Create Molecule

Registry ID to assign to the entity. If one is specified, the labeling_strategy must be unspecified.

Name of the item.

Strategy to use for labeling the item in the registry. If one is specified, the entity_registry_id must be unspecified.

A not null value means the entity should be registered. If not null, the value must match the registry of the item's schema.

The canonicalized chemical structure in SMILES format. E.g., Nc1nc(=O)n([H:1])cc1C1CC1

The registry-assigned identifier for this item (e.g. its registry ID shown in the UI), present only once the item has been registered. Null if the item is not registered.

Name of the item.

The original chemical structure in SMILES format. Null if the user did not originally provide SMILES. E.g., Nc1nc(=O)n([H:1])cc1C1CC1

The full chemical structure in SMILES format, including salt and solvate counterparts as dot-disconnected fragments (each repeated according to its ratio). When a compound has no counterparts, this equals canonicalSmiles. Null if the full structure couldn't be calculated.