smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020435664 553648293 /nfs/dbraw/zinc/64/82/93/553648293.db2.gz RIRTVCWQHFIWPW-XQNSMLJCSA-N 1 2 518.552 2.960 10 30 KFEELO