smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O1[SiH]2O[SiH]3O[SiH]1O[SiH](O2)O3 263614511 LVSSUSBPDDJISF-UHFFFAOYSA-N 212.370 -3.004 70 1 BAIF in-vitro