smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C[C@@]2(C)[C@@H](C(C)C)CC[C@@](C)(N=C=S)[C@@]2(C)CC1 238741001 QNHBVTZDBFHOJX-VSZNYVQBSA-N 291.504 5.667 50 1 CKGF FS(F)(F)(F)(F)c1ccc2nc(CC3CC3)[nH]c2c1 587958980 JDYSQTFTPCDCMV-UHFFFAOYSA-N 298.280 5.173 50 1 CKGF C=CCc1c(CCl)[nH]c2ccc([C@H](C)CC)cc12 587639344 SLIAMYCGXMTESF-LLVKDONJSA-N 261.796 5.149 50 1 CKGF C=CCc1c(CCl)[nH]c2ccc([C@@H](C)CC)cc12 587639345 SLIAMYCGXMTESF-NSHDSACASA-N 261.796 5.149 50 1 CKGF CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=O 29336479 OAZOGFWMSSCNFS-PCEHXDGJSA-N 284.443 5.573 50 1 CKGF C=C(C)[C@H]1CCC[C@@]2(C)CCC[C@@](C)(N=C=S)[C@H]12 238732148 IGNSGVFKUWXKBI-LVQVYYBASA-N 263.450 5.031 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@H]2[C@H]3[C@H]([C@@H](/C=C/C(=C)C)[C@@H]2C)[C@H](C)CC[C@@H]31 238767565 WYEKKEXFXXVQGN-NPXNTZNUSA-N 297.486 5.751 50 1 CKGF C=C(Cl)/C(=C\Cl)CC[C@@H](Br)C(C)C 1856087 PMNYCTFAYIBDCL-ABRRARGCSA-N 286.040 5.061 50 1 CKGF C[C@@H]1C(=CC=O)CC[C@@H]2[C@@H]1CC[C@@H]1C(C)(C)CCC[C@@]21C 2356619559 KFDOSNHRXVNEJW-SVEODPQUSA-N 288.475 5.400 50 1 CKGF CCc1[nH]c2ccc([C@H](C)CC)cc2c1CCCl 587637816 ALVZDXJBTFRRDH-LLVKDONJSA-N 263.812 5.025 50 1 CKGF CC1=CC[C@@H]([C@](C)(C/C=C/C(C)C)N=C=S)CC1 238766442 NANQIVSAUZXVTP-QDNWOOLPSA-N 263.450 5.197 50 1 CKGF [C-]#[N+][C@]12CCC(=C)[C@@H]3[C@@H]1[C@H](CC[C@@H]2C)[C@@H](C)C[C@H]3C=C(C)C 139862792 KOYZYLPGKSLKGE-CZUPSRJTSA-N 297.486 5.895 50 1 CKGF S=C=NCCCCCCCCCCc1ccccc1 6096142 YBYYJVWCELMDBH-UHFFFAOYSA-N 275.461 5.453 50 1 CKGF C/C1=C\CC/C(C)=C/C=C(\C(C)C)CC/C(C=O)=C/CC1 195346598 SQMACIRXDFOOLF-HZEJWVLRSA-N 286.459 5.941 50 1 CKGF C/C1=C\CC/C(C=O)=C\[C@@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C 238787199 JJPNQFMBGBBAQG-XQOIACJJSA-N 286.459 5.631 50 1 CKGF CC(=CC=CC(C)C)C1CCC(C)(N=C=S)CC1 2356541054 ODKXKBHVDFQUQQ-UHFFFAOYSA-N 263.450 5.197 50 1 CKGF CC(C)=CCC[C@@H](C)[C@@H]1CC/C(C)=C\C/C=C(/C=O)C1 14635235 BOKICKKUMVGYBA-HWRQQRNPSA-N 274.448 5.631 50 1 CKGF C/C1=C/C=C(/C(C)C)CC/C(C=O)=C\CC/C(C)=C\CC1 169361124 SQMACIRXDFOOLF-QHFPFPTISA-N 286.459 5.941 50 1 CKGF C[Si](C)(C)O[C@H](C#N)C1CCCCCCCCCC1 169975348 DVHAAGRKLMCZIY-MRXNPFEDSA-N 281.516 5.261 50 1 CKGF S=C=NC=CCCCCCCCCCCCN=C=S 2356656194 SJTDNLGHVQEGFQ-UHFFFAOYSA-N 296.505 5.607 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)[C@H](Br)CC=C(C)[C@H]2C1 2356806289 VRJQKHFNJLBCLC-TUVASFSCSA-N 283.253 5.099 50 1 CKGF C=C(C)[C@@H]1CC[C@@]2(C)CCC(C=O)=CCCC(C)=CC[C@H]12 2356690220 PHURJFRMHHEZHX-XUVXKRRUSA-N 286.459 5.631 50 1 CKGF C=C/C(C)=C\C[C@@H]1C(=C)CC[C@H](Br)C1(C)C 86020379 DORXLPMUESEJTL-QCBUVIIYSA-N 283.253 5.265 50 1 CKGF CC1=CC[C@]2(CC1)C(C)=CC[C@@H](Br)C2(C)C 85855561 FATUEZUBMFMGFR-HIFRSBDPSA-N 283.253 5.243 50 1 CKGF CCCCCCCCCCCC[P@@](=O)(F)OC 34803453 AUDRDSJPHLTEGD-KRWDZBQOSA-N 266.337 5.716 50 1 CKGF CC1=CC[C@@]2(CC1)[C@H](C)CC[C@H](Br)C2(C)C 95909867 CWJZZPMNTLBEOG-VNHYZAJKSA-N 285.269 5.323 50 1 CKGF biogenic,in-vitro CC(C)C1=C[C@@H]2[C@@](C)(CCC[C@]2(C)N=C=S)CC1 2356798081 OVOFDNNPFCGEGO-PMPSAXMXSA-N 263.450 5.031 50 1 CKGF c1ccc([C@@H]2SS[C@H](c3ccccc3)S2)cc1 