smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1 39392021 YGNUPJXMDOFFDO-UHFFFAOYSA-N 245.325 5.097 0 50 BKAA in-vitro CC1=CCCC(C)=CCCC(C)=CCC1 2571326 XOTMHDVYZZBKEJ-UHFFFAOYSA-N 204.357 5.180 0 50 BKAA CCCCCc1ccc(-c2ccc(C)cc2)cc1 59796871 ZGBOHJUSTPZQPL-UHFFFAOYSA-N 238.374 5.395 0 50 BKAA CC(C)c1ccc2ccc(C(C)C)cc2c1 2567291 YGDMAJYAQCDTNG-UHFFFAOYSA-N 212.336 5.087 0 50 BKAA in-vitro CCCCC[C@H]1CC[C@H](c2ccc(F)cc2)CC1 245189327 VCIVJVKSOMDCMN-SHTZXODSSA-N 248.385 5.680 0 50 BKAA c1ccc(Nc2cccc(-c3ccccc3)c2)cc1 44069168 QJAYWJUCAONYLG-UHFFFAOYSA-N 245.325 5.097 0 50 BKAA in-vitro CCc1c(CC)c(CC)c(CC)c(CC)c1CC 1672860 LXSMILGNHYBUCG-UHFFFAOYSA-N 246.438 5.061 0 50 BKAA biogenic Cc1cc(C2CCC(C)(C)CC2)ccc1Cl 1857775568 VTDIXWBNGSIHLU-UHFFFAOYSA-N 236.786 5.332 0 50 BKAA C(=C/c1ccc2ccccc2c1)\c1ccccc1 2066580 AXGWOAHWOMYXLE-ZHACJKMWSA-N 230.310 5.010 0 50 BKAA CCC[C@H]1CC[C@H](c2ccc(OCC)cc2)CC1 245189303 OXBRRUNAAVNTOZ-SHTZXODSSA-N 246.394 5.159 0 50 BKAA in-vitro CC1=CCCC=C(C)CCC(C)=CCC1 2169439 DRDYICOUDVAVGE-UHFFFAOYSA-N 204.357 5.180 0 50 BKAA CC(C)=C1[C@H]2C=C[C@H]1c1c(C)c(C)c(C)c(C)c12 101010155 WVDIDPSUSKSMSU-HUUCEWRRSA-N 238.374 5.007 0 50 BKAA C=CCC1(CC=C)c2ccccc2-c2ccccc21 113091113 CYIHFQGZMRVBPF-UHFFFAOYSA-N 246.353 5.105 0 50 BKAA Clc1ccc(/C=C/C=C/c2ccccc2)cc1 2023321 LASZRNUFCYQISX-KBXRYBNXSA-N 240.733 5.067 0 50 BKAA Cc1ccc(/C=C/C=C/c2ccc(C)cc2)cc1 3075469 KGLYHHCCIBZMLN-GGWOSOGESA-N 234.342 5.030 0 50 BKAA CCCC/C=C/CCCCCCCCCCO 5509933 RHVMNRHQWXIJIS-AATRIKPKSA-N 240.431 5.236 0 50 BKAA in-vitro CC[C@@H](C)CCCCCCCCCCC(=O)O 2037243 XKLJLHAPJBUBNL-CQSZACIVSA-N 242.403 5.018 0 50 BKAA biogenic,in-vitro Cc1ccc(/C=C\c2ccccc2)c2ccccc12 96834867 TXBVIPPORYAHLK-OWBHPGMISA-N 244.337 5.319 0 50 BKAA CC(C)(C)CP(C(C)(C)C)C(C)(C)C 60290815 JBGICSFDKZAWFJ-UHFFFAOYSA-N 216.349 5.111 0 50 BKAA C1=C\CC/C=C\[C@H]([C@@H]2/C=C\C=C/CC/C=C\2)\C=C/1 101036866 IIVRRDBMMPZJHT-URTRIQGZSA-N 238.374 5.144 0 50 BKAA CCCCC[C@H]1CC[C@H](c2ccc(O)cc2)CC1 242648303 QRAZRBGYBYIGRL-SHTZXODSSA-N 246.394 5.246 0 50 BKAA