smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(OC[C@H]1O[C@H](c2n[nH]c3c(O)ncnc23)[C@H](O)[C@@H]1O)c1ccc(S(=O)(=O)F)cc1 49766635 ZPZXWBIBLZBSTD-SEWBAHNZSA-N 454.392 -0.265 70 1 JBIF O=C(OC[C@H]1O[C@@H](c2n[nH]c3c(O)ncnc23)[C@H](O)[C@@H]1O)c1ccc(S(=O)(=O)F)cc1 49766633 ZPZXWBIBLZBSTD-QUAZDUCUSA-N 454.392 -0.265 70 1 JBIF CN=c1[nH]c2c(N)ncnc2n1[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O 1857553785 PKHVDJQAKQNAAY-XNIJJKJLSA-N 482.450 -0.994 70 1 JBIF Nc1ncnc2c1ncn2[C@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O 49771758 AQZGKOBMIMVGMG-VSBTWAGUSA-N 453.408 -0.457 70 1 JBIF