smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])/C=C/C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000312797179 659539975 /nfs/dbraw/zinc/53/99/75/659539975.db2.gz IIGGRZVBKTWIJL-GORDUTHDSA-N -2 1 304.255 0.653 10 5 DCBEML O=C([O-])/C=C\C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000312797178 659540062 /nfs/dbraw/zinc/54/00/62/659540062.db2.gz IIGGRZVBKTWIJL-DJWKRKHSSA-N -2 1 304.255 0.653 10 5 DCBEML