c1ccc(-c2cccc(-c3ccccc3)c2)cc1 1866998 YJTKZCDBKVTVBY-UHFFFAOYSA-N 230.310 5.021 0 50 BKAA in-vitro Clc1ccccc1/C=C/c1ccccc1Cl 1665673 BMKLYZMBVCMYON-MDZDMXLPSA-N 249.140 5.164 0 50 BKAA C(=Cc1cccc2ccccc12)c1ccccc1 1857787926 QAVDMWIHZMXKFR-UHFFFAOYSA-N 230.310 5.010 0 50 BKAA CC(C)c1ccc(-c2ccc(C(C)C)cc2)cc1 2584480 NUEUMFZLNOCRCQ-UHFFFAOYSA-N 238.374 5.600 0 50 BKAA c1ccc([C@H]2CCC[C@@H](C3CCCCC3)C2)cc1 2386947 ONQUBGYEUGJCEM-ZWKOTPCHSA-N 242.406 5.541 0 50 BKAA CCCC1CCC(c2ccc(OCC)cc2)CC1 3107604 OXBRRUNAAVNTOZ-UHFFFAOYSA-N 246.394 5.159 0 50 BKAA c1ccc2c(c1)Nc1ccccc1-c1ccccc1-2 34456269 IMXOMGSWKLUAPZ-UHFFFAOYSA-N 243.309 5.078 0 50 BKAA c1ccc(-c2ccc(-c3ccccc3)s2)cc1 1995308 HWKZNRABKQDKTC-UHFFFAOYSA-N 236.339 5.082 0 50 BKAA in-vitro C[Si](C)(C)C1=CCCCCCCCCCC1 254313470 ZHSHUYXMYOFXSP-UHFFFAOYSA-N 238.491 5.705 0 50 BKAA CC(C)=CCC/C(C)=C/CSc1ccccc1 3132394 RLSYOJADJMZUSA-NTCAYCPXSA-N 246.419 5.471 0 50 BKAA C/C1=C/CC/C(C)=C/CC/C(C)=C/CC1 71782856 XOTMHDVYZZBKEJ-DUGWGHSZSA-N 204.357 5.180 0 50 BKAA CC1=CCC[C@H](C)/C1=C/C1([Si](C)(C)C)CC1 169828823 KEOYOTQSDRSSST-UQRISPGASA-N 234.459 5.161 0 50 BKAA CC(C)c1cc(C(C)C)c(C(C)C)cc1C(C)C 1574351 ROXLYQQDLJJEBE-UHFFFAOYSA-N 246.438 6.180 0 50 BKAA biogenic CC(C)[C@@H](C)[BH-]([C@H](C)C(C)C)[C@H](C)C(C)C 256091383 WEMZNXXSUITKED-RBSFLKMASA-N 225.249 5.352 0 50 BKAA Clc1ccc(-c2cccc3ccccc23)cc1 78041108 KDZHAPVFPLIUEB-UHFFFAOYSA-N 238.717 5.160 0 50 BKAA C1=C[C@H]([C@@H]2C=CCCCCC2)CCCCC1 104291169 VGYVBUFJSVPMOO-IYBDPMFKSA-N 218.384 5.259 0 50 BKAA c1cc2ccc1CCCCCCCCCCCC2 71785832 SNTQYYKABHQQDG-UHFFFAOYSA-N 244.422 5.686 0 50 BKAA C[C@H](S[C@@H](C)c1ccccc1)c1ccccc1 1693906 NTKXWHALINJHQX-KBPBESRZSA-N 242.387 5.242 0 50 BKAA in-vitro CC(C)c1ccc2cc(C(C)C)ccc2c1 1655713 GWLLTEXUIOFAFE-UHFFFAOYSA-N 212.336 5.087 0 50 BKAA in-man CC(C)c1cc(C(C)C)cc(C(C)C)c1 1595388 VUMCUSHVMYIRMB-UHFFFAOYSA-N 204.357 5.057 0 50 BKAA biogenic,in-vitro CCCCCP(CCCCC)N(CC)CC 2810055 NUDOLKGOPDBLLV-UHFFFAOYSA-N 245.391 5.106 0 50 BKAA Clc1ccc(/C=C/c2ccc(Cl)cc2)cc1 1665675 WELCIURRBCOJDX-OWOJBTEDSA-N 