Reaction Enumeration

Apply a reaction SMARTS or MDL RXN definition to up to four reactant SMILES lists and enumerate the product library.

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Estimated minimum cost: $—

Examples

Reactants

Paste SMILES one per line, or upload a .smi / .txt file. Fill lists in order from reactants 1; skipping a component is not allowed. The first token on each line is used.

Reaction

Provide exactly one reaction definition: a reaction SMARTS string or an MDL .rxn file. Component order must match the reactant lists above.

Reaction input

Enumeration options

Duplicate collapse is on by default. SDF output is optional.