15121983 PUWFIFCCGDGBGM-OKILXGFUSA-N 276.451 5.512 50 1 CKGF CC(=CC=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356584031 RAFZYSUICBQABU-RBUKOAKNSA-N 294.523 6.571 50 1 CKGF CCCCCCCC[C@H](Cl)[C@@H](Cl)CCCC(=O)O 169621983 MBWXQZXGUAFIDF-STQMWFEESA-N 297.266 5.207 50 1 CKGF CCCCCCC[C@H]1OO[C@H](CCCCCCC)OO1 299804841 JMSOFAQFFYOQOQ-WKILWMFISA-N 288.428 5.270 50 1 CKGF C=CC(C)=CC[C@@H]1C(=C)CC[C@@H](Br)C1(C)C 2356389690 DORXLPMUESEJTL-ZIAGYGMSSA-N 283.253 5.265 50 1 CKGF CC1=CC[C@H]([C@@](C)(CC=CC(C)C)N=C=S)CC1 2356410521 NANQIVSAUZXVTP-JKSUJKDBSA-N 263.450 5.197 50 1 CKGF C1CC[C@H]2SS[C@H]3CCCC[C@H]3SS[C@H]2C1 17217415 VPXVMQIMFNESNB-IWDIQUIJSA-N 292.560 5.385 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)[C@H](Br)CCC(=C)[C@H]2C1 2356805101 ZPAABFCLZTVCEH-TUVASFSCSA-N 283.253 5.099 50 1 CKGF CC1=CC[C@@]2(CC1)C(C)=CC[C@@H](Br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in-vitro CC(C)[C@H]1C[C@H]2[C@@]3(C)CC[C@@]2(C)[C@](C)(SC#N)[C@H]1C3 2356839344 LTMTXESKDDXIGA-UTQGOSHXSA-N 277.477 5.078 50 1 CKGF CC(C)C1=C[C@]2(CC[C@](C)(N=C=S)C2)[C@@H](C)CC1 166802802 WSYICXWUFKOORH-BPUTZDHNSA-N 263.450 5.031 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(C)c(CCCCl)c2c1 587639232 PRLJUYTWWQEHCE-NSHDSACASA-N 263.812 5.161 50 1 CKGF C[C@H]1/C(=C/C=O)CC[C@H]2[C@H]1CC[C@H]1C(C)(C)CCC[C@]21C 238731793 KFDOSNHRXVNEJW-IFDQITCBSA-N 288.475 5.400 50 1 CKGF C[Si](C)(C)O[C@@H](C#N)C1CCCCCCCCCC1 169975347 DVHAAGRKLMCZIY-INIZCTEOSA-N 281.516 5.261 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@@H](C=C(C)C)[C@@H]3C(C)=CC[C@H]1[C@H]32 55823335 JMZUVWGIUGYJJE-QCPSMULASA-N 297.486 5.895 50 1 CKGF Clc1sc(Cl)c2c1[C@@H](Cl)C[C@H]2Cl 1655381 FRIOLWQFTWFURX-WSOKHJQSSA-N 261.988 5.018 50 1 CKGF [C-]#[N+][C@]12CC[C@H]3CC(C)(C)CC4=C3[C@@H]1[C@H](CC[C@@H]2C)[C@@H](C)C4 140305665 QRABKDDIJBBZSZ-WYQXYEKPSA-N 297.486 5.873 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCCl)c(CCl)c2c1 587638693 IWEGZSHKDFAMRY-SNVBAGLBSA-N 284.230 5.202 50 1 CKGF CC1=CC=CC(C)(C)C[C@]1(O[Si](C)(C)C)C(F)(F)F 195492492 ZRFIJUMVILZIJB-CYBMUJFWSA-N 292.417 5.071 50 1 CKGF CC1=CCCC(C=O)=C[C@@H]2[C@@H](CCC(C)=CCC1)C2(C)C 2356562924 JJPNQFMBGBBAQG-RTBURBONSA-N 286.459 5.631 50 1 CKGF CC(C)=CCC[C@@H](C)[C@H]1CCC(C)=CCC=C(C=O)C1 2356657336 BOKICKKUMVGYBA-MJGOQNOKSA-N 274.448 5.631 50 1 CKGF CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C\C(C)=C\C=O 71316938 OAZOGFWMSSCNFS-GLYJFRAUSA-N 284.443 5.573 50 1 CKGF C/C(=C/C=C/C(C)=C/C=O)C1=CC2=C(CCCC2(C)C)C1 34962028 IFPIFYXTWQFSRF-SJJLUNSHSA-N 282.427 5.471 50 1 CKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=CC=O 2356508140 QZIWEZUJYZIRFB-NLWGTHIKSA-N 288.475 5.711 50 1 CKGF CC(C=CC=C(C)C=C[C@@H]1C(C)=CCCC1(C)C)=CC=O 2356424333 OAZOGFWMSSCNFS-LJQANCHMSA-N 284.443 5.573 50 1 CKGF C/C1=C/CC/C(C)=C/C=C(\C(C)C)CC/C(C=O)=C\CC1 169361121 SQMACIRXDFOOLF-GURGRTACSA-N 286.459 5.941 50 1 CKGF CCCCCCCC[C@@H](Cl)[C@@H](Cl)CCCC(=O)O 169621984 MBWXQZXGUAFIDF-OLZOCXBDSA-N 297.266 5.207 50 1 CKGF CC=C(C=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356484003 GKDYPJGVJWMRDY-RBUKOAKNSA-N 