smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(O)(CCn1c2ccccc2c2c1-c1ccccc1SCC2)[P@@](=O)([O-])O ZINC000040952318 563159915 /nfs/dbraw/zinc/15/99/15/563159915.db2.gz HBZXHMYFJPFCBO-UHFFFAOYSA-N -2 2 469.392 3.348 1 0 JGAFLL O=P([O-])(O)C(O)(CCn1c2ccccc2c2c1-c1ccccc1SCC2)[P@](=O)([O-])O ZINC000040952318 563159916 /nfs/dbraw/zinc/15/99/16/563159916.db2.gz HBZXHMYFJPFCBO-UHFFFAOYSA-N -2 2 469.392 3.348 1 0 JGAFLL O=P([O-])(O)C(O)(COc1cccc(-c2cccc(-c3ccccc3)c2)c1)[P@@](=O)([O-])O ZINC000016051964 563012969 /nfs/dbraw/zinc/01/29/69/563012969.db2.gz NWIARQRYIRVYCM-UHFFFAOYSA-N -2 2 450.320 3.401 1 0 in-vivo JGAFLL O=P([O-])(O)C(O)(COc1cccc(-c2cccc(-c3ccccc3)c2)c1)[P@](=O)([O-])O ZINC000016051964 563012970 /nfs/dbraw/zinc/01/29/70/563012970.db2.gz NWIARQRYIRVYCM-UHFFFAOYSA-N -2 2 450.320 3.401 1 0 in-vivo JGAFLL O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc2cc(C(F)(F)[P@](=O)([O-])O)ccc2c1 ZINC000013538396 562972923 /nfs/dbraw/zinc/97/29/23/562972923.db2.gz DCYOPQUMFFTNAV-UHFFFAOYSA-N -2 2 455.375 3.327 1 0 JGAFLL O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc2cc(C(F)(F)[P@@](=O)([O-])O)ccc2c1 ZINC000013538396 562972924 /nfs/dbraw/zinc/97/29/24/562972924.db2.gz DCYOPQUMFFTNAV-UHFFFAOYSA-N -2 2 455.375 3.327 1 0 JGAFLL