smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Br)o3)n2)o1 ZINC000160381912 473114413 /nfs/dbraw/zinc/11/44/13/473114413.db2.gz ZDGQUHYZEJTYMA-UHFFFAOYSA-N -2 1 337.133 2.981 20 70 EFIDML