294.523 6.571 50 1 CKGF c1ccc2sc(SSC3CCCCC3)nc2c1 34536567 BUHXQMMNPJACLC-UHFFFAOYSA-N 281.471 5.369 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(CCl)c2c1 587638931 JYSWREXEJASTAK-ZDUSSCGKSA-N 297.829 6.087 50 1 CKGF C[C@H]1CCC[C@]2(C)CC[C@H](C(C)(C)N=C=S)C=C12 40848064 YZYZKKAHYRXPMB-HEHGZKQESA-N 263.450 5.031 50 1 CKGF C=C(C=O)[C@H]1C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC1 214382285 YVPDVEMKKLARPZ-ZHVSGATLSA-N 286.459 5.941 50 1 CKGF C[C@H](Cl)c1[nH]c2cccc(F)c2c1-c1ccccc1 587632205 FYYPVUZOGSUECW-JTQLQIEISA-N 273.738 5.274 50 1 CKGF C=C(Cl)/C(=C\Br)CC[C@H](Cl)C(C)C 73390624 ZCJPRYFLOUFMOV-MBACFSSFSA-N 286.040 5.061 50 1 CKGF CC[C@@H](C)SSc1nc2ccc(Cl)cc2s1 95596045 QSSJUMOELFEACV-SSDOTTSWSA-N 289.878 5.489 50 1 CKGF CC(C)[C@@H]1C[C@H]2[C@@]3(C)CC[C@@]2(C)[C@@](C)(SC#N)[C@H]1C3 2356839342 LTMTXESKDDXIGA-JNNCMOEMSA-N 277.477 5.078 50 1 CKGF CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1 170152901 OMKXOCMIIFVIAV-UHFFFAOYSA-N 292.476 5.546 50 1 CKGF N#C/C(=C\c1ccc(Nc2ccccc2)cc1)c1ccccc1 84651934 QZVKEASDISYWSM-XDJHFCHBSA-N 296.373 5.494 50 1 CKGF [C-]#[N+][C@]1(C)CC[C@H]2[C@H](C)C[C@@H]3CC(C)(C)C=C4CC[C@@H]1[C@H]2[C@H]43 238747091 VAULULZYNQREQP-JEHFRGLQSA-N 297.486 5.729 50 1 CKGF CC1=CC[C@]2(CC1)C(C)=CC[C@H](Br)C2(C)C 85855558 FATUEZUBMFMGFR-ZFWWWQNUSA-N 283.253 5.243 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(C)c(CCCCl)c2c1 587639231 PRLJUYTWWQEHCE-LLVKDONJSA-N 263.812 5.161 50 1 CKGF CC(C=O)=CCCC(C)=CCC=C(C)[C@@H]1C=C[C@@H](C)CC1 2356522262 BCFODZHEQCPQHV-YLJYHZDGSA-N 286.459 5.797 50 1 CKGF CC1=C(/C=C/C2=CC=C(C=O)[C@H](C)C2)C(C)(C)CCC1 40836530 YHMSDFLGZRQCMM-TUPIDYKKSA-N 270.416 5.161 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@@H](C=C(C)C)[C@@H]3C(=C)CC[C@@H]1[C@H]32 73139248 YLUPPLFDZXAQDE-YMJVXHRNSA-N 297.486 5.895 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(C(C)C)c2c1 587638998 MGEWEDYKGKYCMY-LLVKDONJSA-N 263.812 5.544 50 1 CKGF Cc1ccc(-c2[nH]c3cccc(F)c3c2CCl)cc1 587632681 HIHGFAPSUQEPLN-UHFFFAOYSA-N 273.738 5.021 50 1 CKGF CC(C)=CCCC(C)=CCCC(C)=CCN=C=S 2356641075 CVMJPEWSWVIBKI-UHFFFAOYSA-N 263.450 5.508 50 1 CKGF Fc1cc2c(-c3ccccc3)c(CCl)[nH]c2cc1Cl 587629061 YSHXFPTZKHTGCK-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF S=C=NC=CCCCCCCCCCCN=C=S 2356471188 QSMQUSFQSQGDFK-UHFFFAOYSA-N 282.478 5.217 50 1 CKGF Cc1cc(Cl)cc2c(-c3ccccc3)c(CCl)[nH]c12 587623649 LDULBMKQRCADKR-UHFFFAOYSA-N 290.193 5.536 50 1 CKGF CCCCCCC1=CC=C(C=O)[C@@](C)(CCCCCC)C1 35077262 DEMYMBOLBBSDPX-FQEVSTJZSA-N 290.491 6.389 50 1 CKGF CC[C@H](C)c1ccc2[nH]c([C@@H](C)Br)c(C)c2c1 587638658 HRHMGFRDNYHDJK-GXSJLCMTSA-N 294.236 5.446 50 1 CKGF C/C(=C\C=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 14655251 RAFZYSUICBQABU-PFIWFTBQSA-N 294.523 6.571 50 1 CKGF endogenous,in-man C=C(C=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 14822646 PTFJEDBJXCZCDO-MSOLQXFVSA-N 280.496 6.181 50 1 CKGF endogenous,in-man CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=O 2356387933 LQAJUQDHCUNJJY-UHFFFAOYSA-N 284.443 5.883 50 1 CKGF