opendatalab/MolRecBench-Wild · Datasets at Hugging Face

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10.1039_d5sc03824c_3_figure_1_mol_5.jpg	[ "Polluted Information", "Blurry Image", "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Dashed Bond", "Decorated Bond", "Polluted Boundary", "Additional Arrow, Box, Text", "Decorated Text" ]	[ "[Rα]", "N", "C", "C", "C", "O", "N", "[Rβ]", "C", "O", "O" ]	[ null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null ]	[ [ 12.4169, -9.5137 ], [ 13.283, -10.0137 ], [ 14.149, -9.5137 ], [ 14.149, -8.5137 ], [ 15.015, -8.0137 ], [ 15.015, -7.0137 ], [ 15.881, -8.5137 ], [ 16.747101, -8.0137 ], [ 15.015, -10.0137 ], [ 15.015,...	[ [ 0, 1, 7 ], [ 1, 2, 1 ], [ 2, 3, 6 ], [ 2, 8, 1 ], [ 3, 4, 1 ], [ 4, 5, 2 ], [ 4, 6, 1 ], [ 6, 7, 7 ], [ 8, 9, 2 ], [ 8, 10, 1 ] ]	[]	Chemical Science
10.1039_d5sc03824c_5_figure_0_mol_2.jpg	[ "Polluted Information", "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group", "Special Atom/Ion/Functional Group Format", "Charge Symbol", "Polluted Boundary", "Decorated Bond", "Decorated Text" ]	[ "[H3N]", "C", "C", "C", "C", "O", "O", "C", "C", "C", "C", "O", "C", "C", "C", "C", "N", "[tide]", "C", "O", "C", "[Pep]", "C", "C", "O", "O" ]	[ 1, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 3.8953, -8.3134 ], [ 4.7613, -7.8134 ], [ 5.6274, -8.3134 ], [ 6.4934, -7.8134 ], [ 7.3594, -8.3134 ], [ 8.2254, -7.8134 ], [ 7.3594, -9.3134 ], [ 8.2254, -9.8134 ], [ 9.0915, -9.3134 ], [ 9.9575, -...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 4, 5, 2 ], [ 4, 6, 1 ], [ 6, 7, 1 ], [ 7, 8, 2 ], [ 7, 14, 1 ], [ 8, 9, 1 ], [ 9, 10, 2 ...	[]	Chemical Science
10.1039_d5sc03944d_2_figure_0_mol_8.jpg	[ "Blurry Image", "Special Bond", "Equal-width Chiral Bond" ]	[ "[OBz]", "C", "C", "O", "C", "[STol]", "C", "[OBn]", "C", "[TBSO]", "C", "[BnO]" ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 12.5571, -8.1676 ], [ 11.7592, -8.8644 ], [ 12.074, -9.5461 ], [ 13.0792, -9.3163 ], [ 13.5843, -10.2129 ], [ 14.5406, -10.0182 ], [ 12.6596, -9.9507 ], [ 12.923, -10.9322 ], [ 11.7043, -10.213 ], [ 10....	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 2, 10, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 5 ], [ 6, 7, 1 ], [ 8, 6, 15 ], [ 8, 9, 1 ], [ 10, 8, 5 ...	[]	Chemical Science
10.1039_d5sc03944d_2_figure_0_mol_9.jpg	[ "Special Bond", "Equal-width Chiral Bond" ]	[ "[OBz]", "C", "C", "O", "C", "[STol]", "C", "[R]", "C", "[BnO]", "C", "[BnO]" ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 14.8203, -8.0759 ], [ 14.1446, -8.8123 ], [ 14.5208, -9.6263 ], [ 15.5228, -9.3703 ], [ 16.091499, -10.2544 ], [ 16.9363, -10.0817 ], [ 15.0659, -10.1285 ], [ 15.4127, -11.0991 ], [ 13.9639, -10.3279 ], [ ...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 2, 10, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 5 ], [ 6, 7, 1 ], [ 6, 8, 15 ], [ 8, 9, 1 ], [ 10, 8, 5 ...	[]	Chemical Science
