smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features F[B-](F)(F)C1=CCCCC1 169975515 DOBVFICVGYWCSU-UHFFFAOYSA-N 148.944 2.873 70 50 AFIA in-vitro Fc1cc(Cl)cc([B-](F)(F)F)c1 228870605 RQNATMWFNZVBGH-UHFFFAOYSA-N 197.347 2.534 70 50 AFIA CC[Si](C)(Cl)Cl 169743505 PNECSTWRDNQOLT-UHFFFAOYSA-N 143.089 2.556 70 50 AFIA CCC[Si](C)(C)Cl 169746941 HXVPUKPVLPTVCQ-UHFFFAOYSA-N 136.698 2.840 70 50 AFIA CC[Si](F)(CC)CC 169897784 QVMRVWAOMIXFFW-UHFFFAOYSA-N 134.270 2.961 70 50 AFIA in-vitro Cc1ccc(C[B-](F)(F)F)cc1 169965555 PTVNNKZECGYPJY-UHFFFAOYSA-N 172.966 2.924 70 50 AFIA C[Si](C)(Cl)[Si](C)(C)Cl 170172493 SFAZXBAPWCPIER-UHFFFAOYSA-N 187.218 2.953 70 50 AFIA in-vitro CC(C)(C)N=C=NC(C)(C)C 13493742 IDVWLLCLTVBSCS-UHFFFAOYSA-N 154.257 2.757 70 50 AFIA C[SiH](C)C1CCCCC1 170173236 SGKGLPDXRGGPCS-UHFFFAOYSA-N 142.318 2.807 70 50 AFIA F[B-](F)(F)CCCBr 230531542 KWXBHRMWMPOBPW-UHFFFAOYSA-N 189.791 2.619 70 50 AFIA C=CC[Si](C)(C)Br 170156545 TXEGFNIHBZYLTQ-UHFFFAOYSA-N 179.133 2.772 70 50 AFIA C[Si](C)(C)N=C=N[Si](C)(C)C 169743330 KSVMTHKYDGMXFJ-UHFFFAOYSA-N 186.407 2.830 70 50 AFIA F[B-](F)(F)C(F)(F)C(F)(F)F 169806072 ZXGDRPWPOZQRQY-UHFFFAOYSA-N 186.818 2.571 70 50 AFIA in-vitro C[Si](C)(C)CCOC[B-](F)(F)F 169806347 HVPVRVIQKHXLIM-UHFFFAOYSA-N 199.077 2.728 70 50 AFIA in-vitro C=CCCC[B-](F)(F)F 196261795 JJXQDYUFQNEOTM-UHFFFAOYSA-N 136.933 2.800 70 50 AFIA CC(C)[SiH](Cl)C(C)C 169743160 CGXYLRTYLIHXEE-UHFFFAOYSA-N 150.725 2.769 70 50 AFIA in-vitro F[B-](F)(F)COCC1CCCCC1 198026201 SOTGCERVKMZQSX-UHFFFAOYSA-N 195.013 2.970 70 50 AFIA Cc1cc(Cl)ccc1[B-](F)(F)F 203323788 HUMJDLATYVYYBC-UHFFFAOYSA-N 193.384 2.703 70 50 AFIA CCC[Si](C)(Cl)Cl 169743504 GNVPGBIHGALKRR-UHFFFAOYSA-N 157.116 2.946 70 50 AFIA F[B-](F)(F)Cc1ccccc1 169806177 XPWOXPAWEYKWCG-UHFFFAOYSA-N 158.939 2.616 70 50 AFIA in-vitro O=C1CCCCC[C@@H]1C[B-](F)(F)F 208327204 HGVYRGWCTIPOJC-SSDOTTSWSA-N 192.997 2.983 70 50 AFIA C=CC[Si](C)(Cl)Cl 169743190 YCEQUKAYVABWTE-UHFFFAOYSA-N 155.100 2.722 70 50 AFIA F[B-](F)(F)C1=CCOc2ccccc21 208327051 JEJGUMFIXVNQOF-UHFFFAOYSA-N 198.960 2.849 70 50 AFIA Fc1cccc(C[B-](F)(F)F)c1 169965570 IGRRWABRYLMEIS-UHFFFAOYSA-N 176.929 2.755 70 50 AFIA CC(C)[Si](C)(C)Cl 169743163 YCXVDEMHEKQQCI-UHFFFAOYSA-N 136.698 2.840 70 50 AFIA in-vitro CC(C)(C)[B-](F)(F)F 169965562 GIUAGEWCTPWNRG-UHFFFAOYSA-N 