smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC000014975887 220139157 /nfs/dbraw/zinc/13/91/57/220139157.db2.gz GBBWDDPNGBRVEX-YXZULKJRSA-N -2 0 365.195 -1.793 1 30 in-vitro FAEFRL C=CCOC(=O)[N-]c1nc(=O)n([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H]2O)cc1F ZINC000027550665 203869046 /nfs/dbraw/zinc/86/90/46/203869046.db2.gz NJASKGBHGQTLQM-ODHVRURNSA-N -2 0 359.266 -1.179 1 30 FAEFRL C#CCOC(=O)[N-]c1nc(=O)n([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H]2O)cc1F ZINC000027552109 210162807 /nfs/dbraw/zinc/16/28/07/210162807.db2.gz CFCWKZFABGHQRD-ODHVRURNSA-N -2 0 357.250 -1.732 1 30 FAEFRL C#CCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H]2O)cc1F ZINC000049110507 221019243 /nfs/dbraw/zinc/01/92/43/221019243.db2.gz CFCWKZFABGHQRD-PYHGXSLLSA-N -2 0 357.250 -1.732 1 30 FAEFRL