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null
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[]
null
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[ "Special Bond Format", "Untokenizable Atom/Ion/Functional Group Present", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Ring Filling", "Colored Background, Bold, Colored Text", "R-group Atoms Represented by Patterns" ]
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[]
null
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[ "Contamination Information", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Additional Information at Screenshot Boundary", "Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]
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null
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[ "Special Bond", "Special Bond Format", "Untokenizable Atom/Ion/Functional Group Present", "Special Atom/Ion/Functional Group Format", "R-group Atoms Represented by Patterns", "Equal-width Chiral Bond", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]
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null
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[ "Untokenizable Atom/Ion/Functional Group Present", "Special Atom/Ion/Functional Group Format", "R-group Atoms Represented by Patterns", "Colored Background, Bold, Colored Text" ]
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[]
null
10.1021_jacs.5c07856_7_figure_0_mol_12.jpg
[ "Contamination Information", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Additional Information at Screenshot Boundary", "Colored Background on Bonds", "Bonds Too Short", "Colored Background, Bold, Colored Text" ]
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[]
null
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[]
null
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[ "Contamination Information", "Special Atom/Ion/Functional Group", "Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics", "Ionic Bond between Separate Ion and Charged Atom", "Charge Symbol", "Additional Information at Screenshot Boundary", "Large Solid Color Areas or Image Background" ]
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null
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[]
null
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[]
null
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null
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[]
null
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[]
null
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[]
null
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[]
null
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[]
null
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[]
null
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[]
null
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[]
null
10.1038_s41929-025-01306-9_3_figure_0_mol_6.jpg
[ "Contamination Information", "Additional Information at Screenshot Boundary" ]
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[]
null
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[ "Contamination Information", "Additional Information at Screenshot Boundary" ]
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[]
null
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[]
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