CC1=CC[C@@H]([C@](C)(CC=CC(C)C)N=C=S)CC1 2356410518 NANQIVSAUZXVTP-CVEARBPZSA-N 263.450 5.197 50 1 CKGF C=C(C)[C@@H]1CC[C@@]2(C)[C@@H](C1)C(C)=CC[C@H]2Br 2356806286 VRJQKHFNJLBCLC-BARDWOONSA-N 283.253 5.099 50 1 CKGF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)CC[C@H]12 238740905 MGLLQZRFPMQJME-YTYFBAJQSA-N 286.459 5.154 50 1 CKGF C[C@H]1[C@H](N2CCCC2)O[Si](C(C)(C)C)(C(C)(C)C)[C@@H]1C 195504690 AXDDVSSEDQRZFC-RBSFLKMASA-N 297.559 5.010 50 1 CKGF C[C@@H]1C(=CC=O)CC[C@@H]2[C@@H]1CC[C@H]1C(C)(C)CCC[C@]12C 2356619558 KFDOSNHRXVNEJW-QHXZYPQMSA-N 288.475 5.400 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(CC(C)C)c2c1 587638326 FOYNRKRWEIAQKZ-GFCCVEGCSA-N 277.839 5.619 50 1 CKGF C[C@@H](Cl)CCCC(=O)c1coc2ccc(Cl)cc12 587278083 GOVDIMJUZFLVGQ-SECBINFHSA-N 285.170 5.067 50 1 CKGF C=C(C=O)[C@H]1C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC1 214382341 YVPDVEMKKLARPZ-QPRSWBNTSA-N 286.459 5.941 50 1 CKGF CC(=CC=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356584032 RAFZYSUICBQABU-RTBURBONSA-N 294.523 6.571 50 1 CKGF C=C[C@]1(C)CC[C@@]2(C)[C@@H]3CCC=C(C=O)[C@@]3(C)CC[C@@H]2C1 2356795516 MDIDFLCXZWKRFA-YHUYVZNPSA-N 286.459 5.321 50 1 CKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=O 34187355 LQAJUQDHCUNJJY-OVWFGJEDSA-N 284.443 5.883 50 1 CKGF in-vitro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endogenous,in-man Clc1sc(Cl)c2c1[C@@H](Cl)C[C@@H]2Cl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c1ccc2c(c1)CSC(SSC1CCCCC1)=N2 95597269 DEJQBSOCLDZCDX-UHFFFAOYSA-N 295.498 5.635 50 1 CKGF C=C(C)C=C[C@@H](CCC(C)=CCCC(C)=CC=O)C(C)C 2356480194 SLBBPNIKQSQTPG-FQEVSTJZSA-N 288.475 6.043 50 1 CKGF [C-]#[N+][C@]1(C)CC[C@H]2[C@H](C)C[C@H](CC(=C)C)[C@H]3C(=C)CC[C@@H]1[C@H]23 238736461 IHQUZDWCMMAOFI-MZLRYNDKSA-N 297.486 5.895 50 1 CKGF CC(/C=C/C=C(C)/C=C/C1=CCCCC1(C)C)=C\C=O 28468521 UGRVRQHFDUGWJO-CJWUBFFHSA-N 270.416 5.327 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)[C@@H](Br)CC=C(C)[C@@H]2C1 2356806288 VRJQKHFNJLBCLC-QPSCCSFWSA-N 283.253 5.099 50 1 CKGF Cc1ccc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)cc1 169330218 ZMIKVYANXJKZGQ-RIYZIHGNSA-N 288.177 5.366 50 1 CKGF C/C(=C\C=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 14655248 RAFZYSUICBQABU-IHKHCKEISA-N 294.523 6.571 50 1 CKGF endogenous,in-man C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\C=O 211873020 QZIWEZUJYZIRFB-JCHRQXLOSA-N 288.475 5.711 50 1 CKGF CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=O 29336476 OAZOGFWMSSCNFS-UUPMFUPXSA-N 284.443 5.573 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCCCl)c(C)c2c1 587639226 PMXBSETUVAZVEM-LLVKDONJSA-N 263.812 5.161 50 1 CKGF C=CC(C)=CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356510479 BEOWFWZWDOHYTG-GGPKGHCWSA-N 286.459 5.487 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@H](C=C(C)C)[C@@H]3C(=C)CC[C@H]1[C@H]32 55817365 YLUPPLFDZXAQDE-QQKCOMIHSA-N 297.486 5.895 50 1 CKGF CCCCCCCCCCCCCCCC=CC=O 2356404908 AHQSSWHOKBCJFA-UHFFFAOYSA-N 266.469 6.223 50 1 CKGF Cc1ccc([C@]2(C)CC[C@H](CC(Cl)Cl)[C@@H]2C)cc1 85952652 