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)Cc1cccc2ccccc21 ZINC000000439061 717087898 /nfs/dbraw/zinc/08/78/98/717087898.db2.gz IVUVZFNMWUENTP-UHFFFAOYSA-O 1 0 243.330 2.120 50 50 BEGARO C[N+](C)(C)CCCCCBr ZINC000002566600 717095762 /nfs/dbraw/zinc/09/57/62/717095762.db2.gz YOSALHKHPBALIO-UHFFFAOYSA-N 1 0 209.151 2.258 50 50 in-vivo BEGARO