
      "name": "python",
      "version": "3.7.5",
      "mimetype": "text/x-python",
      "codemirror_mode": {
        "name": "ipython",
        "version": 3
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      "pygments_lexer": "ipython3",
      "nbconvert_exporter": "python",
      "file_extension": ".py"
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    "gist": {
      "id": "",
      "data": {
        "description": "black and white molecules in jupyter.ipynb",
        "public": true
      }
    }
  },
  "nbformat": 4,
  "nbformat_minor": 2
}