smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1nnc([N-]C(=O)c2ncc(-c3ccc(F)cc3)o2)s1 ZINC000217432695 241250343 /nfs/dbraw/zinc/25/03/43/241250343.db2.gz BOKWSRPFRXTTLX-UHFFFAOYSA-N -1 0 346.387 3.927 50 70 EHIARM