smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C(NNC(=O)C[N+](C)(C)C)=C(C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O ZINC000005810130 717101686 /nfs/dbraw/zinc/10/16/86/717101686.db2.gz GVVMBFATDTYERO-AWEZNQCLSA-O 1 0 464.455 -1.566 40 50 JAGBRO COC(=O)C(NNC(=O)C[N+](C)(C)C)=C(C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O ZINC000005810133 717101763 /nfs/dbraw/zinc/10/17/63/717101763.db2.gz GVVMBFATDTYERO-CQSZACIVSA-O 1 0 464.455 -1.566 40 50 JAGBRO