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)NC(=O)NCCCCCCCCCNC(=O)N[N+](C)(C)C ZINC000006469480 717104684 /nfs/dbraw/zinc/10/46/84/717104684.db2.gz WHZWGTBCTIZYQD-UHFFFAOYSA-P 2 0 360.547 1.558 50 50 FDGARP