Welcome to ZINC20 2D Tranches for Download!

About: This area contains static exports of 2D physical property subsets to support the tranche browser. It is refreshed every 60 days (each file is timestamped). Supported by NIH GM71896 to JJI.

Caveat Emptor: We do not guarantee the quality of any molecule for any purpose and take no responsibility for errors arising from the use of this database. ZINC is provided in the hope that it will be useful, but you must use it at your own risk.

License: Whereas you are free to share the results of a ZINC search or a screen of molecules from ZINC, you may not redistribute major portions of ZINC without the express written permission of John Irwin: chemistry4biology at gmail dot com.

Contents

Physico-chemical property space is organized in 2D into 121 first-level tranches and two further dimensions for a four dimensional space: size, polarity, reactivity and purchasability.
Use the Tranche Browser to facilitate downloading these files. Within each first-level tranche are SMILES files (.smi) and data files (.txt), one molecule per line. They have names corresponding to all four dimensions, the last two of which are as follows:

The 2D tranches are found online at http://files.docking.org/2D/. The dates indicate when the tranche was last built, and is sortable online by clicking on the column heading below.

Questions, problems, comments -> chemistry4biology at gmail dot com. San Francisco, Tuesday, July 17, 2018

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