smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000051356264 181382048 /nfs/dbraw/zinc/38/20/48/181382048.db2.gz GFJPWHXGOAVBCE-UHFFFAOYSA-N 1 3 239.275 0.912 10 5 BCBEHO