249.140 5.164 0 50 BKAA C1CCC(P(C2CCCC2)C2CCCC2)C1 2562321 DHWBYAACHDUFAT-UHFFFAOYSA-N 238.355 5.296 0 50 BKAA C1=C(n2c3ccccc3c3ccccc32)CCCC1 2871074 BAQWIACLNYYJRJ-UHFFFAOYSA-N 247.341 5.209 0 50 BKAA CC[Si](CC)(CC)[Si](CC)(CC)CC 169817787 XEJUFRSVJVTIFW-UHFFFAOYSA-N 230.544 5.082 0 50 BKAA in-vitro CC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2166530 YFHFHLSMISYUAQ-CABCVRRESA-N 212.421 5.665 0 50 BKAA biogenic,in-vitro CCC[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1 263589192 GHOUEKQRKXYGHJ-HAQNSBGRSA-N 238.321 5.039 0 50 BKAA in-vitro CCP(C1CCCCC1)C1CCCCC1 59787641 DPOGTJDEMBEUSH-UHFFFAOYSA-N 226.344 5.154 0 50 BKAA CC(C)[C@]1(C)[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 253608051 QNKXOBXVYUQLSV-UYVKZUBASA-N 234.427 5.275 0 50 BKAA CCC(CC)=C(c1ccccc1)c1ccccc1 71787026 UZAIYXVPATZZCR-UHFFFAOYSA-N 236.358 5.309 0 50 BKAA CCCCCC1CCC(c2ccc(O)cc2)CC1 2568194 QRAZRBGYBYIGRL-UHFFFAOYSA-N 246.394 5.246 0 50 BKAA CC1=CCCC(C)=CCC(C)(C)C=CC1 253666771 FAMPSKZZVDUYOS-UHFFFAOYSA-N 204.357 5.035 0 50 BKAA in-vitro,metabolite CCCCC(c1ccccc1)c1ccccc1 2168576 GSGNVNZDHCKRGI-UHFFFAOYSA-N 224.347 5.009 0 50 BKAA C1=C\CCCCCC/C=C\CCCCCC/1 57988199 QCSDLMPAQMQZOE-QSWGICILSA-N 220.400 5.794 0 50 BKAA Cc1ccc(Nc2ccc3ccccc3c2)c(C)c1 5330662 KDJRVLGXWGUKJY-UHFFFAOYSA-N 247.341 5.200 0 50 BKAA CCC/C=C\C=C\CCCCCCCCCO 5964866 CIVIWCVVOFNUST-SCFJQAPRSA-N 238.415 5.012 0 50 BKAA in-vitro CC(C)[C@]1(C)[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 253608049 QNKXOBXVYUQLSV-MTSZKFMLSA-N 234.427 5.275 0 50 BKAA CCCC[C@H](CC)CNC[C@@H](CC)CCCC 1680854 SAIKULLUBZKPDA-HOTGVXAUSA-N 241.463 5.009 0 50 BKAA biogenic,in-vitro CC(C)(C)c1ccc2ccc(C(C)(C)C)cc2c1 2173584 IHRUNSCACKKOPP-UHFFFAOYSA-N 240.390 5.435 0 50 BKAA in-vitro CC(C)(C)c1ccc(Sc2ccccc2)cc1 21303127 KGRAEJDVHXHGSQ-UHFFFAOYSA-N 242.387 5.135 0 50 BKAA in-vitro c1ccc([C@@H]2CCC[C@H](C3CCCCC3)C2)cc1 57990129 ONQUBGYEUGJCEM-MSOLQXFVSA-N 242.406 5.541 0 50 BKAA CC[C@H](C)CCCCCCCCCCC(=O)O 2037244 XKLJLHAPJBUBNL-AWEZNQCLSA-N 242.403 