smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCOc1c([B-](F)(F)F)cc2ccccc2c1-c1c(OCOC)c([B-](F)(F)F)cc2ccccc12 198156467 STNXOFUCLXLGII-UHFFFAOYSA-N 508.032 5.734 70 20 KKID C[C@]12CCCc3cc(OS(=O)(=O)C(F)(F)F)ccc3[C@]1(Cc1ccccc1)CC[C@](O)(C(F)(F)F)C2 97973136 WBZOKQPMXWFKIJ-DNVJHFABSA-N 536.534 6.215 70 20 KKID O=Cc1cc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)ccc1OS(=O)(=O)C(F)(F)F 2332241114 LHQQQDVPKYGUBA-UHFFFAOYSA-N 508.517 6.735 70 20 KKID O=C(OC[C@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 164783764 WISFGQOOKBVKPD-QBHLCAJUSA-N 659.485 5.640 70 20 KKID O=Cc1cc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc(C=O)c1OS(=O)(=O)C(F)(F)F 2332241056 BQACLSFEWXMPHO-UHFFFAOYSA-N 536.527 6.547 70 20 KKID CCCc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)ccc1N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 97972400 CUHNFHKVOBTVCD-CABCVRRESA-N 542.545 6.388 70 20 KKID COC1=CC(=Pc2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)C(=C2C(OC)=CC(OC)=CC2=Pc2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)C(OC)=C1 2332237427 GIACLXMAVYFVQK-UHFFFAOYSA-N 772.944 10.527 70 20 KKID