smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2nc3cc4nc5ccccc5[n+]([O-])c4cc3[nH]2)cc(Br)c1[O-] ZINC000048524487 569257944 /nfs/dbraw/zinc/25/79/44/569257944.db2.gz RQIQCRBWGNHWGT-UHFFFAOYSA-N -1 3 437.253 4.041 10 5 IIBEHM