smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccc(F)cc1)c1cc(=O)[n-]cn1 ZINC000217793392 182250112 /nfs/dbraw/zinc/25/01/12/182250112.db2.gz HGZHVYDCANBCOK-UHFFFAOYSA-N -1 3 247.229 0.839 50 70 BCIAHM