smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C=O 140853223 YWGFSHDAVZYOAU-MBNYWOFBSA-N 390.352 -2.219 5 30 GABC