smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)OC(=O)N1c2ccccc2C(OS(=O)(=O)C(F)(F)F)=CC1(C)C 198667966 KJZMELHKSMQQQY-UHFFFAOYSA-N 407.410 4.427 70 30 HIIC O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)COc1ccccc1 97976224 ZGDFXYHVIFUFEX-UHFFFAOYSA-N 410.453 4.431 70 30 HIIC