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(Cc1ccc(C2=[NH+]CCN2)cc1[N+](=O)[O-])c1ccc(C2=[NH+]CCN2)cc1 ZINC000001583609 209333634 /nfs/dbraw/zinc/33/36/34/209333634.db2.gz KXKCYZROBMKJQY-UHFFFAOYSA-N 2 1 377.404 1.720 40 5 GDBBMP