smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCCCCCCCCCCC[N+](C)(C)C ZINC000005764608 181281530 /nfs/dbraw/zinc/28/15/30/181281530.db2.gz YLHAJLBDDIMJHL-UHFFFAOYSA-N 2 0 314.602 5.080 10 5 DKBERP