smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC1CC([B-](F)(F)F)C1 199065930 ZNUZQYGSHBQBTB-UHFFFAOYSA-N 147.916 2.138 70 30 AEIC C=CCCCCCS(=O)(=O)Cl 236017235 YFSMBNAFXBLIMK-UHFFFAOYSA-N 196.699 2.301 70 30 AEIC CCOC(=O)[C@@H]1C[C@@]1(C)[B-](F)(F)F 217558764 NXGJWIVVJMRWNO-CAHLUQPWSA-N 194.969 2.177 70 30 AEIC CCC[C@@H](CC)S(=O)(=O)Cl 104543570 VGAVSZUJLYKYPO-ZCFIWIBFSA-N 184.688 2.134 70 30 AEIC in-vitro CC(C)C(C)(C)CS(=O)(=O)Cl 100550780 BUYBIZNSGFHMJB-UHFFFAOYSA-N 198.715 2.237 70 30 AEIC in-vitro Oc1ccc([B-](F)(F)F)cc1Cl 197278179 AYSHAFXLOHNOJT-UHFFFAOYSA-N 195.356 2.100 70 30 AEIC CC[Si](C)(C)F 195756822 FEVSKBNHAFDREP-UHFFFAOYSA-N 106.216 2.181 70 30 AEIC O=C1CCC[C@@H]([B-](F)(F)F)C1 498036333 AQGUTHHUCVFQPO-RXMQYKEDSA-N 164.943 2.347 70 30 AEIC Cc1ccc(C(=O)N=[N+]=[N-])o1 17108604 SPFITDQYUZWFMI-UHFFFAOYSA-N 151.125 2.039 70 30 AEIC in-vitro O=S(=O)(Cl)CCC1CCCC1 104547658 WNRZSSJJNUQKAX-UHFFFAOYSA-N 196.699 2.135 70 30 AEIC CCB(Cl)CC 195754504 PRJQLUNGZQZONS-UHFFFAOYSA-N 104.389 2.257 70 30 AEIC CCC(CC)CCS(=O)(=O)Cl 130267467 RLNNQLAAHXWWHW-UHFFFAOYSA-N 198.715 2.381 70 30 AEIC C[Si](Cl)(Cl)Br 195765586 PBMXZKQDGJMQQS-UHFFFAOYSA-N 193.931 2.428 70 30 AEIC C[C@@H](CS(=O)(=O)Cl)C(C)(C)C 106779720 FIHIWQISPMBNAT-LURJTMIESA-N 198.715 2.237 70 30 AEIC in-vitro F[B-](F)(F)CCCCl 196056161 JXKPODJJZPCBEC-UHFFFAOYSA-N 145.340 2.463 70 30 AEIC CC(=O)OCCC[Si](C)(C)Cl 195767166 IWCCPRNJFJRJEG-UHFFFAOYSA-N 194.734 2.384 70 30 AEIC O=S(=O)(Cl)CCCCC1CC1 669376836 WTAWFYBYFQCSCZ-UHFFFAOYSA-N 196.699 2.135 70 30 AEIC C[C@H](CS(=O)(=O)Cl)C(C)(C)C 106779723 FIHIWQISPMBNAT-ZCFIWIBFSA-N 198.715 2.237 70 30 AEIC in-vitro CCCC[C@@H](C)S(=O)(=O)Cl 106470138 TXMDDAIWDUEVBS-ZCFIWIBFSA-N 184.688 2.134 70 30 AEIC in-vitro FC(F)=PC(F)(F)F 111348877 OMJGOWSZBQAFCW-UHFFFAOYSA-N 149.986 2.479 70 30 AEIC CCOC(=O)CC1([B-](F)(F)F)CC1 2265381501 SSDAOHBSABYQRI-UHFFFAOYSA-N 194.969 2.321 70 30 AEIC CO[SiH](CC1CCCCC1)OC 195794016 XRLIOAUFFCHSIC-UHFFFAOYSA-N 188.343 2.080 70 30 AEIC N#CC1(C[B-](F)(F)F)CC1 2265378605 DGRYGGOVUMPXMJ-UHFFFAOYSA-N 147.916 2.138 70 30 AEIC CC(=O)c1ccc(C(F)(F)F)n1C 216717502 KKAKTPJEFPRAFX-UHFFFAOYSA-N 191.152 2.247 70 30 AEIC in-vitro [N-]=[N+]=NC(=O)c1ccc2n[nH]cc2c1 953126596 HTGJDJVIDZHANF-UHFFFAOYSA-N 187.162 2.013 70 30 AEIC COCCCC[B-](F)(F)F 