smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)NCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000160501590 408490190 /nfs/dbraw/zinc/49/01/90/408490190.db2.gz OXDQGKLXCZWVSU-UHFFFAOYSA-N -1 1 309.248 1.288 20 70 DDIDMM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000160202194 408461923 /nfs/dbraw/zinc/46/19/23/408461923.db2.gz NTBNBDXYTWSEPT-WCBMZHEXSA-N -1 1 318.345 1.287 20 70 DDIDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2C(C)C)co1 ZINC000160351806 408473019 /nfs/dbraw/zinc/47/30/19/408473019.db2.gz XFFWYOCGOZMSHV-UHFFFAOYSA-N -1 1 312.351 1.217 20 70 DDIDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cscc2C)co1 ZINC000161176040 408569260 /nfs/dbraw/zinc/56/92/60/408569260.db2.gz XVBBXTAADDNEII-UHFFFAOYSA-N -1 1 300.361 1.810 20 70 DDIDMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccccc32)co1 ZINC000161050537 408555076 /nfs/dbraw/zinc/55/50/76/408555076.db2.gz CMHADDYOWRGAKP-ZDUSSCGKSA-N -1 1 320.370 1.605 20 70 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