smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CBr)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)OC(=O)CBr 111904506 IBSHJWOQTULFBH-NAXOPYRSSA-N 424.038 -1.694 50 30 HAGC NNC(=O)CCN(CCC(=O)NN)CCN(CCC(=O)NN)CCC(=O)NN 103825367 PRSYGUNNFMZZES-UHFFFAOYSA-N 404.476 -4.890 50 30 HAGC O=c1ccn([C@@H]2C[C@H](O)[C@@H](COOO[P@@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 238791396 CJZNXVQYCCPWEQ-BBVRLYRLSA-N 420.160 -1.726 50 30 HAGC O=c1ccn([C@@H]2C[C@H](O)[C@H](COOO[P@@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 223510705 CJZNXVQYCCPWEQ-HAFWLYHUSA-N 420.160 -1.726 50 30 HAGC O=C(CBr)OC[C@H](OC(=O)CBr)[C@@H](O)[C@H](O)[C@H](O)CO 111904518 RFRGHFUMYKGXTJ-MLTZYSBQSA-N 424.038 -1.694 50 30 HAGC