5.018 0 50 BKAA biogenic,in-vitro C[C@H]1CCCCCCCCCCCCC(=O)C1 4269345 ALHUZKCOMYUFRB-HNNXBMFYSA-N 238.415 5.277 0 50 BKAA endogenous,in-man C[Si](C)(C)/C1=C/CCCCCCCCCC1 169827614 ZHSHUYXMYOFXSP-FYWRMAATSA-N 238.491 5.705 0 50 BKAA CC[C@H](C)CCC[C@@H](C)CCCC(C)C 2166531 YFHFHLSMISYUAQ-GJZGRUSLSA-N 212.421 5.665 0 50 BKAA biogenic,in-vitro CC(C)c1cc(C(C)C)c([C@@H](C)O)c(C(C)C)c1 38272899 VYKPQIIFUMKNLF-CYBMUJFWSA-N 248.410 5.110 0 50 BKAA CC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 1081484 SGRDDUKVLKWIBZ-UHFFFAOYSA-N 246.394 5.259 0 50 BKAA C1=C[C@H]([C@H]2C=CCCCCC2)CCCCC1 71785890 VGYVBUFJSVPMOO-HOTGVXAUSA-N 218.384 5.259 0 50 BKAA C1=C[C@@H]([C@@H]2C=CCCCCC2)CCCCC1 104291166 VGYVBUFJSVPMOO-HZPDHXFCSA-N 218.384 5.259 0 50 BKAA c1ccc([C@@H]2CCC[C@@H](C3CCCCC3)C2)cc1 57990135 ONQUBGYEUGJCEM-QZTJIDSGSA-N 242.406 5.541 0 50 BKAA CCCCCC1CCC(c2ccc(N)cc2)CC1 2022854 VZNOQDBONACMDT-UHFFFAOYSA-N 245.410 5.123 0 50 BKAA CC1(C)c2ccccc2-c2c1ccc1ccccc21 201683797 SJVOYVUTRSZMKW-UHFFFAOYSA-N 244.337 5.146 0 50 BKAA in-vitro C1=CCCC=C[C@@H]([C@H]2C=CC=CCCC=C2)C=C1 254379716 IIVRRDBMMPZJHT-ROUUACIJSA-N 238.374 5.144 0 50 BKAA CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CC)CC2)CC1 144384271 KORMYSCDCHFFMN-HMQPTBHHSA-N 236.443 5.809 0 50 BKAA CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 2077478 GUFMBISUSZUUCB-UHFFFAOYSA-N 246.438 5.579 0 50 BKAA in-vitro C1=CCCCCCCC=CCCCCCC1 256090707 QCSDLMPAQMQZOE-UHFFFAOYSA-N 220.400 5.794 0 50 BKAA CCCCCC(CCCCC)c1ccccn1 1587749 OUJFNECPOCDSMV-UHFFFAOYSA-N 233.399 5.326 0 50 BKAA CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1 1592372 TZGXZNWUOXLMFL-UHFFFAOYSA-N 240.390 5.435 0 50 BKAA in-vitro c1ccc(Oc2ccccc2-c2ccccc2)cc1 1693795 UHJWZORSTYATLW-UHFFFAOYSA-N 246.309 5.146 0 50 BKAA biogenic C/C1=C/CC/C=C(/C)CC/C(C)=C\CC1 71782944 DRDYICOUDVAVGE-MSKXPCFJSA-N 204.357 5.180 0 50 BKAA CCCC[C@@H](CC)CNC[C@H](CC)CCCC 1680855 SAIKULLUBZKPDA-HZPDHXFCSA-N 241.463 5.009 0 50 BKAA biogenic,in-vitro CCCC[C@H](CC)CNC[C@H](CC)CCCC 1680856 SAIKULLUBZKPDA-IYBDPMFKSA-N 