124.922 2.634 70 50 AFIA in-vitro F[B-](F)(F)c1cccc2ccccc12 169747229 XBAZCBXKJHPDPL-UHFFFAOYSA-N 194.972 2.894 70 50 AFIA in-vitro CCB(CC)OC(=O)C(C)(C)C 170154970 MHSAIHVCWXTSBN-UHFFFAOYSA-N 170.061 2.607 70 50 AFIA [N-]=[N+]=NCc1cccc([B-](F)(F)F)c1 169746129 QRIYVLZCCDYHGY-UHFFFAOYSA-N 199.952 2.551 70 50 AFIA in-vitro C/C(Br)=C/[B-](F)(F)F 200976485 YNSHRTIODWRHOE-IHWYPQMZSA-N 187.775 2.672 70 50 AFIA in-vitro C[Si](C)(C)[Si](C)(C)Cl 170156128 GJCAUTWJWBFMFU-UHFFFAOYSA-N 166.800 2.847 70 50 AFIA in-vitro C[Si](C)(Cl)C(Cl)Cl 169746775 OICVMMJHLFRGHF-UHFFFAOYSA-N 177.534 2.773 70 50 AFIA C[Si](C)(C)/C=C/[B-](F)(F)F 195847800 VSCLVSHIQQTBSO-SNAWJCMRSA-N 167.035 2.807 70 50 AFIA F[B-](F)(F)C1CCCC1 169748069 MPFWUGBFRDFQNJ-UHFFFAOYSA-N 136.933 2.778 70 50 AFIA in-vitro CC(=O)CCCC[B-](F)(F)F 196212047 JHWBZLPJPSXHSK-UHFFFAOYSA-N 166.959 2.593 70 50 AFIA in-vitro Fc1ccc(C[B-](F)(F)F)c(F)c1 203424006 JUPYERVDYMFVKD-UHFFFAOYSA-N 194.919 2.894 70 50 AFIA C[Si](Cl)(Cl)CCCl 170157313 DBWSTBGNSJEPFT-UHFFFAOYSA-N 177.534 2.775 70 50 AFIA CC(C)(C)OC(=O)CC[B-](F)(F)F 198026037 UVLUMHHDDWOQGG-UHFFFAOYSA-N 196.985 2.566 70 50 AFIA in-vitro C[SiH](C)CCc1ccccc1 170153589 RNNGWAAYFGGBOL-UHFFFAOYSA-N 164.324 2.716 70 50 AFIA F[B-](F)(F)Cc1cccs1 169965585 VUSUOXJAGSLJQD-UHFFFAOYSA-N 164.968 2.677 70 50 AFIA CN(C[B-](F)(F)F)C1CCCCC1 170162922 DIFVDKFONFIGBC-UHFFFAOYSA-N 194.029 2.638 70 50 AFIA C[SiH2]CCCCCC(Cl)Cl 205875265 CHBAMXPHCOMXFE-UHFFFAOYSA-N 199.197 2.986 70 50 AFIA F[B-](F)(F)c1ccc2ccccc2c1 169747226 PGWOQMZYKHEMGG-UHFFFAOYSA-N 194.972 2.894 70 50 AFIA in-vitro C[C@H](Cl)[Si](Cl)(Cl)Cl 169811062 CAPIMQICDAJXSB-UWTATZPHSA-N 197.952 2.808 70 50 AFIA Cl[Si]1(Cl)CCCC1 169794654 YMXGMEIYEGUXGT-UHFFFAOYSA-N 155.100 2.700 70 50 AFIA CCB(CC)CC 169743058 LALRXNPLTWZJIJ-UHFFFAOYSA-N 97.998 2.541 70 50 AFIA CC(C)(C)[SiH2]C(C)(C)C 170173059 ZLKSBZCITVUTSN-UHFFFAOYSA-N 144.334 2.592 70 50 AFIA in-vitro O=C1CCCCC[C@H]1C[B-](F)(F)F 208327164 HGVYRGWCTIPOJC-ZETCQYMHSA-N 192.997 2.983 70 50 AFIA Fc1cccc(C[B-](F)(F)F)c1F 203440645 RGXPAGZDMGEPOY-UHFFFAOYSA-N 194.919 2.894 70 50 AFIA C[Si](Cl)(Cl)CCCC#N 169743499 UIFBMBZYGZSWQE-UHFFFAOYSA-N 182.126 2.840 70 50 AFIA CCCC[B-](F)(F)F 170160414 UWOFMFGSQUDOTD-UHFFFAOYSA-N 124.922 2.634 70 50 AFIA Fc1ccc([B-](F)(F)F)cc1Cl 169746099 