10.1039_d5sc03944d_3_figure_0_mol_1.jpg	[ "Polluted Information", "Special Bond", "Polluted Boundary", "Additional Arrow, Box, Text", "Equal-width Chiral Bond" ]	[ "[TBSO]", "C", "C", "[BnO]", "C", "C", "O", "C", "O", "C", "C", "O", "Si", "C", "C", "C", "C", "C", "C", "C", "C", "O", "C", "C", "[BnO]", "C", "[OBn]", "O", "C", "O", "C", "C", "C", "[N3]", "C", "[BnO]" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 5.4359, -12.3497 ], [ 6.6723, -12.366 ], [ 6.1373, -11.5073 ], [ 5.048, -11.5726 ], [ 7.1975, -11.7686 ], [ 6.9154, -10.9658 ], [ 7.6936, -10.3031 ], [ 7.6936, -9.1642 ], [ 7.1489, -8.3334 ], [ 6.079, ...	[ [ 1, 0, 1 ], [ 1, 34, 15 ], [ 2, 1, 5 ], [ 2, 3, 1 ], [ 2, 4, 1 ], [ 4, 5, 1 ], [ 4, 27, 1 ], [ 5, 6, 1 ], [ 7, 6, 1 ], [ 7, 8, 1 ], [ 7, 25, 5 ...	[]	Chemical Science
10.1039_d5sc03944d_3_figure_0_mol_6.jpg	[ "Polluted Information", "Blurry Image", "Special Bond", "Polluted Boundary", "Equal-width Chiral Bond" ]	[ "[Ph]", "C", "O", "C", "C", "O", "C", "[STol]", "C", "[TBSO]", "C", "[BnO]", "C", "O" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 11.3457, -7.4029 ], [ 11.3707, -8.1849 ], [ 12.3384, -8.6083 ], [ 12.3384, -9.4635 ], [ 12.7782, -10.1774 ], [ 13.8709, -9.8971 ], [ 14.4357, -10.736 ], [ 15.1951, -10.3529 ], [ 13.393, -10.5058 ], [ 13...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 13, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 12, 1 ], [ 5, 6, 1 ], [ 6, 7, 1 ], [ 6, 8, 5 ], [ 8, 9, 1 ...	[]	Chemical Science
10.1039_d5sc03944d_4_figure_0_mol_2.jpg	[ "Polluted Information", "Special Bond", "Equal-width Chiral Bond", "Polluted Boundary", "Blurry Image" ]	[ "[OBz]", "C", "C", "O", "C", "[STol]", "C", "[OBn]", "C", "[BnO]", "C", "[BnO]" ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 14.9803, -8.1966 ], [ 14.1203, -8.9081 ], [ 14.4257, -9.6197 ], [ 15.5268, -9.4418 ], [ 16.097401, -10.2848 ], [ 16.893101, -10.0914 ], [ 15.0767, -10.0296 ], [ 15.3339, -10.9035 ], [ 13.9757, -10.2075 ], [...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 2, 10, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 5 ], [ 6, 7, 1 ], [ 8, 6, 15 ], [ 8, 9, 1 ], [ 10, 8, 5 ...	[]	Chemical Science
10.1039_d5sc03944d_4_figure_0_mol_3.jpg	[ "3D Style", "Special Bond", "3D Grayscale Image", "Equal-width Chiral Bond", "Bond Crossing", "Blurry Image" ]	[ "[OBz]", "C", "C", "O", "C", "[STol]", "C", "O", "C", "[BnO]", "C", "[BnO]" ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 8.574, -8.2946 ], [ 7.744, -8.9329 ], [ 8.0506, -9.6286 ], [ 9.1773, -9.3567 ], [ 9.6806, -10.2587 ], [ 10.7499, -10.0624 ], [ 8.6013, -9.98 ], [ 8.8806, -10.9053 ], [ 7.6246, -10.2851 ], [ 6.458, -...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 2, 10, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 5 ], [ 6, 7, 1 ], [ 8, 6, 15 ], [ 8, 9, 1 ], [ 10, 8, 5 ...	[]	Chemical Science
