smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]c(=O)c([N+](=O)[O-])c([O-])c1C 38857505 343191479 /nfs/dbraw/zinc/19/14/79/343191479.db2.gz ZGHUDFKJBIXWMP-UHFFFAOYSA-N -2 3 184.151 0.606 20 5 ACBDHL