smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1cccc[nH+]1 ZINC000020264145 202036560 /nfs/dbraw/zinc/03/65/60/202036560.db2.gz AEZLHBYVACCVRX-UHFFFAOYSA-N 2 2 346.926 4.618 50 5 EJBALP