smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CCl)COC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O[P@@](=O)(O)OP(=O)(O)O 33903474 SUOHVUDMBFAFKZ-QCNRFFRDSA-N 494.670 -1.786 70 10 JAIE Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)n(C)c1=O 218634804 WLBKLCCKGKFGCX-UHFFFAOYSA-N 451.451 -1.847 70 10 JAIE