smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cl[Si](Cl)(Cl)[C@@H]1C[C@@H]2CC[C@H]1C2 216662510 FMUGJGVGEWHETE-DSYKOEDSSA-N 229.610 3.832 70 40 BHIB COc1ccccc1-c1cc(-c2ccco2)on1 216697881 PPOUOABGJWGDIE-UHFFFAOYSA-N 241.246 3.610 70 40 BHIB C=C(c1ccc(Cl)cc1)[B-](F)(F)F 306661792 SGSNHRIUZVTFIN-UHFFFAOYSA-N 205.395 3.740 70 40 BHIB c1ccc(Cn2ccc(-c3cccs3)n2)cc1 216691294 HDRRAXJDMHBWTR-UHFFFAOYSA-N 240.331 3.660 70 40 BHIB CC(C)c1cc(Br)cc([C@H](C)N)c1 217118187 MKNKDTKPJUCWIF-QMMMGPOBSA-N 242.160 3.592 70 40 BHIB C[C@@H]1CCNc2cc(C(F)(F)F)ccc21 217606431 CKPIEZAXWHCQJC-SSDOTTSWSA-N 215.218 3.625 70 40 BHIB Cc1ccccc1-n1ccc([C@H]2OCCS2)c1 216701616 HQLCBVHDKCBGSN-AWEZNQCLSA-N 245.347 3.548 70 40 BHIB Cl[Si](Cl)(Cl)[C@@H]1C[C@@H]2C=C[C@H]1C2 196150584 RDAOXVBXDCANBV-DSYKOEDSSA-N 227.594 3.608 70 40 BHIB CCC[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1 104071750 BJCWFXREZJMWPZ-SECBINFHSA-N 246.759 3.518 70 40 BHIB C[Si](Cl)(Cl)[C@@H]1C[C@H]2C=C[C@H]1C2 195766778 LYTATDHKONFXEH-BIIVOSGPSA-N 207.176 3.502 70 40 BHIB CCCN(CCC)c1ccc2nc(N)sc2c1 216849402 BEBZAOHRYFMEAQ-UHFFFAOYSA-N 249.383 3.505 70 40 BHIB [N-]=[N+]=NC(=O)c1cccc(-c2ccccc2F)c1 19872837 UONLFTUZRCBUAK-UHFFFAOYSA-N 241.225 3.943 70 40 BHIB C[Si](Cl)(Cl)[C@H]1C[C@H]2CC[C@@H]1C2 195766815 RUMWGOUWLFSDMR-RNJXMRFFSA-N 209.192 3.726 70 40 BHIB CSCCC(=O)OCCCC1CCCCC1 218546320 DRPAMWNRKDYACX-UHFFFAOYSA-N 244.400 3.643 70 40 BHIB CC(C)Nc1ncnc(Cl)c1-c1ccccc1 217694711 PXKTXUXPFVXNPD-UHFFFAOYSA-N 247.729 3.617 70 40 BHIB Cc1ccc(-n2ccc([C@H]3OCCS3)c2)cc1 216701839 FBEDVKOBXGPMQM-AWEZNQCLSA-N 245.347 3.548 70 40 BHIB Cc1ccc(-n2ccc([C@@H]3OCCS3)c2)cc1 216701792 FBEDVKOBXGPMQM-CQSZACIVSA-N 245.347 3.548 70 40 BHIB Cc1cccc(-n2ccc([C@@H]3OCCS3)c2)c1 216701684 CDWJKLRFBWELNI-CQSZACIVSA-N 245.347 3.548 70 40 BHIB FC1=C([B-](F)(F)F)[CH][CH-]C(C(F)(F)F)=C1 514260717 FGKHGLOFLRDHPR-UHFFFAOYSA-N 230.899 3.507 70 40 BHIB CC(C)(C)OC(=O)c1ccc(C(F)F)cc1 217073318 IEOVMWQTOBXOIJ-UHFFFAOYSA-N 228.238 3.580 70 40 BHIB C=CC[Si](Cl)(Cl)CCCCl 