smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCCCCCC[Si](Cl)(Cl)Cl 169746298 BNCXNUWGWUZTCN-UHFFFAOYSA-N 303.777 6.563 70 50 DKIA C[C@H]1[C@@H](B(Cl)[C@@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)C[C@H]2C[C@H]1C2(C)C 205905871 PSEHHVRCDVOTID-CEUUJNDPSA-N 320.757 6.361 70 50 DKIA C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C 169999265 PSEHHVRCDVOTID-VMAIWCPRSA-N 320.757 6.361 70 50 DKIA CCCCCCCCCCCCCCCCCC[SiH](C)C 170154644 ZXFNVHQEUQDKSZ-UHFFFAOYSA-N 312.658 7.735 70 50 DKIA CCCCCCCCCC[SiH2]CCCCCCCCCC 169818721 QECYXJYKQLIPQP-UHFFFAOYSA-N 312.658 7.273 70 50 DKIA COB([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 170159722 IAQXEQYLQNNXJC-NQWKWHCYSA-N 316.338 5.769 70 50 DKIA COB([C@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C)[C@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C 170154256 IAQXEQYLQNNXJC-BAMGFKBFSA-N 316.338 5.769 70 50 DKIA CC(C)[Si](Cl)(O[Si](Cl)(C(C)C)C(C)C)C(C)C 169743101 DDYAZDRFUVZBMM-UHFFFAOYSA-N 315.433 6.005 70 50 DKIA in-vitro COB([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 170172766 IAQXEQYLQNNXJC-JPDDNCELSA-N 316.338 5.769 70 50 DKIA COB([C@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 170159725 IAQXEQYLQNNXJC-OEHBCKNSSA-N 316.338 5.769 70 50 DKIA C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C 169743363 PSEHHVRCDVOTID-NAVXHOJHSA-N 320.757 6.361 70 50 DKIA C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C 196916033 PSEHHVRCDVOTID-YYNWCRCSSA-N 320.757 6.361 70 50 DKIA CCCCCCCCCC[SiH](c1ccccc1)c1ccccc1 169817717 VDROTMXTTMTQCR-UHFFFAOYSA-N 324.584 5.169 70 50 DKIA CCCCCCCCCCCCCCCCS(=O)(=O)Cl 85563273 YOSVFFVBSPQTTP-UHFFFAOYSA-N 324.958 6.036 70 50 DKIA IB(C1CCCCC1)C1CCCCC1 170154254 RWFGGTOYIFQXAO-UHFFFAOYSA-N 304.024 5.082 70 50 DKIA F[B-](F)(F)c1ccc(N(c2ccccc2)c2ccccc2)cc1 218893524 YVOWOGGSJVCBGI-UHFFFAOYSA-N 312.123 5.211 70 50 DKIA O=C(O)CCCCCCCCCCCCCBr 140965508 VQPWMWLQABFAIO-UHFFFAOYSA-N 307.272 5.147 70 50 DKIA C[C@@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C 204213457 PSEHHVRCDVOTID-ARHLZPJGSA-N 320.757 6.361 70 50 DKIA CCCCCC[Si](Cl)(CCCCCC)CCCCCC 170172040 WZQSBCHNVPAYOC-UHFFFAOYSA-N 319.049 7.912 70 50 DKIA CCCCCCCCCCCCCCCC[SiH2]CCCC 169817887 GXISTVBFPOBCFM-UHFFFAOYSA-N 312.658 7.273 70 50 DKIA