smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc([NH+]2CCCCC2)ccc1OCCC[NH+]1CCCCC1 ZINC000072179514 191072789 /nfs/dbraw/zinc/07/27/89/191072789.db2.gz UBMOUNGQOGVEEQ-UHFFFAOYSA-N 2 2 302.462 3.932 1 10 DHCFLP