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)Nc1ccc(F)cc1 ZINC000005810140 717101741 /nfs/dbraw/zinc/10/17/41/717101741.db2.gz SYXINDULSFIZAY-AWEZNQCLSA-O 1 0 439.420 -0.526 40 50 IBGBRO COC(=O)C(NNC(=O)C[N+](C)(C)C)=C(C(=O)OC)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000005810142 717102067 /nfs/dbraw/zinc/10/20/67/717102067.db2.gz SYXINDULSFIZAY-CQSZACIVSA-O 1 0 439.420 -0.526 40 50 IBGBRO