KIICIESTKAEAAM-WOSRLPQWSA-N 285.258 5.493 50 1 CKGF CC(C=O)=CCCC(C)=CCC=C(C)[C@H]1CC=C(C)CC1 2356378007 SOXVEHBWUOFNNT-FQEVSTJZSA-N 286.459 5.941 50 1 CKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](C(C)C)C[C@H]12 2356576085 NMKGVVFTZFKWIV-LJISPDSOSA-N 285.269 5.179 50 1 CKGF N#C/C(=C\c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 84732573 KMRCOYYHVYICAJ-KPKJPENVSA-N 292.140 5.197 50 1 CKGF CC(C)=CCCC1=CC=C(C=O)[C@](C)(CCC=C(C)C)C1 14590520 FENFKJSEQOAPKE-HXUWFJFHSA-N 286.459 5.941 50 1 CKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](C(C)C)C[C@@H]12 2356576086 NMKGVVFTZFKWIV-ZQDZILKHSA-N 285.269 5.179 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(CCl)c2c1 587639374 TYPWCTPLOGXPEA-SECBINFHSA-N 270.203 5.159 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@H]3CC(C)(C)CC4=CC[C@H]1[C@@H]2[C@@H]43 55634178 URVFUITYTYHSKK-LKYYDDCCSA-N 297.486 5.729 50 1 CKGF CC(C)C[C@H]1SS[C@H](Cc2ccccc2)S1 13437656 IHZLJRZHIFURCV-CHWSQXEVSA-N 270.488 5.056 50 1 CKGF CCCCCCCCCCCCCC[C@@H](Cl)CO 114488448 BIKPLELGZLSTBN-MRXNPFEDSA-N 276.892 5.677 50 1 CKGF C=C(Cl)/C(=C\Br)CC[C@@H](Cl)C(C)C 73390623 ZCJPRYFLOUFMOV-ABRRARGCSA-N 286.040 5.061 50 1 CKGF CC1=C[C@]2(C)[C@H](C(C)C)CC[C@@](C)(N=C=S)[C@@]2(C)CC1 2356634929 QNHBVTZDBFHOJX-XWTMOSNGSA-N 291.504 5.667 50 1 CKGF CC/C=C/C=C/C=C/C=C/CCCCC/C=C/C=O 238734736 ABCBBMZSTXBGMW-KRGLKIEQSA-N 258.405 5.327 50 1 CKGF C=C(C=O)[C@@H]1CC=C(C)CCC=C(C)CCC=C(C)CC1 2356560437 YVPDVEMKKLARPZ-HXUWFJFHSA-N 286.459 5.941 50 1 CKGF CCCCCCCCCCCC[P@@](=O)(F)CC(C)C 95755219 RHCZWPRVRQZNKG-IBGZPJMESA-N 292.419 6.811 50 1 CKGF CC(C=O)=CCCC(C)=CCC=C(C)[C@H]1C=C[C@@H](C)CC1 2356522261 BCFODZHEQCPQHV-XLIONFOSSA-N 286.459 5.797 50 1 CKGF C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](OO)CC[C@]3(C)[C@H]1CC2 118913149 HJVRTUSHHWYOIN-LOVVWNRFSA-N 292.463 5.277 50 1 CKGF in-vitro C=CC(C)=CC[C@@H]1C(C=O)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356510480 BEOWFWZWDOHYTG-HBFSDRIKSA-N 286.459 5.487 50 1 CKGF [C-]#[N+][C@]1(C)CC[C@@H]2[C@@H]3C(=C(C)CC[C@H]31)[C@H](C=C(C)C)C[C@H]2C 238740620 CGHPOZKMBNAYOT-LRXQYKGQSA-N 297.486 6.039 50 1 CKGF CCCCCCCCCCCCC=C(Cl)C=O 2356556631 IRHIZTZZOIVEPB-UHFFFAOYSA-N 258.833 5.619 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)[C@@H](Br)CC=C(C)[C@H]2C1 2356806287 VRJQKHFNJLBCLC-KBXIAJHMSA-N 283.253 5.099 50 1 CKGF CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=C\C=C\C(C)=C\C=O 71319152 OAZOGFWMSSCNFS-XWGYCNLLSA-N 284.443 5.573 50 1 CKGF CC(/C=C\C=C(/C)C1=CC2=C(CCCC2(C)C)C1)=C\C=O 34962036 IFPIFYXTWQFSRF-XMTSQJESSA-N 282.427 5.471 50 1 CKGF Fc1cccc2[nH]c(-c3ccc(Cl)cc3)c(CCl)c12 587632490 FSCBNYDUPHBGMN-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF CC(C=O)=CCCC(C)=CCC=C(C)[C@H]1C=C[C@H](C)CC1 2356522260 BCFODZHEQCPQHV-PXNSSMCTSA-N 286.459 5.797 50 1 CKGF CC(C)C1=C[C@@H]2[C@@](C)(CCC[C@@]2(C)N=C=S)CC1 2356798080 OVOFDNNPFCGEGO-OWCLPIDISA-N 263.450 5.031 50 1 CKGF CC(C)C1=C[C@@]2(CC[C@](C)(N=C=S)C2)[C@@H](C)CC1 166359981 WSYICXWUFKOORH-CWRNSKLLSA-N 263.450 5.031 50 1 CKGF CCCC/C=C(\C#N)c1ccc(Cl)c(Cl)c1 169329407 