228728890 AHZCUGCCDIHTFC-UHFFFAOYSA-N 154.948 2.260 70 30 AEIC CCOC(=O)[C@@H]1C[C@]1(C)[B-](F)(F)F 217558854 NXGJWIVVJMRWNO-FSPLSTOPSA-N 194.969 2.177 70 30 AEIC CCOCCC[B-](F)(F)F 203524254 WILDKJIEZNEEMR-UHFFFAOYSA-N 154.948 2.260 70 30 AEIC C=CC[Si](C)(C)O[SiH](C)C 199936109 CTNMKPBLAWERJI-UHFFFAOYSA-N 174.392 2.378 70 30 AEIC O=S(=O)(Cl)CCCC1CCC1 688884173 WBPRJSUIGLFYHT-UHFFFAOYSA-N 196.699 2.135 70 30 AEIC COCC[Si](C)(Cl)Cl 195769153 CNKBKCGUSXCEJQ-UHFFFAOYSA-N 173.115 2.182 70 30 AEIC CC1(C)CC[C@H](S(=O)(=O)Cl)C1 149988999 KURUHBLFCAQHGK-LURJTMIESA-N 196.699 2.134 70 30 AEIC O=S(=O)(Cl)C1=CCCCC1 145079462 IBKAHKCPHXDMTN-UHFFFAOYSA-N 180.656 2.013 70 30 AEIC in-vitro CC(C)CC[C@@H](C)S(=O)(=O)Cl 88251218 VZYKPQRSKUVHQX-SSDOTTSWSA-N 198.715 2.380 70 30 AEIC CC(C)CC[C@H](C)S(=O)(=O)Cl 88251220 VZYKPQRSKUVHQX-ZETCQYMHSA-N 198.715 2.380 70 30 AEIC CCCCO[B-](F)(F)F 238232008 QHVSUPHMSFOLPF-UHFFFAOYSA-N 140.921 2.147 70 30 AEIC CC(C)C[C@@H](C)CS(=O)(=O)Cl 106779714 BIZSAASKRJUBBN-SSDOTTSWSA-N 198.715 2.237 70 30 AEIC CCC(C)(C)CCS(=O)(=O)Cl 584879884 IVLOMAGATQDKQC-UHFFFAOYSA-N 198.715 2.381 70 30 AEIC in-vitro C/C=C\C[B-](F)(F)F 195941312 ZIEHKTGXSQCVOA-IHWYPQMZSA-N 122.906 2.410 70 30 AEIC CC(C)(C)CCCS(=O)(=O)Cl 106626918 DEVIWAYOANATKM-UHFFFAOYSA-N 198.715 2.381 70 30 AEIC in-vitro CCCC[C@H](C)S(=O)(=O)Cl 106470140 TXMDDAIWDUEVBS-LURJTMIESA-N 184.688 2.134 70 30 AEIC in-vitro O=C1CCC[C@H]([B-](F)(F)F)C1 498036334 AQGUTHHUCVFQPO-YFKPBYRVSA-N 164.943 2.347 70 30 AEIC CC1CCC(S(=O)(=O)Cl)CC1 100647320 BJYALKVVPOIVFB-UHFFFAOYSA-N 196.699 2.134 70 30 AEIC CN(C)Cc1ccc2[nH]ccc2c1 218337257 DWLHRRNZBOFOJP-UHFFFAOYSA-N 174.247 2.230 70 30 AEIC O=C1C[C@H]([B-](F)(F)F)C12CCC2 2265385202 PEPTZUIRKKXRKB-YFKPBYRVSA-N 176.954 2.347 70 30 AEIC CC(C)C[C@H](C)CS(=O)(=O)Cl 106779716 BIZSAASKRJUBBN-ZETCQYMHSA-N 198.715 2.237 70 30 AEIC CC(C)C[B-](F)(F)F 197980465 RAWWOOQWKNACIF-UHFFFAOYSA-N 124.922 2.490 70 30 AEIC CCN(CC)[Si](C)(C)Cl 195857026 ZIROUBWXASUXCS-UHFFFAOYSA-N 165.740 2.269 70 30 AEIC CC1(C)CC[C@@H](S(=O)(=O)Cl)C1 149989217 KURUHBLFCAQHGK-ZCFIWIBFSA-N 196.699 2.134 70 30 AEIC O=C1C[C@@H]([B-](F)(F)F)C12CCC2 2265385201 PEPTZUIRKKXRKB-RXMQYKEDSA-N 176.954 2.347 70 30 AEIC CCC[C@H](CC)S(=O)(=O)Cl 104543576 VGAVSZUJLYKYPO-LURJTMIESA-N 184.688 2.134 70 30 AEIC in-vitro