smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)c(O)c(/C=N/c2cc(Cl)ccc2[O-])c1 ZINC000103753986 219322668 /nfs/dbraw/zinc/32/26/68/219322668.db2.gz COMOADLCDWOFKF-REZTVBANSA-N -2 1 340.604 4.573 50 30 EJEAML