IUZVLSQCTYSBLQ-VZUCSPMQSA-N 254.160 5.091 50 1 CKGF CC1=C2C=C(/C(C)=C/C=C\C(C)=C\C=O)C[C@@]2(C)CCC1 34962041 JZVQPHGYTPIYGJ-QPLCOCPKSA-N 282.427 5.471 50 1 CKGF Cc1ccc(-c2csc(C(C#N)=C3CCCC3)n2)cc1C 587920811 NIDXFOWYOOKMFK-UHFFFAOYSA-N 294.423 5.278 50 1 CKGF C=CC(C)=CC[C@@H]1C(=C)CC[C@H](Br)C1(C)C 2356389688 DORXLPMUESEJTL-KGLIPLIRSA-N 283.253 5.265 50 1 CKGF CCCCCCCCCCCCCC[C@H](Cl)CO 114488449 BIKPLELGZLSTBN-INIZCTEOSA-N 276.892 5.677 50 1 CKGF CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=C\C=C/C(C)=C/C=O 169347486 OAZOGFWMSSCNFS-ZANSGPKZSA-N 284.443 5.573 50 1 CKGF C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@@]3(C)C(C=O)=CCC[C@@H]32)C1 2356795514 MDIDFLCXZWKRFA-MTEHYEEQSA-N 286.459 5.321 50 1 CKGF C/C(=C\C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 14655242 RAFZYSUICBQABU-PYDDKJGSSA-N 294.523 6.571 50 1 CKGF endogenous,in-man C=C[C@]1(C)CC[C@]2(C)[C@H](CC[C@]3(C)C(C=O)=CCC[C@@H]32)C1 2356795513 MDIDFLCXZWKRFA-HKUYMTLNSA-N 286.459 5.321 50 1 CKGF C=C1[C@@H](CBr)CC[C@@]1(C)C1=CCC(C)=CC1 85856430 KDVACJCIEWQYJX-UKRRQHHQSA-N 281.237 5.020 50 1 CKGF CCCCC=CCCCCCCCCCC=CC=O 2356700933 NCFULMZVHNTQOK-UHFFFAOYSA-N 264.453 5.999 50 1 CKGF CC(C)=CCCC1=CC=C(C=O)[C@@](C)(c2ccc(C)o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c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)OO 86047459 SERPESJFVFFAKV-GUDVDZBRSA-N 288.431 5.062 50 1 CKGF S=C=N/C=C\CCCCCCCCCCN=C=S 137923758 QSMQUSFQSQGDFK-LUAWRHEFSA-N 282.478 5.217 50 1 CKGF Cc1ccc(-c2[nH]c3cc(F)ccc3c2CCl)cc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biogenic,in-vitro C=C(C)[C@@H]1C[C@H](Br)[C@]2(C)CCCC(=C)[C@@H]2C1 2356791388 GPOCNIPWJITUKP-ZQDZILKHSA-N 283.253 5.099 50 1 CKGF C[C@H](Cl)CCCC(=O)c1coc2ccc(Cl)cc12 587278086 GOVDIMJUZFLVGQ-VIFPVBQESA-N 285.170 5.067 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@H]3C=C(C)[C@@H](C)[C@H]4CC[C@H]1[C@@H]2[C@@H]43 55634180 MNCOLZSEANRVAD-FBGPIUOESA-N 297.486 5.585 50 1 CKGF Fc1ccc(CSSCc2ccc(F)cc2)cc1 34441384 TVCLHSCUNDIOEP-UHFFFAOYSA-N 282.380 5.046 50 1 CKGF C=C(C)[C@@H]1C[C@H](Br)[C@]2(C)CCCC(=C)[C@H]2C1 2356791386 GPOCNIPWJITUKP-LJISPDSOSA-N 283.253 5.099 50 1 CKGF CC(C)=CCC[C@@](C)(SC#N)[C@H]1CC=C(C)CC1 149396007 HVGZCCDETWAGDK-JKSUJKDBSA-N 263.450 5.452 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)[C@@H](Br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c1ccc(Cl)cc1 1857584125 MFZDFXSDEKIEFY-ISLYRVAYSA-N 295.814 5.014 50 1 CKGF CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1 170152907 CUOZXHRKZBILNL-UHFFFAOYSA-N 292.476 5.546 50 1 CKGF CC1=CC[C@@H]([C@@](C)(CC=CC(C)C)N=C=S)CC1 2356410520 NANQIVSAUZXVTP-HZPDHXFCSA-N 263.450 5.197 50 1 CKGF C/C1=C\C=C(\C(C)C)CC/C(C=O)=C\CC/C(C)=C/CC1 40390830 SQMACIRXDFOOLF-SKTYWBPTSA-N 286.459 5.941 50 1 CKGF CCCCCCC[C@H]1OO[C@H](CCCCCCC)OO1 100840582 JMSOFAQFFYOQOQ-IYBDPMFKSA-N 288.428 5.270 50 1 CKGF [C-]#[N+][C@]1(C)CC[C@H]2[C@H](C)C[C@@H](C=C(C)C)[C@H]3C(C)=CC[C@@H]1[C@H]23 238742325 JMZUVWGIUGYJJE-FVVROYIQSA-N 297.486 5.895 50 1 CKGF Cc1cc(Cl)cc2c(CCl)c(-c3ccccc3)[nH]c12 587623907 