smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c2C1 ZINC001164733293 720557819 /nfs/dbraw/zinc/55/78/19/720557819.db2.gz KNTBKRMYTPCDAJ-UHFFFAOYSA-N 0 1 494.427 2.719 20 50 JFGDMN