241.463 5.009 0 50 BKAA biogenic,in-vitro C1=C\CC/C=C\[C@@H]([C@H]2/C=C\C=C/CC/C=C\2)\C=C/1 101036860 IIVRRDBMMPZJHT-NLDBEAQYSA-N 238.374 5.144 0 50 BKAA C[C@@H](S[C@H](C)c1ccccc1)c1ccccc1 1693909 NTKXWHALINJHQX-ZIAGYGMSSA-N 242.387 5.242 0 50 BKAA in-vitro Cc1ccccc1-c1ccc(-c2ccccc2)cc1 2173382 KSCKDOYDPGLDKS-UHFFFAOYSA-N 244.337 5.329 0 50 BKAA c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 1693796 GPOYJVWXGJBMOK-UHFFFAOYSA-N 246.309 5.146 0 50 BKAA in-vitro c1csc(-c2ccc(-c3cccs3)s2)c1 109841 KXSFECAJUBPPFE-UHFFFAOYSA-N 248.397 5.205 0 50 BKAA biogenic,in-vitro Cc1ccc(C)c(/C=C/c2cc(C)ccc2C)c1 71787059 WELLRJIWOYUIFH-MDZDMXLPSA-N 236.358 5.091 0 50 BKAA CC(C)(C)P(C1CCCCC1)C(C)(C)C 2581130 HFFHNJKBAYQARL-UHFFFAOYSA-N 228.360 5.398 0 50 BKAA Cc1ccc(C)c(/C=C\c2cc(C)ccc2C)c1 71787058 WELLRJIWOYUIFH-KTKRTIGZSA-N 236.358 5.091 0 50 BKAA C1=CCCC=C[C@H]([C@@H]2C=CC=CCCC=C2)C=C1 254379714 IIVRRDBMMPZJHT-QZTJIDSGSA-N 238.374 5.144 0 50 BKAA C[C@@H](CC(C)(C)C)CC(C)(C)CC(C)(C)C 1708387 VCLJODPNBNEBKW-ZDUSSCGKSA-N 226.448 5.911 0 50 BKAA in-vitro C1=C(C2CCCCC2)CCC(C2CCCCC2)=C1 2165656 BOEOHIDJUYBLPZ-UHFFFAOYSA-N 244.422 5.794 0 50 BKAA C[C@H](S[C@H](C)c1ccccc1)c1ccccc1 14807018 NTKXWHALINJHQX-OKILXGFUSA-N 242.387 5.242 0 50 BKAA in-vitro c1ccc([C@H]2CCC[C@H](C3CCCCC3)C2)cc1 57990131 ONQUBGYEUGJCEM-ROUUACIJSA-N 242.406 5.541 0 50 BKAA c1cc(-c2ccc(-c3ccsc3)s2)cs1 480815 OQKJYJOKTGKIRJ-UHFFFAOYSA-N 248.397 5.205 0 50 BKAA in-vitro CCCCCc1ccc(-c2ccccc2)cc1 2166900 IFUOTAQBVGAZPR-UHFFFAOYSA-N 224.347 5.086 0 50 BKAA in-vitro c1ccc(-c2cscc2-c2ccccc2)cc1 1752860 FQEARRSVYWPYFN-UHFFFAOYSA-N 236.339 5.082 0 50 BKAA C(=C/Sc1ccccc1)\Sc1ccccc1 33845082 UHGSEDVQATYWGI-VAWYXSNFSA-N 244.384 5.042 0 50 BKAA in-vitro CCCCCCC(O)(CCC)CCCCCC 71773135 LRXXCXICGRGDNX-UHFFFAOYSA-N 242.447 5.458 0 50 BKAA C1=CCCC=C[C@@H]([C@@H]2C=CC=CCCC=C2)C=C1 254379711 IIVRRDBMMPZJHT-HDICACEKSA-N 238.374 5.144 0 50 BKAA CCc1cccc2c1sc1c(CC)cccc12 2571304 UMQGGSYHJPHWFV-UHFFFAOYSA-N 240.371 5.179 0 50 BKAA C=C/C(C)=C/C/C=C(\C)CCC=C(C)C 