smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CC[Si](C(C)C)(C(C)C)C(C)C 170172473 AKQHUJRZKBYZLC-UHFFFAOYSA-N 198.426 4.851 30 50 AJEA in-vitro C=C(C)CCCCCCCCC 1609595 SJVKHZYVCVKEGM-UHFFFAOYSA-N 168.324 4.703 30 50 AJEA CCCCCCCCCCC 1693211 RSJKGSCJYJTIGS-UHFFFAOYSA-N 156.313 4.537 30 50 AJEA endogenous,in-man C#CCCCCCCCCCCCC 2560574 DZEFNRWGWQDGTR-UHFFFAOYSA-N 194.362 4.931 30 50 AJEA CCCCCCC#CCCCCCC 2579233 AFNWSIIBAYUTTL-UHFFFAOYSA-N 194.362 4.931 30 50 AJEA CCCC/C=C/CCCCCC 2576966 ZOKYTRIEIDWYSG-PKNBQFBNSA-N 168.324 4.703 30 50 AJEA in-vitro CCCCCCCC1CCCCC1 1680056 MSTLSCNJAHAQNU-UHFFFAOYSA-N 182.351 4.927 30 50 AJEA C=CCCCCCCCCCC 1718715 CRSBERNSMYQZNG-UHFFFAOYSA-N 168.324 4.703 30 50 AJEA biogenic,in-man CC/C=C/CCCCCCCC 2539709 WLTSXAIICPDFKI-FNORWQNLSA-N 168.324 4.703 30 50 AJEA CCCCCCCCc1ccsc1 2159763 WQYWXQCOYRZFAV-UHFFFAOYSA-N 196.359 4.651 30 50 AJEA in-vitro CCCCCCCCC=C(C)C 100993466 SMDXUIYTBVHJNX-UHFFFAOYSA-N 168.324 4.703 30 50 AJEA CCCCCCCCCCCCF 2040783 YHYBNVZCQIDLSQ-UHFFFAOYSA-N 188.330 4.877 30 50 AJEA in-vitro CCCCCCCCCCCCC#N 1672897 WKJHMKQSIBMURP-UHFFFAOYSA-N 195.350 4.821 30 50 AJEA CCC/C=C/CCCCCCC 79185712 PHCKFVVLVZFFLU-VQHVLOKHSA-N 168.324 4.703 30 50 AJEA C=C1C[C@H]2CCCCCCC[C@@H](C1)C2 71786563 APTLAPONWYBZQC-OKILXGFUSA-N 192.346 4.703 30 50 AJEA CCCCCCCCCCCC 1531085 SNRUBQQJIBEYMU-UHFFFAOYSA-N 170.340 4.927 30 50 AJEA endogenous,in-man CCCCCCCCc1ccccc1 1596324 CDKDZKXSXLNROY-UHFFFAOYSA-N 190.330 4.590 30 50 AJEA