smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCC[C@@H]1CC[C@@H](CC)[C@@H]2CCCC[N@H+]12 ZINC000028952546 166246168 /nfs/dbraw/zinc/24/61/68/166246168.db2.gz FQWJPZCVYRLSLI-OAGGEKHMSA-N 1 1 235.415 4.386 1 30 BIEFMO