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](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000014975887 220139163 /nfs/dbraw/zinc/13/91/63/220139163.db2.gz GBBWDDPNGBRVEX-YXZULKJRSA-N -1 2 365.195 -1.793 1 30 in-vitro FAEFLM [N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000014975887 220139160 /nfs/dbraw/zinc/13/91/60/220139160.db2.gz GBBWDDPNGBRVEX-YXZULKJRSA-N -1 2 365.195 -1.793 1 30 in-vitro FAEFLM C=CCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H]2O)cc1F ZINC000027550665 203869049 /nfs/dbraw/zinc/86/90/49/203869049.db2.gz NJASKGBHGQTLQM-ODHVRURNSA-N -1 2 359.266 -1.179 1 30 FAEFLM C#CCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H]2O)cc1F ZINC000027552109 210162816 /nfs/dbraw/zinc/16/28/16/210162816.db2.gz CFCWKZFABGHQRD-ODHVRURNSA-N -1 2 357.250 -1.732 1 30 FAEFLM C#CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H]2O)cc1F ZINC000049110507 221019247 /nfs/dbraw/zinc/01/92/47/221019247.db2.gz CFCWKZFABGHQRD-PYHGXSLLSA-N -1 2 357.250 -1.732 1 30 FAEFLM