smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC[C@@H](O)C[NH2+]CC[NH3+] ZINC000100306637 219097032 /nfs/dbraw/zinc/09/70/32/219097032.db2.gz HUUDYFZAGJOSBT-HXUWFJFHSA-N 2 1 328.585 4.767 10 30 EJEEMP