smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)c1ccccc1Cl ZINC000043443008 205084049 /nfs/dbraw/zinc/08/40/49/205084049.db2.gz WVKXYVGIKXAOKA-OAHLLOKOSA-N -1 2 377.805 3.967 1 30 GHEFLM CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)c1ccccc1Cl ZINC000043443008 205084052 /nfs/dbraw/zinc/08/40/52/205084052.db2.gz WVKXYVGIKXAOKA-OAHLLOKOSA-N -1 2 377.805 3.967 1 30 GHEFLM Cc1ccc(/C=C2\CN([P@@](=O)([O-])O)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000064512054 205190940 /nfs/dbraw/zinc/19/09/40/205190940.db2.gz JZQSKNHDEGQHHO-AYKLPDECSA-N -1 2 383.384 3.748 1 30 GHEFLM Cc1ccc(/C=C2\CN([P@](=O)([O-])O)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000064512054 205190944 /nfs/dbraw/zinc/19/09/44/205190944.db2.gz JZQSKNHDEGQHHO-AYKLPDECSA-N -1 2 383.384 3.748 1 30 GHEFLM CCCCCCCC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)O[P@@](=O)([O-])O ZINC000043946880 205085156 /nfs/dbraw/zinc/08/51/56/205085156.db2.gz WSWXSQNYFMZUDP-RDTXWAMCSA-N -1 2 387.413 3.711 1 30 GHEFLM CCCCCCCC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)O[P@](=O)([O-])O ZINC000043946880 205085158 /nfs/dbraw/zinc/08/51/58/205085158.db2.gz WSWXSQNYFMZUDP-RDTXWAMCSA-N -1 2 387.413 3.711 1 30 GHEFLM CCCCCCCC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)O[P@@](=O)([O-])O ZINC000014163027 207012334 /nfs/dbraw/zinc/01/23/34/207012334.db2.gz WSWXSQNYFMZUDP-KSSFIOAISA-N -1 2 387.413 3.711 1 30 GHEFLM CCCCCCCC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)O[P@](=O)([O-])O ZINC000014163027 207012339 /nfs/dbraw/zinc/01/23/39/207012339.db2.gz WSWXSQNYFMZUDP-KSSFIOAISA-N -1 2 387.413 3.711 1 30 GHEFLM