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)

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Parameters Provided:

name.synonym = 1-Pyrrolidinepropanenitrile; 1-Pyrrolidinepropionitrile; 3-(1-Pyrrolidine)propionitrile; 3-(1-Pyrrolidinyl)propionitrile; BRN 0107542; EINECS 247-493-0; LS-138192; N-(2-Cyanoethyl)pyrrolidine; N-(beta-Cyanoethyl)pyrrolidine; Pyrrolidine-1-propiononitrile
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-Pyrrolidinepropanenitrile; 1-Pyrrolidinepropionitrile; 3-(1-Pyrrolidine)propionitrile; 3-(1-Pyrrolidinyl)propionitrile; BRN 0107542; EINECS 247-493-0; LS-138192; N-(2-Cyanoethyl)pyrrolidine; N-(beta-Cyanoethyl)pyrrolidine; Pyrrolidine-1-propiononitrile' 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-Pyrrolidinepropanenitrile%3B+1-Pyrrolidinepropionitrile%3B+3-%281-Pyrrolidine%29propionitrile%3B+3-%281-Pyrrolidinyl%29propionitrile%3B+BRN+0107542%3B+EINECS+247-493-0%3B+LS-138192%3B+N-%282-Cyanoethyl%29pyrrolidine%3B+N-%28beta-Cyanoethyl%29pyrrolidine%3B+Pyrrolidine-1-propiononitrile&filter.purchasability=all

Embed Link to Results

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