smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](N[C@@H](C)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000036992190 340729410 /nfs/dbraw/zinc/72/94/10/340729410.db2.gz JQPTYWTUZIBRDP-GWCFXTLKSA-N 0 3 324.833 5.112 10 5 DKBEHN CC[C@H](N[C@H](C)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000036992192 340729379 /nfs/dbraw/zinc/72/93/79/340729379.db2.gz JQPTYWTUZIBRDP-MFKMUULPSA-N 0 3 324.833 5.112 10 5 DKBEHN