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-])(OCC(O)CO[P@](=O)([O-])OC[C@H](O)CO)OC[C@@H](O)CO ZINC000004096230 560193986 /nfs/dbraw/zinc/19/39/86/560193986.db2.gz RCBRFGAYXGRKBS-JVHMLUBASA-N -2 1 400.210 -2.679 1 0 in-vitro HAAFML O=P([O-])(OCC(O)CO[P@@](=O)([O-])OC[C@H](O)CO)OC[C@@H](O)CO ZINC000004096230 560193984 /nfs/dbraw/zinc/19/39/84/560193984.db2.gz RCBRFGAYXGRKBS-JVHMLUBASA-N -2 1 400.210 -2.679 1 0 in-vitro HAAFML O=P([O-])(OCC(O)CO[P@@](=O)([O-])OC[C@@H](O)CO)OC[C@H](O)CO ZINC000004096230 560193982 /nfs/dbraw/zinc/19/39/82/560193982.db2.gz RCBRFGAYXGRKBS-JVHMLUBASA-N -2 1 400.210 -2.679 1 0 in-vitro HAAFML Nc1ccn([C@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC000012504415 560212693 /nfs/dbraw/zinc/21/26/93/560212693.db2.gz ZWIADYZPOWUWEW-GVYWOMJSSA-N -2 1 403.177 -2.329 1 0 in-vitro HAAFML Nc1ccn([C@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1 ZINC000012504415 560212686 /nfs/dbraw/zinc/21/26/86/560212686.db2.gz ZWIADYZPOWUWEW-GVYWOMJSSA-N -2 1 403.177 -2.329 1 0 in-vitro HAAFML