smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(S(=O)(=O)N[C@H]2[C@@H]3OC(C)(C)O[C@@H]3[C@@H](I)[C@@H]3OC(=O)c4[nH]c5ccccc5c4[C@H]23)cc1 136585374 DXJDVKILZWMNON-IOEODSHDSA-N 608.454 3.783 70 30 KHIC CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 77303471 WEFZNIIQVROKGK-SUWSLWCISA-N 638.569 3.901 70 30 KHIC in-vitro