smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000160951204 570450441 /nfs/dbraw/zinc/45/04/41/570450441.db2.gz LDHNJAGTSHHQDH-UHFFFAOYSA-N -1 1 394.924 4.532 50 70 GJIAMM