smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)C ZINC000001953014 359586145 /nfs/dbraw/zinc/58/61/45/359586145.db2.gz XNCJSQQBRGKZQI-UHFFFAOYSA-N 2 0 244.467 3.126 50 5 BGBARP