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smiles

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OpenSMILES compatible parser and serializer

35 lines (34 loc) 507 B
{ "label": "Dot-Bond", "smiles": "[Na].[Cl]", "tokens": [ { "type": "BracketAtom", "value": "begin" }, { "type": "ElementSymbol", "value": "Na" }, { "type": "BracketAtom", "value": "end" }, { "type": "Bond", "value": "." }, { "type": "BracketAtom", "value": "begin" }, { "type": "ElementSymbol", "value": "Cl" }, { "type": "BracketAtom", "value": "end" } ] }