smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC[Si](Cl)(CCC)CCC 169743169 ACTAPAGNZPZLEF-UHFFFAOYSA-N 192.806 4.401 70 50 AIIA CCCCCCCC[B-](F)(F)F 170170586 MKNLWFGCAHBNES-UHFFFAOYSA-N 181.030 4.194 70 50 AIIA CCCCCC[Si](C)(C)Cl 169746388 JQYKSDDVPXVEOL-UHFFFAOYSA-N 178.779 4.011 70 50 AIIA in-vitro Cc1ccccc1C1=CC[C@@H](C)CC1 936069361 HCWXVKFRMDNZSS-LLVKDONJSA-N 186.298 4.198 70 50 AIIA CC(C)C1CCC([B-](F)(F)F)CC1 238113117 GVVJNRMXWKYDBS-UHFFFAOYSA-N 193.041 4.050 70 50 AIIA CC(C)[Si](Cl)(C(C)C)C(C)C 169743121 KQIADDMXRMTWHZ-UHFFFAOYSA-N 192.806 4.401 70 50 AIIA in-vitro CCCCCC[Si](C)(Cl)Cl 195766052 KKRMHVJQWMXYBZ-UHFFFAOYSA-N 199.197 4.116 70 50 AIIA Cc1ccccc1C1=CC[C@H](C)CC1 936069362 HCWXVKFRMDNZSS-NSHDSACASA-N 186.298 4.198 70 50 AIIA