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-])c1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)cc1Cl ZINC000170607194 569244477 /nfs/dbraw/zinc/24/44/77/569244477.db2.gz LRBJFYFBTUZVMU-UHFFFAOYSA-N 2 2 410.865 4.497 50 5 HIBALP