smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features F[B-](F)(F)C1CCC(F)(F)CC1 170016199 UOLAXOWZLHKBID-UHFFFAOYSA-N 186.940 3.413 70 40 AGIB Cc1ccccc1OCC1=CCC1 217792798 QJLMASYZBWIQJP-UHFFFAOYSA-N 174.243 3.094 70 40 AGIB C=C(CCCC)[B-](F)(F)F 306904682 UZYBXBIMGDUJIH-UHFFFAOYSA-N 150.960 3.119 70 40 AGIB CCCCCC[Si](F)(F)F 195991644 BMUUWIABEKSTNE-UHFFFAOYSA-N 170.250 3.414 70 40 AGIB C[C@H](C#N)CC[Si](C)(Cl)Cl 170013513 QXEHRYVMJYAQEG-LURJTMIESA-N 196.153 3.086 70 40 AGIB C=CCC[Si](C)(Cl)Cl 196551193 QYDLCVNCOWIUET-UHFFFAOYSA-N 169.127 3.112 70 40 AGIB CC(C)[Si](Cl)C(C)C 195816738 IGSUJBNDAWQLST-UHFFFAOYSA-N 149.717 3.037 70 40 AGIB Cc1cc2c(cc1C)[C@H](C)CCN2 217607206 RZBCATYIVMIGPD-MRVPVSSYSA-N 175.275 3.223 70 40 AGIB CC[C@H](C)C[Si](C)(C)Cl 199902227 AJNBBVTVDUXJNX-ZETCQYMHSA-N 164.752 3.476 70 40 AGIB Cc1cccc(OCC2=CCC2)c1 217792904 ISYNOZLLVPOAJZ-UHFFFAOYSA-N 174.243 3.094 70 40 AGIB C[C@@H](C#N)CC[Si](C)(Cl)Cl 170013516 QXEHRYVMJYAQEG-ZCFIWIBFSA-N 196.153 3.086 70 40 AGIB Cc1ccc(OCC2=CCC2)cc1 217793012 JOXYODSLRTVIAT-UHFFFAOYSA-N 174.243 3.094 70 40 AGIB CCCCCC[SiH](Cl)Cl 248265300 NYKYPUSQZAJABL-UHFFFAOYSA-N 185.170 3.265 70 40 AGIB CC(C)[Si](Cl)(Cl)Cl 195754332 GPWLZOISJZHVHX-UHFFFAOYSA-N 177.534 3.052 70 40 AGIB Cc1cc2c(cc1C)[C@@H](C)CCN2 217607293 RZBCATYIVMIGPD-QMMMGPOBSA-N 175.275 3.223 70 40 AGIB CC(C)C[SiH](Cl)CC(C)C 199868837 LVFFNMMFDNKFDK-UHFFFAOYSA-N 178.779 3.261 70 40 AGIB C[C@H](CCl)C[Si](C)(C)Cl 195766753 RMILLRSLWHOHQS-ZCFIWIBFSA-N 185.170 3.305 70 40 AGIB CCCCN=C=Nc1ccccc1 39264286 UHZVBFGPKDZMLV-UHFFFAOYSA-N 174.247 3.292 70 40 AGIB C[C@@H](CCl)C[Si](C)(C)Cl 195766754 RMILLRSLWHOHQS-LURJTMIESA-N 185.170 3.305 70 40 AGIB C[C@H]1CCC[C@@H]1[B-](F)(F)F 209652953 KUTFUMGUGAYMOE-WDSKDSINSA-N 150.960 3.024 70 40 AGIB F[B-](F)(F)Cc1ccccc1Cl 203432477 MHRXPOSZEFOIFF-UHFFFAOYSA-N 193.384 3.269 70 40 AGIB C[Si](F)(F)CC[Si](C)(F)F 169806116 UKGMQUJGUHYTHV-UHFFFAOYSA-N 190.288 3.008 70 40 AGIB CC[C@@H](C)C[Si](C)(C)Cl 199902199 AJNBBVTVDUXJNX-SSDOTTSWSA-N 164.752 3.476 70 40 AGIB C=CC[Si](Cl)(Cl)CC=C 195751671 VTEHVUWHCBXMPI-UHFFFAOYSA-N 181.138 3.278 70 40 AGIB