smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN(C)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000275231798 530236967 /nfs/dbraw/zinc/23/69/67/530236967.db2.gz JKKRZZAUZKTHSD-UHFFFAOYSA-N -1 0 381.432 -0.009 20 10 GBCDRM CN1C(=O)C(=CNc2ccc(S(=O)(=O)NCC(=O)[O-])cc2)C(=O)N(C)C1=O ZINC000737505614 599834877 /nfs/dbraw/zinc/83/48/77/599834877.db2.gz BMMNGMXQQVQZSK-UHFFFAOYSA-N -1 0 396.381 -0.604 20 10 GBCDRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000737612352 599756511 /nfs/dbraw/zinc/75/65/11/599756511.db2.gz IOBAEYKDUMQVJH-UHFFFAOYSA-N -1 0 379.413 -0.097 20 10 GBCDRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000739293910 600311654 /nfs/dbraw/zinc/31/16/54/600311654.db2.gz PBLUJEZUFYYEJK-CJNGLKHVSA-N -1 0 381.404 -0.202 20 10 GBCDRM O=C([O-])N1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C(=O)C1 ZINC000740369026 603019617 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