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@@H+](CCN(CC[N+](C)(C)C)CC[N+](C)(C)C)C1CCCCCCCCCCC1 ZINC000028249157 717115657 /nfs/dbraw/zinc/11/56/57/717115657.db2.gz NYKRIDBUJZVQSB-UHFFFAOYSA-N 3 1 412.751 4.306 1 5 HIBFMP