smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(C)(OC)C(=O)C[C@H](OS(=O)(=O)C(F)(F)F)[C@@]1(C)COC(C)(C)O1 604973108 SUHCDLWUQCUETH-CMPLNLGQSA-N 408.391 1.731 70 30 HDIC CC(C)(C)OC(=O)N[C@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)OCC#N 2265384586 WUZKMDYYMPJRFI-CYBMUJFWSA-N 402.400 1.782 70 30 HDIC CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccc(OS(=O)(=O)C(F)(F)F)n2)C1 2265361405 GRSSBEUBLDVMQU-SECBINFHSA-N 412.390 1.808 70 30 HDIC CC(C)(C)OC(=O)N[C@H]1CCN(c2nccc(OS(=O)(=O)C(F)(F)F)n2)C1 2265361406 GRSSBEUBLDVMQU-VIFPVBQESA-N 412.390 1.808 70 30 HDIC CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)OCC#N 2265384587 WUZKMDYYMPJRFI-ZDUSSCGKSA-N 402.400 1.782 70 30 HDIC