smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(CO)nc([O-])c1[N+](=O)[O-] 36466747 343146329 /nfs/dbraw/zinc/14/63/29/343146329.db2.gz IXNDXPJDTJOVML-UHFFFAOYSA-N -2 1 187.111 -1.124 10 5 AABEML