smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000095592466 209083165 /nfs/dbraw/zinc/08/31/65/209083165.db2.gz NCANOSPPXLDNGB-AWEZNQCLSA-N 0 2 357.322 2.409 1 10 FECFLN