smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC1=CC2=C(C)C=CC2=C(C)CC1 218520768 GMAWSFXIELFLDC-UHFFFAOYSA-N 186.298 4.319 70 1 AIIF CCCC[Si](Cl)(CC)CC 196601236 BCEPTKBQFGPAIQ-UHFFFAOYSA-N 178.779 4.011 70 1 AIIF CCCCC[Si](Cl)(Cl)CC 196601216 GSWLBCMCTJVASW-UHFFFAOYSA-N 199.197 4.116 70 1 AIIF