smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)CC[C@@H](C)C[C@H](C)C(C)C 256496376 XTIADNINQBIUNR-MJBXVCDLSA-N 198.394 5.131 0 1 AKAF in-vitro CC[C@H](C)CC[C@H](C)C[C@@H](C)C(C)C 90414262 XTIADNINQBIUNR-MELADBBJSA-N 198.394 5.131 0 1 AKAF in-vitro CCCCCC[C@@H](C)C[C@@H](C)CCC 70454522 FNUQJWPIADDMRS-UONOGXRCSA-N 198.394 5.419 0 1 AKAF biogenic,in-vitro CCCCCC[C@@H](C)C(C)(C)CC 85972376 AVICXEDVKYYQCS-GFCCVEGCSA-N 184.367 5.029 0 1 AKAF endogenous,in-man CC/C=C/C(=C/C(C)=C/CCC)CC 169622539 WELYARNIAKLKDT-OBZGEHOJSA-N 192.346 5.035 0 1 AKAF CCCCCC[C@H](C)C[C@H](C)CCC 114358495 FNUQJWPIADDMRS-KGLIPLIRSA-N 198.394 5.419 0 1 AKAF in-vitro CC[C@H](C)CC[C@H](C)C[C@H](C)C(C)C 256496374 XTIADNINQBIUNR-IHRRRGAJSA-N 198.394 5.131 0 1 AKAF in-vitro CCCCC(CCCC)[C@@H](C)CC 78693899 MYBISLOUUPIYHV-LBPRGKRZSA-N 184.367 5.029 0 1 AKAF CCCCCC[C@H](C)CCCCC 86050518 GQIFTXJDMHDJFL-CYBMUJFWSA-N 184.367 5.173 0 1 AKAF CCCCCC[C@@H](C)CCCCC 86050516 GQIFTXJDMHDJFL-ZDUSSCGKSA-N 184.367 5.173 0 1 AKAF CCCCCC[C@H](C)C[C@@H](C)CCC 114358490 FNUQJWPIADDMRS-KBPBESRZSA-N 198.394 5.419 0 1 AKAF in-vitro CCCCCC[C@H](C)C(C)(C)CC 85972378 AVICXEDVKYYQCS-LBPRGKRZSA-N 184.367 5.029 0 1 AKAF endogenous,in-man CCCCCC[C@H](C)CCC=C(C)C 138609559 RQILLHDCUHIGST-AWEZNQCLSA-N 196.378 5.339 0 1 AKAF CC[C@H](C)CC[C@@H](C)C[C@@H](C)C(C)C 90414260 XTIADNINQBIUNR-BFHYXJOUSA-N 198.394 5.131 0 1 AKAF in-vitro CCCCCC[C@@H](C)CCC=C(C)C 138609409 RQILLHDCUHIGST-CQSZACIVSA-N 196.378 5.339 0 1 AKAF CCCCC(CCCC)[C@H](C)CC 78693906 MYBISLOUUPIYHV-GFCCVEGCSA-N 184.367 5.029 0 1 AKAF CCCCCC[C@@H](C)C[C@H](C)CCC 114358493 FNUQJWPIADDMRS-ZIAGYGMSSA-N 198.394 5.419 0 1 AKAF in-vitro