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(CCl)Nc1nnn[n-]1 5380631 1423342920 /nfs/dbraw/zinc/34/29/20/1423342920.db2.gz HAZFRPCINVUQFY-UHFFFAOYSA-N -1 1 161.552 -0.623 50 50 ABGAMM