AUPZUZNROOOZRK-UHFFFAOYSA-N 197.347 2.534 70 50 AFIA in-vitro C[C@@H](Cl)[Si](Cl)(Cl)Cl 169811064 CAPIMQICDAJXSB-REOHCLBHSA-N 197.952 2.808 70 50 AFIA CCCCCCCS(=O)(=O)Cl 100608869 HXIUMEKDVYLMOK-UHFFFAOYSA-N 198.715 2.525 70 50 AFIA in-vitro F[B-](F)(F)CCC(F)(F)F 169806065 JIDGJECENJUDBJ-UHFFFAOYSA-N 164.865 2.786 70 50 AFIA in-vitro N#CCC[Si](Cl)(Cl)Cl 195751460 OLBGECWYBGXCNV-UHFFFAOYSA-N 188.517 2.555 70 50 AFIA in-vitro CC[C@@H](C)[B-](F)(F)F 170174266 RKDVBYXSBNCLII-SCSAIBSYSA-N 124.922 2.634 70 50 AFIA F[B-](F)(F)CC1CCC1 198026056 MBAFPUAAPMADLD-UHFFFAOYSA-N 136.933 2.634 70 50 AFIA C=CC[Si](Cl)(Cl)Cl 169743154 HKFSBKQQYCMCKO-UHFFFAOYSA-N 175.518 2.828 70 50 AFIA Fc1ccccc1C[B-](F)(F)F 169965589 YAIVZIUQYUKYJW-UHFFFAOYSA-N 176.929 2.755 70 50 AFIA in-vitro CC[Si](Cl)(Cl)Cl 169743162 ZOYFEXPFPVDYIS-UHFFFAOYSA-N 163.507 2.662 70 50 AFIA in-vitro [N-]=[N+]=NCc1ccccc1[B-](F)(F)F 169746143 OAZGJVFJLNHCKP-UHFFFAOYSA-N 199.952 2.551 70 50 AFIA in-vitro C=CC[Si](C)(C)Cl 169746711 KMVZWUQHMJAWSY-UHFFFAOYSA-N 134.682 2.616 70 50 AFIA in-vitro F[B-](F)(F)COCc1ccccc1 169806857 OJVBRSMROLIUDJ-UHFFFAOYSA-N 188.965 2.590 70 50 AFIA CC(C)(C)C[B-](F)(F)F 169806066 QTPPQFOHYQSDFX-UHFFFAOYSA-N 138.949 2.880 70 50 AFIA Cc1cc(C)c([B-](F)(F)F)c(C)c1 170167160 HTSNNNVJQDKLGV-UHFFFAOYSA-N 186.993 2.666 70 50 AFIA CCCCC#C[B-](F)(F)F 169956765 NBVDHASIUAQTKO-UHFFFAOYSA-N 148.944 2.567 70 50 AFIA in-vitro Fc1ccc(C[B-](F)(F)F)cc1 169965565 FBBXYGBIRNBUGE-UHFFFAOYSA-N 176.929 2.755 70 50 AFIA in-vitro C[Si](C)(Cl)CCCC#N 169743159 GPIARXZSVWTOMD-UHFFFAOYSA-N 161.708 2.734 70 50 AFIA CC[Si](Cl)(Cl)CC 169743189 BYLOHCRAPOSXLY-UHFFFAOYSA-N 157.116 2.946 70 50 AFIA in-vitro F[B-](F)(F)CCOc1ccccc1 203434217 KFIDUBWQNFUDSD-UHFFFAOYSA-N 188.965 2.913 70 50 AFIA in-vitro CC(C)=C(C)[B-](F)(F)F 170163073 JTFUUFMAODUSIK-UHFFFAOYSA-N 136.933 2.729 70 50 AFIA [N-]=[N+]=NCc1ccc([B-](F)(F)F)cc1 169746064 KHFFQKLOXSLLDO-UHFFFAOYSA-N 199.952 2.551 70 50 AFIA in-vitro COB1C2CCCC1CCC2 169875943 UNGDGQYONLTNJZ-UHFFFAOYSA-N 152.046 2.733 70 50 AFIA CC[C@H](C)[B-](F)(F)F 170174264 RKDVBYXSBNCLII-BYPYZUCNSA-N 124.922 2.634 70 50 AFIA CCC[B-]1(CCC)N=C(C)NC(C)=N1 195752827 PJALSAVLDYXLIX-UHFFFAOYSA-N 194.111 2.689 70 50 AFIA ClCC[Si](Cl)(Cl)Cl 195765142 FLPXNJHYVOVLSD-UHFFFAOYSA-N 197.952 2.881 70 50 AFIA