197211852 STFRHHCUWMNSIY-UHFFFAOYSA-N 217.599 3.721 70 40 BHIB Cc1ccccc1-n1ccc([C@@H]2OCCS2)c1 216701572 HQLCBVHDKCBGSN-CQSZACIVSA-N 245.347 3.548 70 40 BHIB Cc1cccc(-n2ccc([C@H]3OCCS3)c2)c1 216701732 CDWJKLRFBWELNI-AWEZNQCLSA-N 245.347 3.548 70 40 BHIB Cc1ccc(-c2cc(-c3ccco3)n[nH]2)cc1 216695589 FZACZCYFYIBKLY-UHFFFAOYSA-N 224.263 3.645 70 40 BHIB C[Si](Cl)(Cl)[C@@H]1C[C@H]2CC[C@@H]1C2 195766812 RUMWGOUWLFSDMR-XLPZGREQSA-N 209.192 3.726 70 40 BHIB C=Cc1ccc(C(=O)CC(C)(C)C)cc1 217469136 FAORMYNHWCZZPY-UHFFFAOYSA-N 202.297 3.949 70 40 BHIB C[Si](C)(Cl)CCCOc1ccccc1 169991478 CDZQZJKHGHWQJC-UHFFFAOYSA-N 228.795 3.899 70 40 BHIB N#CCCC[Si](Cl)(Cl)CCCC#N 169897869 CVFGRDOVEFUBES-UHFFFAOYSA-N 235.190 3.514 70 40 BHIB CC(C)CCCC(C)(C)Br 216817857 JHLRNINQTCYETH-UHFFFAOYSA-N 207.155 3.986 70 40 BHIB Cl[Si](Cl)(Cl)[C@H]1CC=CCC1 195761379 TTYRJPILQGWBOQ-LURJTMIESA-N 215.583 3.752 70 40 BHIB [N-]=[N+]=NC(=O)c1cccc2c1Cc1ccccc1-2 16982373 VUYDAOHLWAIXFE-UHFFFAOYSA-N 235.246 3.708 70 40 BHIB Cl[Si](Cl)(Cl)[C@H]1C[C@@H]2CC[C@H]1C2 169811054 FMUGJGVGEWHETE-VQVTYTSYSA-N 229.610 3.832 70 40 BHIB Cc1ccc(-c2cnc(-c3ccco3)[nH]2)cc1 216626396 UERVYJSPUNINHJ-UHFFFAOYSA-N 224.263 3.645 70 40 BHIB CCCNc1ncnc(Cl)c1-c1ccccc1 217687837 AQMLNJRYQGOWHW-UHFFFAOYSA-N 247.729 3.619 70 40 BHIB C[C@H]1CCNc2cc(C(F)(F)F)ccc21 217606516 CKPIEZAXWHCQJC-ZETCQYMHSA-N 215.218 3.625 70 40 BHIB C[C@H]1CC[C@@](C)(Br)C1(C)C 217715183 ZXJQISQGZAHQIG-IONNQARKSA-N 205.139 3.596 70 40 BHIB C[Si](C)(Cl)CCCCBr 196593384 DGXZVRXSRWQLID-UHFFFAOYSA-N 229.621 3.605 70 40 BHIB Cl[Si](Cl)(Cl)[C@H]1C[C@@H]2C=C[C@H]1C2 195848085 RDAOXVBXDCANBV-VQVTYTSYSA-N 227.594 3.608 70 40 BHIB CCC[C@H](C)c1ccc(S(=O)(=O)Cl)cc1 104071757 BJCWFXREZJMWPZ-VIFPVBQESA-N 246.759 3.518 70 40 BHIB F[B-](F)(F)CC1CCC(F)(F)CC1 238702273 PMHZSCWQAPXOAX-UHFFFAOYSA-N 200.967 3.659 70 40 BHIB F[B-](F)(F)/C=C\c1ccc(Br)cc1 196316394 LKOBKEVEXLGJPH-WAYWQWQTSA-N 249.846 3.849 70 40 BHIB C[Si](Cl)(Cl)[C@H]1C[C@H]2C=C[C@H]1C2 195766779 LYTATDHKONFXEH-FXQIFTODSA-N 207.176 3.502 70 40 