smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOP(=O)(OCC)C(F)(F)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000256174216 529086924 /nfs/dbraw/zinc/08/69/24/529086924.db2.gz FNXGJJRLYQJCQF-GFCCVEGCSA-N 0 2 371.704 4.559 40 5 FJBBLN CCOP(=O)(OCC)C(F)(F)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000256174222 529086512 /nfs/dbraw/zinc/08/65/12/529086512.db2.gz FNXGJJRLYQJCQF-LBPRGKRZSA-N 0 2 371.704 4.559 40 5 FJBBLN COc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccccc4s3)nc21 ZINC000057352469 571342623 /nfs/dbraw/zinc/34/26/23/571342623.db2.gz GUTFBBQBXAPSSS-UHFFFAOYSA-N 0 2 358.404 4.566 40 5 FJBBLN