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(N3CCn4c(CN5CCOCC5)nnc4C3)c2C1 ZINC001164676311 719575070 /nfs/dbraw/zinc/57/50/70/719575070.db2.gz AKIBXHJSPDBYBO-UHFFFAOYSA-N 0 0 497.387 1.307 20 50 JDGDRN