smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@@H]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026749 178181715 /nfs/dbraw/zinc/18/17/15/178181715.db2.gz FQZHGSCSLVVEEQ-GXSJLCMTSA-N 0 2 249.314 3.289 20 5 BGBDLN CCc1ccc(OCC2CCC2)c([N+](=O)[O-])c1 ZINC000463197430 388732251 /nfs/dbraw/zinc/73/22/51/388732251.db2.gz APYRTFSMSUHAJM-UHFFFAOYSA-N 0 2 235.283 3.336 20 5 BGBDLN