Expand unassigned tetrahedral stereocenters and E/Z double bonds into explicit stereoisomers with RDKit, keeping every assignment already in the input. Meso and equivalent forms are merged, and each isomer carries a stable parent-to-isomer ID with its CIP (R/S, E/Z) assignments so downstream docking, ADMET, and conformer steps never depend on an arbitrary stereoisomer.
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Estimated minimum cost: $—
Examples
Molecules
Paste SMILES or InChI one per line, or mol blocks / SDF records. At most 10,000 molecules. Stereocenters and double bonds that are already assigned are kept as written; standardize salts and tautomers first so each parent is enumerated once.
or drop a file here
Enumeration options
Meso and other equivalent assignments are merged. Molecules × the per-molecule cap must not exceed 500,000.