smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Br)cc(C=Nc2ccc3oc(-c4cccnc4)nc3c2)c(O)c1Br ZINC000252591112 570084049 /nfs/dbraw/zinc/08/40/49/570084049.db2.gz AXRASZCMRGNEKB-UHFFFAOYSA-N -2 2 489.123 5.577 50 30 JKEALL