smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(-c2ccc(Br)cc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000015444302 556528529 /nfs/dbraw/zinc/52/85/29/556528529.db2.gz QBLKHVLDLJCQJG-UHFFFAOYSA-N 0 2 436.590 4.801 30 0 IJACLN