smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=NC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 1857567126 BYWXTMONYJZRFH-LRGKAINGSA-N 318.242 -2.183 70 1 DAIF O1[SiH]2O[SiH]3O[SiH]1O[SiH]1O[SiH](O[SiH](O1)O3)O2 263614263 FCAMXFIJXPLMPH-UHFFFAOYSA-N 318.555 -4.507 70 1 DAIF in-vitro