10.1039_d5sc03944d_5_figure_0_mol_3.jpg	[ "Polluted Information", "Special Bond", "Polluted Boundary", "Equal-width Chiral Bond", "Special Bond Format", "Additional Arrow, Box, Text", "Long Bond", "Special Molecular Structure", "Large Molecule" ]	[ "C", "[BnO]", "C", "C", "[OBn]", "C", "O", "C", "C", "O", "C", "C", "O", "C", "[BnO]", "C", "[BnO]", "O", "C", "C", "O", "C", "C", "[BnO]", "C", "O", "C", "C", "C", "[N3]", "O", "C", "C", "O", "C", "O", "C", "C", "O", "C", "[Ph]", "O"...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 7.5356, -11.4888 ], [ 7.155, -12.3 ], [ 8.5724, -11.5284 ], [ 8.8958, -10.5096 ], [ 9.9137, -10.7371 ], [ 9.6378, -9.8468 ], [ 11.3882, -10.8756 ], [ 11.2645, -9.1149 ], [ 12.2348, -9.2633 ], [ 11.626, ...	[ [ 0, 1, 1 ], [ 0, 2, 5 ], [ 0, 60, 1 ], [ 2, 3, 15 ], [ 2, 63, 1 ], [ 3, 4, 1 ], [ 5, 3, 5 ], [ 5, 6, 1 ], [ 5, 59, 1 ], [ 7, 6, 1 ], [ 7, 15, 1...	[]	Chemical Science
10.1039_d5sc03944d_6_figure_0_mol_5.jpg	[ "Polluted Information", "Special Bond", "Polluted Boundary", "Equal-width Chiral Bond", "Special Molecular Structure", "Additional Arrow, Box, Text" ]	[ "[BnO]", "C", "C", "O", "C", "C", "O", "C", "O", "C", "C", "[BnO]", "C", "O", "O", "C", "C", "O", "C", "O", "C", "C", "O", "C", "[Ph]", "O", "C", "C", "[BnO]", "C", "[BnO]", "C", "[BnO]", "C", "[TBSO]", "C", "C", "C", "[NBnCbz]", "C", "...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 3.1045, -11.4464 ], [ 4.1796, -11.0837 ], [ 3.6756, -11.9659 ], [ 3.6756, -13.005 ], [ 4.2927, -12.5782 ], [ 4.6888, -11.6783 ], [ 5.7758, -11.8546 ], [ 6.2548, -11.0011 ], [ 6.2916, -10.1846 ], [ 8.106...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 33, 1 ], [ 2, 3, 1 ], [ 2, 5, 5 ], [ 3, 39, 1 ], [ 4, 5, 1 ], [ 4, 40, 1 ], [ 5, 6, 15 ], [ 7, 6, 5 ], [ 7, 8, 1 ...	[]	Chemical Science
10.1039_d5sc03944d_6_figure_0_mol_7.jpg	[ "Polluted Information", "Special Molecular Structure", "Special Bond", "Additional Arrow, Box, Text", "Large Molecule", "Equal-width Chiral Bond", "Special Atom/Ion/Functional Group", "Numbered Atom" ]	[ "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 9.6845, -1.18 ], [ 8.9616, -1.6421 ], [ 9.9082, -1.9104 ], [ 10.4597, -2.2607 ], [ 9.4684, -2.5066 ], [ 11.3168, -2.5066 ], [ 6.9343, -3.2519 ], [ 6.1368, -3.647 ], [ 7.1058, -3.9376 ], [ 10.6982, -...	[ [ 0, 2, 1 ], [ 0, 33, 1 ], [ 1, 2, 1 ], [ 1, 4, 5 ], [ 1, 34, 1 ], [ 2, 35, 1 ], [ 3, 38, 1 ], [ 4, 3, 15 ], [ 4, 36, 1 ], [ 5, 3, 5 ], [ 5, 35, ...	[]	Chemical Science
10.1039_d5sc03944d_6_figure_0_mol_9.jpg	[ "Special Bond", "Equal-width Chiral Bond" ]	[ "C", "C", "Si", "C", "C", "C", "C", "O", "C", "C", "[BnO]", "C", "[BnO]", "C", "[STol]", "O", "C", "C", "O", "C", "C" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 2.2214, -7.3454 ], [ 2.9716, -7.7996 ], [ 2.9716, -8.6694 ], [ 2.0675, -8.6694 ], [ 1.6155, -7.9156 ], [ 1.6155, -9.4232 ], [ 1.1731, -8.6694 ], [ 3.5294, -9.5875 ], [ 3.5294, -10.5636 ], [ 4.0873, ...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 19, 1 ], [ 1, 20, 1 ], [ 2, 3, 1 ], [ 2, 7, 1 ], [ 2, 18, 1 ], [ 3, 4, 1 ], [ 3, 5, 1 ], [ 3, 6, 1 ], [ 8, 7, 1 ...	[]	Chemical Science
