smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)co1 ZINC000161358086 473229337 /nfs/dbraw/zinc/22/93/37/473229337.db2.gz BPYDNNIEAVNHOZ-UHFFFAOYSA-N -1 1 339.760 2.558 40 70 EFIBMM