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-])c1ccc([O-])c(C(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000584597793 337374505 /nfs/dbraw/zinc/37/45/05/337374505.db2.gz RYPNNRRJDZMCOY-XVNBXDOJSA-N -2 0 302.713 3.640 10 30 DHEERL