smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)c1nc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[n-]1 ZINC000429419700 1075491437 /nfs/dbraw/zinc/49/14/37/1075491437.db2.gz AGZVELGJHODHOI-UHFFFAOYSA-N -2 3 417.403 1.948 20 5 HDBDHL