BHIB Cc1cccc(-c2cc(-c3ccco3)n[nH]2)c1 216695525 ZAJWGOZXCNLLSU-UHFFFAOYSA-N 224.263 3.645 70 40 BHIB C[C@@H]1CCNc2ccc(C(F)(F)F)cc21 217606619 IFAGQZUSLUPKFG-SSDOTTSWSA-N 215.218 3.625 70 40 BHIB CC(C)(C)c1nc2ccc(-n3cccc3)cc2o1 216742522 UKFGWNNGWHINCA-UHFFFAOYSA-N 240.306 3.916 70 40 BHIB C=CCCCC[Si](Cl)(Cl)Cl 195993967 IHYCWJYGNRZAOB-UHFFFAOYSA-N 217.599 3.998 70 40 BHIB CCN1CCCCC[C@H]1CC(=O)c1ccccc1 217463372 ABKOAMNWNSUKMM-HNNXBMFYSA-N 245.366 3.524 70 40 BHIB F[B-](F)(F)/C=C/c1ccc(Br)cc1 169806291 LKOBKEVEXLGJPH-AATRIKPKSA-N 249.846 3.849 70 40 BHIB Cc1ccc(-c2cc(-c3cccnc3)on2)cc1 216781505 FMOPHBCBQXNYTG-UHFFFAOYSA-N 236.274 3.712 70 40 BHIB CC(C)c1cc(Br)cc([C@@H](C)N)c1 217118174 MKNKDTKPJUCWIF-MRVPVSSYSA-N 242.160 3.592 70 40 BHIB C[C@H]1CCNc2ccc(C(F)(F)F)cc21 217606691 IFAGQZUSLUPKFG-ZETCQYMHSA-N 215.218 3.625 70 40 BHIB [SiH3]CCCCCCCCCCCCl 238678890 VEDYDEQIDTZXRJ-UHFFFAOYSA-N 220.860 3.520 70 40 BHIB CC(C)c1nc2ccc(-n3cccc3)cc2o1 216742456 KLDDBWVXMGCCTH-UHFFFAOYSA-N 226.279 3.742 70 40 BHIB Cl[Si](Cl)(Cl)[C@@H]1CC=CCC1 195761378 TTYRJPILQGWBOQ-ZCFIWIBFSA-N 215.583 3.752 70 40 BHIB CCN1CCCCC[C@@H]1CC(=O)c1ccccc1 217463298 ABKOAMNWNSUKMM-OAHLLOKOSA-N 245.366 3.524 70 40 BHIB CCCc1ccc(C(=O)CCSC)cc1 159773814 DPZOTTYPRZSTLP-UHFFFAOYSA-N 222.353 3.575 70 40 BHIB CCCc1nc2ccc(-n3cccc3)cc2o1 216742388 XHYFEUXHARCPPE-UHFFFAOYSA-N 226.279 3.571 70 40 BHIB CSCCC(=O)c1cc(C)c(C)cc1C 160524791 WGTMFHPAYIAPIP-UHFFFAOYSA-N 222.353 3.548 70 40 BHIB Cc1ccccc1-c1cc(-c2ccco2)n[nH]1 216695462 OGJKUNQPPCNDRP-UHFFFAOYSA-N 224.263 3.645 70 40 BHIB [N-]=[N+]=NC(=O)Nc1cccc(C(F)(F)F)c1 16941446 KTAMIQXEDRMYJV-UHFFFAOYSA-N 230.149 3.548 70 40 BHIB CC(C)(c1ccccc1)[Si](C)(C)Cl 169748397 SUMFNCSNBLYOEK-UHFFFAOYSA-N 212.796 3.947 70 40 BHIB C(=Nc1ccccc1)=NC1CCCCC1 34562920 XZPRZECOHCTTRV-UHFFFAOYSA-N 200.285 3.825 70 40 BHIB COc1cc(C)c(C(=O)C(C)(C)C)cc1C 159782588 ZFEXKZCFWYEQJD-UHFFFAOYSA-N 220.312 3.541 70 40 BHIB Cc1ccc(-c2cc(-c3ccco3)on2)cc1 216697681 YGLGWGRQXZMELM-UHFFFAOYSA-N 225.247 3.910 70 40 BHIB