smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CSc1nc2ccc(Cl)cc2nc1Cl 216705501 QWRQOWZKPOKHNN-UHFFFAOYSA-N 245.134 3.659 70 1 BHIF CC(C)(C)[Si](F)(CCCNC=O)C(C)(C)C 210632504 FZBQKIILSVHQPB-UHFFFAOYSA-N 247.430 3.638 70 1 BHIF CC(C)(C)[Si](F)(CCCO)C(C)(C)C 210624173 JVGYXDDBAMJUQX-UHFFFAOYSA-N 220.404 3.884 70 1 BHIF