SZGNOHYJGUUZGK-UHFFFAOYSA-N 290.193 5.536 50 1 CKGF C/C(C=O)=C\CC/C(C)=C/C/C=C(\C)[C@H]1C=C[C@H](C)CC1 238733556 BCFODZHEQCPQHV-FCSYEBMESA-N 286.459 5.797 50 1 CKGF CC1=CCCC(C=O)=C[C@H]2[C@H](CCC(C)=CCC1)C2(C)C 2356562922 JJPNQFMBGBBAQG-OALUTQOASA-N 286.459 5.631 50 1 CKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CN=C=S 223076524 CVMJPEWSWVIBKI-XGGJEREUSA-N 263.450 5.508 50 1 CKGF C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC(C)=CC=O 2356508142 QZIWEZUJYZIRFB-NSHGMRRFSA-N 288.475 5.711 50 1 CKGF C[C@@H](Cl)c1[nH]c2cccc(F)c2c1-c1ccccc1 587632206 FYYPVUZOGSUECW-SNVBAGLBSA-N 273.738 5.274 50 1 CKGF C=C(C)[C@@H]1CCC[C@]2(C)CCC[C@](C)(SC#N)[C@@H]12 2356333838 WJOKCRYHZPESMJ-JONQDZQNSA-N 263.450 5.142 50 1 CKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)C 195803162 WMPDMQCCFFSRIM-NXGXIAAHSA-N 294.555 6.257 50 1 CKGF biogenic,in-vitro O=C(O)[C@H](CCCCCCCCl)CCC1CCCC1 1911581833 IKQGDGUCCMBNLJ-OAHLLOKOSA-N 288.859 5.237 50 1 CKGF CCCCC[C@H]1C(C)=CC=C(C=O)[C@H]1c1ccccc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l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c1ccc2[nH]c(-c3ccccc3)c(CCl)c2c1Cl 587629000 XRXFADBDJYOXOJ-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF C/C(=C\C=C\C(C)C)[C@H]1CC[C@](C)(N=C=S)CC1 238753165 ODKXKBHVDFQUQQ-ZZDWXYFLSA-N 263.450 5.197 50 1 CKGF C[Si](C)(C)OC1(C#N)CCCCCCCCCC1 169975279 IIBRXJWCQUPYSX-UHFFFAOYSA-N 267.489 5.015 50 1 CKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](C(C)C)C[C@H]12 2356576083 NMKGVVFTZFKWIV-APIJFGDWSA-N 285.269 5.179 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)CCC(C=O)=CCCC(C)=CC[C@H]12 2356690221 PHURJFRMHHEZHX-ZCNNSNEGSA-N 286.459 5.631 50 1 CKGF CCCCCCCCCCCC/C=C(\Cl)C=O 85903819 IRHIZTZZOIVEPB-SQFISAMPSA-N 258.833 5.619 50 1 CKGF CCCCCCCCCCCCCC[C@@H](Cl)C=O 59725413 AUGQGGLBBDGNTG-MRXNPFEDSA-N 274.876 5.884 50 1 CKGF C/C1=C\CC/C(C)=C/C=C(/C(C)C)CC/C(C=O)=C/CC1 154840846 SQMACIRXDFOOLF-ORMORZDMSA-N 286.459 5.941 50 1 CKGF C/C(=C\C=C\C(C)C)[C@H]1CC[C@](C)(N=C=S)CC1 255251367 ODKXKBHVDFQUQQ-QACOOCLTSA-N 263.450 5.197 50 1 CKGF C=C1CC[C@@H](Br)C(C)(C)[C@]12CC=C(C)CC2 85855576 ZATQJGNPERFQSF-HIFRSBDPSA-N 283.253 5.243 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(CCCl)c2c1 587639425 VSSQYWYFLQLNSR-JTQLQIEISA-N 284.230 5.202 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(CCCl)c2c1 587639426 VSSQYWYFLQLNSR-SNVBAGLBSA-N 284.230 5.202 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(-c3ccccc3)c2c1 587639317 RFIFGGXHOIDPPI-ZDUSSCGKSA-N 297.829 6.087 50 1 CKGF CC1=CC=C(C=O)[C@](C)(c2ccc(-c3ccccc3)cc2)C1 40976546 JKJNIYJVYWKYKU-NRFANRHFSA-N 288.390 5.087 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@@H](CC(=C)C)[C@@H]3C(=C)CC[C@@H]1[C@H]32 73139250 IHQUZDWCMMAOFI-YMJVXHRNSA-N 297.486 5.895 50 1 CKGF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=O 2356599584 FNOVBOLFDRHANW-UHFFFAOYSA-N 282.427 5.659 50 1 CKGF CC1=CC[C@H](/C(C)=C/C/C=C(\C)CC/C=C(\C)C=O)CC1 59779027 SOXVEHBWUOFNNT-AXIKSSGVSA-N 286.459 5.941 50 1 CKGF C=C(C)[C@@H]1CCC[C@]2(C)CCC[C@@](C)(SC#N)[C@@H]12 2356333773 