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)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O ZINC000003633898 717097124 /nfs/dbraw/zinc/09/71/24/717097124.db2.gz CDOCAVGDZWWCGP-UHFFFAOYSA-P 2 0 418.578 3.922 1 10 HHCFRP