smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCCCCSSCCCCC=C 101982458 SXBJZESYMYXPBU-UHFFFAOYSA-N 230.442 5.080 50 1 BKGF CCCC=CCSSCC=CCCC 1857600489 CJHBIXIZPKUSKE-UHFFFAOYSA-N 230.442 5.080 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@@H](/C(C)=C/C=C/C(C)C)CC1 238752084 MARLZIFXCZUGPF-WISJAUIHSA-N 231.383 5.013 50 1 BKGF CC(C)[Si](OC1CCCC1)(C(C)C)C(C)C 202467306 OWCHEOHZYPZKDW-UHFFFAOYSA-N 242.479 5.121 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@@H](/C(C)=C/CC=C(C)C)CC1 238757960 WSVYXSIFHUYKDX-BRRGMZCASA-N 231.383 5.157 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@H](/C(C)=C\C=C\C(C)C)CC1 299861859 MARLZIFXCZUGPF-ZBTJVNRRSA-N 231.383 5.013 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@H](/C(C)=C/C=C\C(C)C)CC1 238730821 MARLZIFXCZUGPF-BZGMHLHUSA-N 231.383 5.013 50 1 BKGF C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](Cl)[C@@H]12 144284695 UMQKTOOBIFCOKR-LJISPDSOSA-N 240.818 5.022 50 1 BKGF CCCCCCCC=C(C=O)CCCCCC 2356617793 RSBRHLFCWKXUSQ-UHFFFAOYSA-N 238.415 5.443 50 1 BKGF CCC/C=C/CSSC/C=C/CCC 1857614813 CJHBIXIZPKUSKE-FIFLTTCUSA-N 230.442 5.080 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@@H](C(=C)CCC=C(C)C)CC1 238733284 AUJRLJBMOPBACN-IYBDPMFKSA-N 231.383 5.157 50 1 BKGF [C-]#[N+][C@@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1 147284136 CSKXFQOQKCBFIG-HOTGVXAUSA-N 231.383 5.157 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@H](/C(C)=C/C=C/C(C)C)CC1 238787807 MARLZIFXCZUGPF-QGKUFRKNSA-N 231.383 5.013 50 1 BKGF CCCCCCCCCCCCC/C=C\C=O 85546812 KLJFYXOVGVXZKT-PFONDFGASA-N 238.415 5.443 50 1 BKGF [C-]#[N+][C@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1 140299364 CSKXFQOQKCBFIG-JKSUJKDBSA-N 231.383 5.157 50 1 BKGF [C-]#[N+][C@]1(C)CC[C@H](/C(C)=C\C=C\C(C)C)CC1 238787805 MARLZIFXCZUGPF-FNJJWMGGSA-N 231.383 5.013 50 1 BKGF [C-]#[N+]C1(C)CCC(/C(C)=C/CC=C(C)C)CC1 95912409 WSVYXSIFHUYKDX-RIYZIHGNSA-N 231.383 5.157 50 1 BKGF biogenic,in-vitro [C-]#[N+][C@]1(C)CC[C@H](/C(C)=C\C=C/C(C)C)CC1 238787803 MARLZIFXCZUGPF-WOWUETPMSA-N 231.383 5.013 50 1 BKGF