smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CCOC(=O)CCCCCCCCC(=O)OCC[N+]2(C)CCOCC2)CCOCC1 ZINC000100669988 569766460 /nfs/dbraw/zinc/76/64/60/569766460.db2.gz HIYURGPHHJECJM-UHFFFAOYSA-N 2 0 458.640 2.147 50 5 JEBARP