ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 1648312

Parameters Provided:

name.synonym = 1-hexanecarboxylate; Aether oenanthicus; Cognac oil; enanthate; Enanthic acid ethyl ester; enanthylate; Enanthylic ether; ethyl enantate; Ethyl enanthate; Ethyl ester of heptanoic acid; Ethyl heptanoic acid; Ethyl heptoate; Ethyl heptoic acid; Ethyl hepty
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '1-hexanecarboxylate; Aether oenanthicus; Cognac oil; enanthate; Enanthic acid ethyl ester; enanthylate; Enanthylic ether; ethyl enantate; Ethyl enanthate; Ethyl ester of heptanoic acid; Ethyl heptanoic acid; Ethyl heptoate; Ethyl heptoic acid; Ethyl hepty' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

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//zinc12.docking.org/results/combination?name.synonym=1-hexanecarboxylate%3B+Aether+oenanthicus%3B+Cognac+oil%3B+enanthate%3B+Enanthic+acid+ethyl+ester%3B+enanthylate%3B+Enanthylic+ether%3B+ethyl+enantate%3B+Ethyl+enanthate%3B+Ethyl+ester+of+heptanoic+acid%3B+Ethyl+heptanoic+acid%3B+Ethyl+heptoate%3B+Ethyl+heptoic+acid%3B+Ethyl+hepty&filter.purchasability=all

Embed Link to Results

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