smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)O[C@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)[P@](=O)([O-])O ZINC000013440462 220066686 /nfs/dbraw/zinc/06/66/86/220066686.db2.gz ISJZRGVAXJYILG-NSHDSACASA-N -2 1 359.187 0.689 1 5 FCBFML CC(=O)O[C@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)P(=O)([O-])[O-] ZINC000013440462 220066687 /nfs/dbraw/zinc/06/66/87/220066687.db2.gz ISJZRGVAXJYILG-NSHDSACASA-N -2 1 359.187 0.689 1 5 FCBFML CC(=O)O[C@@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)[P@](=O)([O-])O ZINC000013440460 220067622 /nfs/dbraw/zinc/06/76/22/220067622.db2.gz ISJZRGVAXJYILG-LLVKDONJSA-N -2 1 359.187 0.689 1 5 FCBFML CC(=O)O[C@@H](c1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c21)P(=O)([O-])[O-] ZINC000013440460 220067624 /nfs/dbraw/zinc/06/76/24/220067624.db2.gz ISJZRGVAXJYILG-LLVKDONJSA-N -2 1 359.187 0.689 1 5 FCBFML