smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=N[N-]c1cc(Cl)ccc1Cl 2507901 169315530 /nfs/dbraw/zinc/31/55/30/169315530.db2.gz WAKVBBFVJLUCDU-UHFFFAOYSA-N -1 3 191.017 3.466 10 10 AGCEHM