smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCC[NH2+]CC[NH3+] ZINC000101360568 563915834 /nfs/dbraw/zinc/91/58/34/563915834.db2.gz LMTSQIZQTFBYRL-UHFFFAOYSA-N 2 1 312.586 5.796 50 30 DKEAMP