smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@]1(O)C[C@@]2(O)c3c(c(C)cc(=O)n3C)C(=O)c3c(C)cc(=O)n1c32 217626221 WVPWAWQSZCUQGO-RBUKOAKNSA-N 356.378 0.403 70 1 FCIF Cc1nc(N)cc(OCCNC(=O)c2ccc(S(=O)(=O)F)cc2)n1 1857763676 DQEYWLJRFUBYFU-UHFFFAOYSA-N 354.363 0.834 70 1 FCIF CN1CC[C@]23C[C@]4(CC[C@@]2(O)[C@H]1Cc1ccc(O)cc13)NC(=O)NC4=O 218544566 GXINABXSESBSMP-DQEVTTJGSA-N 357.410 0.383 70 1 FCIF COc1c(OS(=O)(=O)O)cc2ccc(=O)oc2c1OS(=O)(=O)O 217456263 HUAIBSIZRVNMGI-UHFFFAOYSA-N 368.297 0.165 70 1 FCIF COc1ccc2c(c1)[C@]13CCN[C@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O 217691726 UOEMXILTUUKKEG-DQEVTTJGSA-N 357.410 0.344 70 1 FCIF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O 218536406 WEPPVPFZXWGORK-GEALJGNFSA-N 371.437 0.686 70 1 FCIF Nc1ncnc2c1ncn2CCOC(=O)c1ccc(S(=O)(=O)F)cc1 1857646004 AIKXDIFYOJHYOB-UHFFFAOYSA-N 365.346 0.924 70 1 FCIF