smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc2c1[n+]([O-])c1cc3c(cc1[n+]2[O-])CN(CC[NH+]1CCOCC1)C3 ZINC000022863248 207263726 /nfs/dbraw/zinc/26/37/26/207263726.db2.gz GSPDXWWORQBWEZ-UHFFFAOYSA-N 0 2 382.420 0.613 1 5 GCBFLN O=C(CC1(O)C(=O)NC(=O)NC1=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000095577249 208234067 /nfs/dbraw/zinc/23/40/67/208234067.db2.gz PMSYYJDPQTWTTO-UHFFFAOYSA-N 0 2 383.316 0.932 1 5 GCBFLN