smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(F)/C=C/c1cccc2c1sc1ccccc12 1857565792 ZUAOSCXYMQURPP-CMDGGOBGSA-N 292.356 4.325 70 1 CIIF O=C(COc1ccc(-c2ccccc2)cc1)c1nccs1 217791640 VWEGEVVUALSCKZ-UHFFFAOYSA-N 295.363 4.072 70 1 CIIF CCCCC#Cc1ccccc1COC[B-](F)(F)F 198332615 FZQPIAFBZYYDEY-UHFFFAOYSA-N 269.095 4.132 70 3 CIIF COc1ccc2nc(-c3ccccc3)c(SC)nc2c1 216690375 XGIOVUJXOSKTFG-UHFFFAOYSA-N 282.368 4.027 70 1 CIIF Cc1ccc2[nH]c(-c3cccc4ccccc34)nc(=O)c2c1 217348933 LWVMTJROQGRWFL-UHFFFAOYSA-N 286.334 4.052 70 1 CIIF