10.1039_d5sc03944d_7_figure_0_mol_3.jpg	[ "Polluted Information", "3D Style", "Special Molecular Structure", "Special Bond", "Special Atom/Ion/Functional Group Format", "Polymer", "Additional Arrow, Box, Text", "2D/3D Mixture", "Equal-width Chiral Bond", "Decorated Text", "Incomplete Molecule" ]	[ "C", "C", "C", "C", "C", "O", "C", "C", "C", "C", "O", "O", "O", "O", "C", "O", "O", "C", "C", "O", "O", "O", "O", "C", "C", "C", "N", "C", "N", "[GROUPα]", "S", "C", "C", "C", "C", "C", "C", "O", "C", "C", "C", "C", "C", "C", "...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 12.6606, -5.7999 ], [ 11.8962, -5.5273 ], [ 10.7836, -5.9265 ], [ 10.2894, -5.0525 ], [ 11.1098, -5.3252 ], [ 12.1689, -4.9235 ], [ 13.8106, -8.9749 ], [ 13.0462, -8.7023 ], [ 11.9336, -9.1015 ], [ 11.4...	[ [ 0, 1, 5 ], [ 0, 11, 1 ], [ 1, 2, 15 ], [ 1, 16, 1 ], [ 2, 13, 1 ], [ 3, 2, 5 ], [ 3, 4, 1 ], [ 3, 12, 1 ], [ 4, 5, 1 ], [ 4, 14, 1 ], [ 5, 0, ...	[]	Chemical Science
10.1039_d5sc04037j_4_figure_0_mol_0.jpg	[ "Polluted Information", "Special Molecular Structure", "Additional Arrow, Box, Text", "Multi-group" ]	[ "[NEt2]", "C", "C", "C", "C", "C", "O", "C", "O", "C", "C", "C", "C", "C", "C", "C", "C", "C", "O", "C", "C", "C", "[Et2N]", "O", "C", "O", "C", "P", "O", "O", "O", "P", "O", "O", "O", "P", "O", "O", "O" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, -1, null, null, -1, null, null, null, -1, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 7.3864, -5.1192 ], [ 6.6793, -5.8263 ], [ 6.9381, -6.7923 ], [ 6.231, -7.4994 ], [ 5.2651, -7.2406 ], [ 5.0063, -6.2746 ], [ 4.0403, -6.0158 ], [ 3.3332, -6.7229 ], [ 2.3673, -6.4641 ], [ 3.5921, -7...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 26, 2 ], [ 2, 3, 2 ], [ 3, 4, 1 ], [ 4, 5, 2 ], [ 4, 10, 1 ], [ 5, 6, 1 ], [ 5, 26, 1 ], [ 6, 7, 1 ], [ 7, 8, 2 ...	[ { "alias": "8", "atoms": [ 31, 32, 33, 34 ], "display_rects": [ [ 11.2753, -8.1272, 11.2695, -6.6272 ], [ 13.1514, -6.62, 13.1572, -8.12 ] ] } ]	Chemical Science
10.1039_d5sc04037j_5_figure_1_mol_5.jpg	[ "Polluted Information", "Special Molecular Structure", "Special Atom/Ion/Functional Group", "Polluted Boundary", "Additional Arrow, Box, Text", "Multi-group", "Charge Symbol" ]	[ "O", "P", "O", "P", "O", "O", "O", "O", "O", "C", "[DEACM]", "C", "[DEACM]" ]	[ null, null, null, null, null, null, -1, null, -1, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 10.0342, -8.1869 ], [ 10.0342, -9.1531 ], [ 8.8795, -9.1531 ], [ 7.7249, -9.1531 ], [ 7.7249, -8.1869 ], [ 7.0746, -9.1531 ], [ 7.7249, -10.1194 ], [ 11.228, -9.1531 ], [ 10.0342, -10.1194 ], [ 6.3446, ...	[ [ 0, 1, 2 ], [ 1, 2, 1 ], [ 1, 7, 1 ], [ 1, 8, 1 ], [ 2, 3, 1 ], [ 3, 4, 2 ], [ 3, 5, 1 ], [ 3, 6, 1 ], [ 5, 9, 1 ], [ 7, 11, 1 ], [ 9, 10, 1 ...	[ { "alias": "8", "atoms": [ 2, 3, 4, 6 ], "display_rects": [ [ 9.4569, -8.4031, 9.4569, -9.9031 ], [ 7.3997, -9.9031, 7.3997, -8.4031 ] ] } ]	Chemical Science
10.1039_d5sc04037j_7_figure_0_mol_3.jpg	[ "Polluted Information", "Special Molecular Structure", "Special Atom/Ion/Functional Group", "Additional Arrow, Box, Text", "Multi-group", "Charge Symbol" ]	[ "O", "P", "O", "O", "P", "O", "O", "O", "O" ]	[ -1, null, null, null, null, -1, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ [ 3.6251, -10.2992 ], [ 3.6251, -9.158 ], [ 2.7693, -9.158 ], [ 4.4809, -9.158 ], [ 5.3366, -9.158 ], [ 5.3366, -10.2992 ], [ 6.1924, -9.158 ], [ 5.3366, -8.0108 ], [ 3.6251, -8.0108 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 3, 1 ], [ 1, 8, 2 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 1 ], [ 4, 7, 2 ] ]	[ { "alias": "7", "atoms": [ 0, 1, 3, 8 ], "display_rects": [ [ 3.1972, -9.908, 3.1972, -8.408 ], [ 4.9088, -8.408, 4.9088, -9.908 ] ] } ]	Chemical Science