1531529 CXENHBSYCFFKJS-VDQVFBMKSA-N 204.357 5.202 0 50 BKAA endogenous,in-man CC(C)(C)C1CCC(c2ccccc2)CC1 71786506 IFXCOYNVCPQJIP-UHFFFAOYSA-N 216.368 5.007 0 50 BKAA Cc1ccc2ccccc2c1C1=CCCCC1 3132413 NHOMNXPLUQRNCR-UHFFFAOYSA-N 222.331 5.106 0 50 BKAA C[C@H](CC(C)(C)C)CC(C)(C)CC(C)(C)C 2534753 VCLJODPNBNEBKW-CYBMUJFWSA-N 226.448 5.911 0 50 BKAA in-vitro CC1(C)C(c2ccccc2)=CC=C1c1ccccc1 3107478 CARFRWAWKOJPBG-UHFFFAOYSA-N 246.353 5.193 0 50 BKAA CC[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1 261494414 WZKQMNUWVGGTGM-HAQNSBGRSA-N 222.759 5.024 0 50 BKAA CC(C)c1cc(C(C)C)c([C@H](C)O)c(C(C)C)c1 40566621 VYKPQIIFUMKNLF-ZDUSSCGKSA-N 248.410 5.110 0 50 BKAA in-vitro O=C1CCCC=CCCCCCCCCCC1 256167693 ABRIMXGLNHCLIP-UHFFFAOYSA-N 236.399 5.197 0 50 BKAA CC(C)CCCCCCCCCCCC(=O)O 1911381 ZOCYQVNGROEVLU-UHFFFAOYSA-N 242.403 5.018 0 50 BKAA biogenic,in-vitro c1ccc(-c2ccccc2-c2ccccc2)cc1 1867000 OIAQMFOKAXHPNH-UHFFFAOYSA-N 230.310 5.021 0 50 BKAA CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C=CCC[C@@]21C 71786516 QCPSDEQKUNVOQB-TVFCKZIOSA-N 248.454 5.831 0 50 BKAA Cc1ccc(Sc2ccc(C)cc2C)c(C)c1 71774370 YYYOTDFCTOLQNX-UHFFFAOYSA-N 242.387 5.071 0 50 BKAA C1CCCCCCCCCCCCCC1 49952238 SRONXYPFSAKOGH-UHFFFAOYSA-N 210.405 5.852 0 50 BKAA CC(C)c1ccc(C(C)C)c(C(C)C)c1 2600006 RWGMANKDYBWNNP-UHFFFAOYSA-N 204.357 5.057 0 50 BKAA CC(C)=CCC[C@@H](C)[C@H]1CC=C(C)CC1 2582084 DHEICURLUADSKR-CABCVRRESA-N 206.373 5.115 0 50 BKAA C(=C\c1ccc2ccccc2c1)\c1ccccc1 96022886 AXGWOAHWOMYXLE-KHPPLWFESA-N 230.310 5.010 0 50 BKAA C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1 30726967 FAMPSKZZVDUYOS-HRGUGZIWSA-N 204.357 5.035 0 50 BKAA biogenic,in-vitro C1=C\CC/C=C\[C@@H]([C@@H]2/C=C\C=C/CC/C=C\2)\C=C/1 101036861 IIVRRDBMMPZJHT-VANWRHLESA-N 238.374 5.144 0 50 BKAA c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 1867001 XJKSTNDFUHDPQJ-UHFFFAOYSA-N 230.310 5.021 0 50 BKAA in-vitro CC[C@H](C)CCC[C@H](C)CCCC(C)C 2166535 YFHFHLSMISYUAQ-LSDHHAIUSA-N 212.421 5.665 0 50 BKAA biogenic,in-vitro CC(C)C1(C)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 