smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[n+]1cccc([C@@H]2CCC[N@H+]2C)c1 ZINC000017654940 182085087 /nfs/dbraw/zinc/08/50/87/182085087.db2.gz IGRBOGLDQXBDPE-FQEVSTJZSA-N 2 1 303.514 4.882 50 30 DJEAMP