smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=C(O)c1cccc(OCc2ccsc2C(=O)[O-])c1 ZINC000101058949 219115421 /nfs/dbraw/zinc/11/54/21/219115421.db2.gz GAGLLSXSZNUFQK-GHXNOFRVSA-N -2 2 348.332 2.578 1 30 EFEFLL CCCCCCCCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000024951908 581094724 /nfs/dbraw/zinc/09/47/24/581094724.db2.gz KKVZONPEMODBBG-UHFFFAOYSA-N -2 2 346.297 2.909 1 30 in-vivo EFEFLL CCCCCCCCCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000024951908 581094725 /nfs/dbraw/zinc/09/47/25/581094725.db2.gz KKVZONPEMODBBG-UHFFFAOYSA-N -2 2 346.297 2.909 1 30 in-vivo EFEFLL CCCCCCCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000034803918 581094694 /nfs/dbraw/zinc/09/46/94/581094694.db2.gz SXBDBOGSDLDYIY-UHFFFAOYSA-N -2 2 332.270 2.519 1 30 EFEFLL CCCCCCCCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000034803918 581094695 /nfs/dbraw/zinc/09/46/95/581094695.db2.gz SXBDBOGSDLDYIY-UHFFFAOYSA-N -2 2 332.270 2.519 1 30 EFEFLL