smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100121909 VKUQIBIIJYOHSC-UHFFFAOYSA-N 346.598 3.413 70 30 EGIC COc1cccc2c1c(S(=O)(=O)Cl)cn2C(=O)OC(C)(C)C 685945552 JMFXCUIPNZUUOG-UHFFFAOYSA-N 345.804 3.361 70 30 EGIC COC(=O)CC=P(c1ccccc1)(c1ccccc1)c1ccccc1 100058111 IAPCVVZLVISVMU-UHFFFAOYSA-N 348.382 3.346 70 30 EGIC Cc1cc(Br)c(S(=O)(=O)Cl)c(Br)c1 100650198 FBGKSJGHOOGMGU-UHFFFAOYSA-N 348.443 3.448 70 30 EGIC O=S(=O)(Cl)c1ccc(Br)c(OC(F)(F)F)c1 143601693 YOVYORRQGNNRNC-UHFFFAOYSA-N 339.516 3.275 70 30 EGIC Cc1cc(Br)c(S(=O)(=O)Cl)cc1Br 100444309 CPAWOFBDWQWEEC-UHFFFAOYSA-N 348.443 3.448 70 30 EGIC in-vitro CC(C)(C)OC(=O)N1CCCc2c1cccc2S(=O)(=O)Cl 382709118 WJTMZJPFQCLNBL-UHFFFAOYSA-N 331.821 3.302 70 30 EGIC O=S(=O)(Cl)Cc1ccc(Br)cc1Br 236019123 NSEVYRJASHZPQQ-UHFFFAOYSA-N 348.443 3.280 70 30 EGIC O=S(=O)(Cl)Cc1cccc(Br)c1Br 1535421248 ITQAHMGZFKDFAD-UHFFFAOYSA-N 348.443 3.280 70 30 EGIC O=S(=O)(Cl)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 88270547 FANRFUXTQYAXQR-JTQLQIEISA-N 325.213 3.215 70 30 EGIC in-vitro O=S(=O)(OC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F 100101736 GBUXWXWPNDHMRG-OLZOCXBDSA-N 347.358 3.173 70 30 EGIC O=S(=O)(Cl)c1cc(Cl)ccc1OC[C@H]1CCCCO1 88270550 FANRFUXTQYAXQR-SNVBAGLBSA-N 325.213 3.215 70 30 EGIC in-vitro O=S(=O)(Cl)c1scc(Br)c1Br 100440963 OLSYJMFARDELRE-UHFFFAOYSA-N 340.445 3.201 70 30 EGIC O=S(=O)(Cl)c1c(Br)cccc1OC(F)(F)F 616576223 PKVWFJNEAMHKAH-UHFFFAOYSA-N 339.516 3.275 70 30 EGIC