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-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NC1CCN(Cc2ccccc2)CC1 ZINC000514296607 1066247319 /nfs/dbraw/zinc/24/73/19/1066247319.db2.gz MGIAHZLCHRNPBJ-UHFFFAOYSA-N 0 3 503.625 2.282 20 5 KEBDHN