3132901 QNKXOBXVYUQLSV-KLHDSHLOSA-N 234.427 5.275 0 50 BKAA c1csc(-c2cscc2-c2cccs2)c1 1861835 XMTNPHVYRJHQFV-UHFFFAOYSA-N 248.397 5.205 0 50 BKAA in-vitro c1cc(C2CCCCC2)ccc1C1CCCCC1 1693423 QQFSIGWYINAJOB-UHFFFAOYSA-N 242.406 5.782 0 50 BKAA biogenic c1csc(-c2ccc(-c3cccs3)cc2)c1 16430729 WFAUTYMJPKHYQF-UHFFFAOYSA-N 242.368 5.144 0 50 BKAA CC=C(CCCCCC)CCCCCC 71766910 IFDOUXGADWEMPU-UHFFFAOYSA-N 210.405 5.874 0 50 BKAA C[C@@]1(c2ccccc2)CCCC=C1c1ccccc1 71786472 OSWNDCQMGSIWAP-IBGZPJMESA-N 248.369 5.212 0 50 BKAA CC[C@@H](C)CCC[C@H](C)CCCC(C)C 2166533 YFHFHLSMISYUAQ-HUUCEWRRSA-N 212.421 5.665 0 50 BKAA biogenic,in-vitro Cc1ccc(C)c(Sc2cc(C)ccc2C)c1 71774369 LMIXQDKEOPSFTP-UHFFFAOYSA-N 242.387 5.071 0 50 BKAA COC/C=C(\C)CC/C=C(\C)CCC=C(C)C 1716549 HZDZRGKULMGCJE-NCZFFCEISA-N 236.399 5.052 0 50 BKAA Cc1cc(C)c(-c2c(C)cc(C)cc2C)c(C)c1 1758803 CWPWAQJHDDRCKP-UHFFFAOYSA-N 238.374 5.204 0 50 BKAA c1ccc(N(c2ccccc2)c2ccccc2)cc1 1693911 ODHXBMXNKOYIBV-UHFFFAOYSA-N 245.325 5.156 0 50 BKAA in-vitro C(=C/c1cccc2ccccc12)\c1ccccc1 1592599 QAVDMWIHZMXKFR-BUHFOSPRSA-N 230.310 5.010 0 50 BKAA in-vitro O=C1CCC/C=C\CCCCCCCCCC1 33839348 ABRIMXGLNHCLIP-VURMDHGXSA-N 236.399 5.197 0 50 BKAA C[C@@H]1CCCCCCCCCCCCC(=O)C1 4269341 ALHUZKCOMYUFRB-OAHLLOKOSA-N 238.415 5.277 0 50 BKAA endogenous,in-man O=C1CCCCCCCCCCCCCC1 3860311 OSOIQJGOYGSIMF-UHFFFAOYSA-N 224.388 5.031 0 50 BKAA biogenic,in-vitro Cc1cc(C)c(O)c(CCCCCCC(C)C)c1 2170767 LUNBANINQPLJTR-UHFFFAOYSA-N 248.410 5.158 0 50 BKAA CC(C)[C@]1(C)[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 253608048 QNKXOBXVYUQLSV-JJTUDDRGSA-N 234.427 5.275 0 50 BKAA Cc1ccc(/C=C/c2ccccc2)c2ccccc12 2077544 TXBVIPPORYAHLK-WYMLVPIESA-N 244.337 5.319 0 50 BKAA C/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1 248221896 IASLDLGGHXYCEO-NWYLIVIOSA-N 248.454 5.975 0 50 BKAA CC1=CCC[C@@H](C)/C1=C/C1([Si](C)(C)C)CC1 169828820 KEOYOTQSDRSSST-MBFWDRTGSA-N 234.459 5.161 0 50 BKAA c1ccc(-c2cccc(-c3ccccc3)[s+]2)cc1 5491155 GQQGGWAMQKYLJJ-UHFFFAOYSA-N 249.358 5.363 0 50 BKAA