smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1 15657772 169305377 /nfs/dbraw/zinc/30/53/77/169305377.db2.gz ZEBYRLPUWQNZNY-UHFFFAOYSA-N -1 1 172.100 -1.034 50 5 in-vitro AABAMM O=[N+]([O-])c1nnnn1Cc1nn[n-]n1 33908802 1423638856 /nfs/dbraw/zinc/63/88/56/1423638856.db2.gz UDYVWNFAYBHREK-UHFFFAOYSA-N -1 1 197.118 -1.857 50 5 AABAMM