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-])C(c1nn[n-]n1)[N+](=O)[O-] 135610856 343965945 /nfs/dbraw/zinc/96/59/45/343965945.db2.gz LBNPCMNIZCKKGH-UHFFFAOYSA-N -1 1 174.076 -1.248 40 5 AABBMM