smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NS(=O)(=O)c1cc(C(=O)NN=Cc2cn(Cc3ccccc3)nc2-c2cccs2)ccc1Cl 916337984 JNLSINROEKIHFO-UHFFFAOYSA-N 500.005 3.725 50 20 KHGD O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNS(=O)(=O)c1ccc(Cl)cc1 916110104 XKQQFQZHLLSFAQ-UHFFFAOYSA-N 500.005 3.690 50 20 KHGD O=C1c2ccccc2C(=O)N1C[C@@H](Cl)CN(C[C@@H](Cl)CN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2=O)cc1 2048532168 LPZRJBDJCVOYEU-OYRHEFFESA-N 635.504 3.663 50 20 KHGD O=S(=O)(O)c1cccc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc(S(=O)(=O)O)c2)c1 117143703 YALRVEJWWPHFGT-UHFFFAOYSA-N 558.414 3.976 50 20 KHGD O=C(OC(c1ccccc1)c1ccccc1)C1=C(CCl)CO[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N12 196240457 JIZOONXWVOABDX-AJTFRIOCSA-N 502.954 3.809 50 20 KHGD CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)/C(=C\C=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 1083805068 VHWRERJXYWLJLF-YCQPTIOBSA-N 510.736 3.928 50 20 KHGD