smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCc1cc(CN2CCN(c3ccccc3OC)CC2)c([O-])c2ncccc12 ZINC000006804062 132317779 /nfs/dbraw/zinc/31/77/79/132317779.db2.gz LLQHRKRHUJUPPY-UHFFFAOYSA-N -1 3 407.514 3.808 10 10 HHCEHM