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(C)CCN(CCCl)CC1 60008060 717132014 /nfs/dbraw/zinc/13/20/14/717132014.db2.gz QLQVZYJTCUDERC-UHFFFAOYSA-N 1 0 177.699 0.617 20 50 ACGDRO