10.1039_d5sc04037j_8_figure_0_mol_3.jpg	[ "Special Molecular Structure", "Special Atom/Ion/Functional Group", "Special Atom/Ion/Functional Group Format", "Charge Symbol", "Isotope Symbol", "Decorated Text", "Multi-group" ]	[ "[DEACM18O]", "P", "O", "P", "O", "O", "O", "O", "O" ]	[ null, null, null, null, null, null, -1, null, -1 ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ [ 4.3625, -8.075 ], [ 6.825, -8.05 ], [ 7.825, -8.05 ], [ 8.825, -8.05 ], [ 9.825, -8.05 ], [ 6.825, -7.05 ], [ 6.825, -9.05 ], [ 8.825, -7.05 ], [ 8.825, -9.05 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 5, 2 ], [ 1, 6, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 3, 7, 2 ], [ 3, 8, 1 ] ]	[ { "alias": "8", "atoms": [ 1, 2, 5, 6 ], "display_rects": [ [ 5.5972, -8.8125, 5.5903, -7.3125 ], [ 8.3216, -7.3, 8.3284, -8.8 ] ] } ]	Chemical Science
10.1039_d5sc04037j_8_figure_0_mol_6.jpg	[ "Blurry Image", "Special Molecular Structure", "Special Atom/Ion/Functional Group", "Special Atom/Ion/Functional Group Format", "Multi-group", "Charge Symbol", "Isotope Symbol", "Decorated Text" ]	[ "O", "P", "O", "O", "P", "O", "O", "O", "O" ]	[ -1, null, -1, null, null, -1, -1, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ 18, null, null, null, null, null, 18, null, null ]	[ null, null, null, null, null, null, null, null, null ]	[ [ 10.8434, -9.1076 ], [ 11.7617, -9.1076 ], [ 11.7617, -10.1829 ], [ 12.6867, -9.1076 ], [ 13.6116, -9.1076 ], [ 13.6116, -10.1829 ], [ 14.53, -9.1076 ], [ 13.6116, -8.0262 ], [ 11.7617, -8.0262 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 3, 1 ], [ 1, 8, 2 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 1 ], [ 4, 7, 2 ] ]	[ { "alias": "9", "atoms": [ 1, 2, 3, 8 ], "display_rects": [ [ 11.3025, -9.8576, 11.3025, -8.3576 ], [ 13.1492, -8.3576, 13.1492, -9.8576 ] ] } ]	Chemical Science
10.1039_d5sc04104j_1_figure_0_mol_4.jpg	[ "Special Bond", "Special Atom/Ion/Functional Group", "Charge Symbol", "Hash Bond" ]	[ "H", "N", "C", "[R']", "O", "C", "[Me]", "H", "C", "O", "O", "C", "[Me]", "H", "C", "O", "O" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, -1 ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 8.6884, -10.85 ], [ 8.6884, -9.85 ], [ 7.8223, -9.35 ], [ 6.9563, -9.85 ], [ 7.8223, -8.35 ], [ 9.5544, -9.35 ], [ 10.0967, -8.4011 ], [ 9.0371, -8.4511 ], [ 10.4204, -9.85 ], [ 10.4204, -10.85 ],...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 5, 1 ], [ 2, 3, 1 ], [ 2, 4, 2 ], [ 5, 6, 16 ], [ 5, 7, 5 ], [ 5, 8, 1 ], [ 8, 9, 2 ], [ 8, 10, 1 ], [ 10, 11, 1 ...	[]	Chemical Science
