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)(Cn1c2ccccc2c2c1-c1ccccc1SCC2)[P@@](=O)([O-])O ZINC000040952316 563159985 /nfs/dbraw/zinc/15/99/85/563159985.db2.gz ZVJTZFFCDBVMBO-UHFFFAOYSA-N -2 2 455.365 2.958 1 0 JFAFLL O=P([O-])(O)C(O)(Cn1c2ccccc2c2c1-c1ccccc1SCC2)[P@](=O)([O-])O ZINC000040952316 563159986 /nfs/dbraw/zinc/15/99/86/563159986.db2.gz ZVJTZFFCDBVMBO-UHFFFAOYSA-N -2 2 455.365 2.958 1 0 JFAFLL O=C([O-])c1nc(-c2cscc2NC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)[nH]c(=O)c1O ZINC000003582078 562927280 /nfs/dbraw/zinc/92/72/80/562927280.db2.gz REINIAFSQMDDJU-UHFFFAOYSA-N -2 2 486.487 2.566 1 0 JFAFLL