smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([O-])c[n+]1C(C(=O)C1=CCC(=NC(=O)C(C)C)C=C1)=C([S-])Nc1ccc(F)c(Cl)c1 ZINC000920483968 1071204993 /nfs/dbraw/zinc/20/49/93/1071204993.db2.gz KUPOPHJVBJMGHZ-UHFFFAOYSA-O -1 0 501.003 5.510 20 30 KKEDRM