10.1039_d5sc04104j_2_figure_0_mol_1.jpg	[ "Polluted Information", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Decorated Bond", "Decorated Text", "Polluted Boundary", "Additional Arrow, Box, Text" ]	[ "[NHBoc]", "C", "C", "C", "[TeocHN]", "C", "O", "N", "C", "C", "C", "C", "O", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "O", "C", "C", "C", "C", "N", "C", "O", "C", "[NHTeoc]", "C", "C", "[BocHN]"...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 3.7947, -12.6531 ], [ 3.2947, -11.7871 ], [ 3.7947, -10.9211 ], [ 3.2947, -10.055 ], [ 1.8662, -10.055 ], [ 3.7947, -9.189 ], [ 4.7947, -9.189 ], [ 3.2947, -8.323 ], [ 3.7947, -7.457 ], [ 4.7947, -7...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 3, 4, 6 ], [ 3, 5, 1 ], [ 5, 6, 2 ], [ 5, 7, 1 ], [ 7, 8, 1 ], [ 8, 9, 1 ], [ 8, 45, 2 ], [ 9, 10, 2 ...	[]	Chemical Science
10.1039_d5sc04104j_2_figure_0_mol_13.jpg	[ "Polluted Information", "Special Bond Format", "Polluted Boundary", "Decorated Bond" ]	[ "C", "C", "C", "C", "Br", "C", "C", "C", "C", "Br" ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ [ 7.7981, -9.6271 ], [ 8.7856, -9.6271 ], [ 9.2793, -8.7719 ], [ 10.2667, -8.7719 ], [ 10.8098, -9.7436 ], [ 8.7856, -7.9168 ], [ 7.7981, -7.9168 ], [ 7.3044, -8.7719 ], [ 6.317, -8.7719 ], [ 5.8232, ...	[ [ 0, 1, 2 ], [ 0, 7, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 2, 5, 2 ], [ 3, 4, 1 ], [ 5, 6, 1 ], [ 6, 7, 2 ], [ 7, 8, 1 ], [ 8, 9, 1 ] ]	[]	Chemical Science
10.1039_d5sc04104j_2_figure_0_mol_8.jpg	[ "Blurry Image", "Special Bond Format", "Decorated Bond" ]	[ "[NHBoc]", "C", "C", "C", "C", "O", "C", "C" ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ [ 8.5443, -7 ], [ 8.5443, -6 ], [ 7.6783, -5.5 ], [ 7.6783, -4.5 ], [ 8.5443, -4 ], [ 8.5443, -3 ], [ 9.4104, -4.5 ], [ 9.4104, -5.5 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 7, 2 ], [ 2, 3, 2 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 2 ], [ 6, 7, 1 ] ]	[]	Chemical Science
10.1039_d5sc04104j_2_figure_0_mol_9.jpg	[ "Blurry Image", "Special Bond Format", "Decorated Bond" ]	[ "C", "C", "C", "C", "C", "C", "O", "[NHBoc]" ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ [ 7.6754, -5.9008 ], [ 8.5409, -7.399 ], [ 8.5419, -6.4014 ], [ 7.6741, -7.8995 ], [ 6.8051, -6.4033 ], [ 6.8109, -7.4033 ], [ 7.6755, -4.9008 ], [ 7.6751, -8.8995 ] ]	[ [ 0, 4, 1 ], [ 0, 6, 1 ], [ 1, 2, 1 ], [ 2, 0, 2 ], [ 3, 1, 2 ], [ 3, 7, 1 ], [ 4, 5, 2 ], [ 5, 3, 1 ] ]	[]	Chemical Science
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[]

Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

10.1039_d5sc04104j_2_figure_0_mol_1.jpg

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[]

Chemical Science

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[ "Polluted Information", "Special Bond Format", "Polluted Boundary", "Decorated Bond" ]

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

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Chemical Science

10.1039_d5sc04104j_3_figure_1_mol_0.jpg

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Chemical Science

10.1039_d5sc04352b_1_figure_1_mol_2.jpg

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Chemical Science

10.1039_d5sc04352b_3_figure_1_mol_2.jpg

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Chemical Science