smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[N-]C(=O)c1cc(O)[nH]c(=O)c1 575540623 352604215 /nfs/dbraw/zinc/60/42/15/352604215.db2.gz FEJBQIJNESWYHY-UHFFFAOYSA-N -1 2 179.135 -0.296 10 10 ABCELM O=[P@]([O-])(O)c1ccc(O)c(O)c1 35029433 572117939 /nfs/dbraw/zinc/11/79/39/572117939.db2.gz IMVHSTYPHBIRLJ-UHFFFAOYSA-N -1 2 190.091 -0.099 10 10 ABCELM O=[P@@]([O-])(O)c1ccc(O)c(O)c1 35029433 572117941 /nfs/dbraw/zinc/11/79/41/572117941.db2.gz IMVHSTYPHBIRLJ-UHFFFAOYSA-N -1 2 190.091 -0.099 10 10 ABCELM