smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NCCNCCNCc1cc(CNCCNCCN)c(O)c(CNCCNCCN)c1 33611230 UFHKHWHPROUYJH-UHFFFAOYSA-N 439.653 -2.694 10 30 IACC OCCN(CCO)Cc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1 31351375 XWRUCIJUEHCQDD-UHFFFAOYSA-N 445.557 -2.248 10 30 IACC [N-]=[N+]=N[C@@H]1[C@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O 223621636 UBCWCJNMBJROTN-SAINOKEESA-N 431.358 -3.710 10 30 IACC