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+](C)(C)N ZINC000001670600 342707781 /nfs/dbraw/zinc/70/77/81/342707781.db2.gz YKXSLHIBKCLSRX-UHFFFAOYSA-N 1 3 201.378 3.077 40 30 BGEBHO