smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 1683866 169355394 /nfs/dbraw/zinc/35/53/94/169355394.db2.gz VJMXJGVEVASJOD-UHFFFAOYSA-N -2 3 184.107 -0.019 50 5 in-vitro ABBAHL