smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCC[C@@H](C)C[C@@H](C)CC 111329277 XZGJLSWBVWBSQT-UONOGXRCSA-N 198.394 5.419 30 1 AKEF CCCCC/C=C\CCCCCCC 78212021 BIODCQQZTGWGNH-QBFSEMIESA-N 196.378 5.483 30 1 AKEF CCC/C=C/CCCCCCCC 111341544 UJZLNVCZGZKIHR-VQHVLOKHSA-N 182.351 5.093 30 1 AKEF CCCCC=CCCCCCCCC 2356329102 SNIFAVVHRQZYGO-UHFFFAOYSA-N 196.378 5.483 30 1 AKEF CCCCCCC[C@@H](C)C[C@H](C)CC 111329281 XZGJLSWBVWBSQT-ZIAGYGMSSA-N 198.394 5.419 30 1 AKEF CCCC/C=C\CCCCCCC 80859325 VDFGUEPMNNLWOZ-LUAWRHEFSA-N 182.351 5.093 30 1 AKEF CCCCCCC[C@H](C)C[C@@H](C)CC 111329279 XZGJLSWBVWBSQT-KBPBESRZSA-N 198.394 5.419 30 1 AKEF CCCCC/C=C/CCCCCC 86002199 QHOMPCGOCNNMFK-ACCUITESSA-N 182.351 5.093 30 1 AKEF CCCCCCCC[C@H](C)CC(C)C 85642734 AFELDWXNIFIYOC-AWEZNQCLSA-N 198.394 5.419 30 1 AKEF endogenous,in-man CCCC/C=C/CCCCCCC 80859331 VDFGUEPMNNLWOZ-PKNBQFBNSA-N 182.351 5.093 30 1 AKEF CCC/C=C\CCCCCCCC 111341542 UJZLNVCZGZKIHR-CLFYSBASSA-N 182.351 5.093 30 1 AKEF CCCCCCC[C@H](C)C[C@H](C)CC 111329284 XZGJLSWBVWBSQT-KGLIPLIRSA-N 198.394 5.419 30 1 AKEF CCCCCCCC[C@@H](C)CC(C)C 85642730 AFELDWXNIFIYOC-CQSZACIVSA-N 198.394 5.419 30 1 AKEF endogenous,in-man CCC=CCCCCCCCCCC 2356285817 QKTFNIWYLYTNIS-UHFFFAOYSA-N 196.378 5.483 30 1 AKEF CC/C=C/CCCCCCCCCC 100886730 QKTFNIWYLYTNIS-FNORWQNLSA-N 196.378 5.483 30 1 AKEF