smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCC(CCC)(CCC)CCC 2600018 ULEPZYFBCDJENO-UHFFFAOYSA-N 184.367 5.173 0 40 AKAB in-vitro CCCCC(=CC(C)(C)C)CCCC 1648371 QRCOUHPGHKPAHC-UHFFFAOYSA-N 196.378 5.339 0 40 AKAB C1CCCCCCCCCCCC1 90755240 UEVXKGPJXXDGCX-UHFFFAOYSA-N 182.351 5.071 0 40 AKAB CCCCC[C@H](C)CCCC(C)C 71789894 MFUPKUZLTKVMFM-ZDUSSCGKSA-N 184.367 5.029 0 40 AKAB C1CCCCCCCCCCCCC1 59585752 KATXJJSCAPBIOB-UHFFFAOYSA-N 196.378 5.461 0 40 AKAB endogenous,in-man CCCC=C(CCCC)CCCC 1716104 UKAAUKLRJKBIDI-UHFFFAOYSA-N 182.351 5.093 0 40 AKAB CCCCC[C@@H](C)CCCC(C)C 2564105 MFUPKUZLTKVMFM-CYBMUJFWSA-N 184.367 5.029 0 40 AKAB