WJOKCRYHZPESMJ-CAOSSQGBSA-N 263.450 5.142 50 1 CKGF C(=C/c1ccccc1)\CSSC/C=C/c1ccccc1 3201640 QZKXQOYWPIXKKL-FNCQTZNRSA-N 298.476 5.795 50 1 CKGF C/C1=C/C=C(\C(C)C)CC/C(C=O)=C\CC/C(C)=C\CC1 169361122 SQMACIRXDFOOLF-MVLFQMOGSA-N 286.459 5.941 50 1 CKGF CC1=C(/C=C/C2=CC=C(C=O)[C@@H](C)C2)C(C)(C)CCC1 40836532 YHMSDFLGZRQCMM-HQPKTYMTSA-N 270.416 5.161 50 1 CKGF C=CC(C)=CC[C@H]1C(=C)CC[C@H](Br)C1(C)C 2356389687 DORXLPMUESEJTL-KBPBESRZSA-N 283.253 5.265 50 1 CKGF C[C@H](Cl)c1[nH]c2cc(F)ccc2c1-c1ccccc1 587632227 HCMOWKUWHVJNEB-JTQLQIEISA-N 273.738 5.274 50 1 CKGF N#CC(=C1CCCCC1)c1nc(-c2ccc(F)cc2)cs1 7846507 CLRKDMJHICAGKK-UHFFFAOYSA-N 298.386 5.190 50 1 CKGF CCCCCCC[C@H]1OOCC=C1CCCCCC 43552914 VYGRJQRMWAQOPF-QGZVFWFLSA-N 268.441 5.574 50 1 CKGF C=C(C=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 14822644 PTFJEDBJXCZCDO-ZWKOTPCHSA-N 280.496 6.181 50 1 CKGF endogenous,in-man C=CC(C)=CC[C@@H]1C(C=O)=CC[C@H]2C(C)(C)CCC[C@]12C 2356510482 BEOWFWZWDOHYTG-WSTZPKSXSA-N 286.459 5.487 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(CCl)c2c1 587638930 JYSWREXEJASTAK-CYBMUJFWSA-N 297.829 6.087 50 1 CKGF CCCCCCCCCCCCCCCCCC=CC=O 2356331058 UXNPIJMOEWUFPL-UHFFFAOYSA-N 294.523 7.003 50 1 CKGF CC(C)(C)C1CCC2(CC1)CC1(CCCCC1)OO2 43574893 RGYBVXPBAQLCEL-UHFFFAOYSA-N 266.425 5.016 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@H]3CC(C)(C)C=C4CC[C@H]1[C@@H]2[C@@H]43 55634177 VAULULZYNQREQP-LKYYDDCCSA-N 297.486 5.729 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)CC[C@H](C(=C)C)[C@]23C=C(C)CC[C@H]13 238754891 JXYZWVNPOCRINV-LDIYZUBKSA-N 297.486 6.039 50 1 CKGF CC(C)=CCC[C@H](C)[C@@H]1CCC(C)=CCC=C(C=O)C1 2356657337 BOKICKKUMVGYBA-PKOBYXMFSA-N 274.448 5.631 50 1 CKGF C/C=C(/C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 238731959 GKDYPJGVJWMRDY-LMGYBQQNSA-N 294.523 6.571 50 1 CKGF [C-]#[N+][C@](C)(C=C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 137243729 NHJDIHHQSGBVGA-APTUJUSBSA-N 299.502 7.050 50 1 CKGF CC(=O)OOCC=C(C)CCC[C@H](C)CCCC(C)C 2356725104 IVHAJFHBJVXTNC-OAHLLOKOSA-N 284.440 5.060 50 1 CKGF C[C@@H](Cl)c1[nH]c2cc(F)ccc2c1-c1ccccc1 587632228 HCMOWKUWHVJNEB-SNVBAGLBSA-N 273.738 5.274 50 1 CKGF O=C(CCCCCCl)c1coc2ccc(Cl)cc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c1ccc2[nH]c(CCl)c(CCl)c2c1 587639375 TYPWCTPLOGXPEA-VIFPVBQESA-N 270.203 5.159 50 1 CKGF C=C(C)[C@@H]1C[C@H](Br)[C@@]2(C)CCCC(=C)[C@@H]2C1 2356791385 GPOCNIPWJITUKP-AJNGGQMLSA-N 283.253 5.099 50 1 CKGF [C-]#[N+][C@@]12CCC3=C4[C@@H](C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]42)CC(C)(C)C3 140172018 GSVNPQOPWNKYGM-JBFLMGTHSA-N 297.486 5.873 50 1 CKGF C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(N=C=S)[C@@H]2C1 40860516 HTWIRGRTEPTBCC-KLHDSHLOSA-N 263.450 5.031 50 1 CKGF C=C(Cl)/C(=C\Cl)CC[C@H](Br)C(C)C 1856091 PMNYCTFAYIBDCL-MBACFSSFSA-N 286.040 5.061 50 1 CKGF Cn1c(-c2ccc(Cl)cc2)c(SC#N)c2ccccc21 653859630 ZUFXJFVIDDLSMQ-UHFFFAOYSA-N 298.798 5.072 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c([C@H](C)Br)c(C)c2c1 587638659 HRHMGFRDNYHDJK-KOLCDFICSA-N 294.236 5.446 50 1 CKGF CC1=C[C@]2(C)[C@H](C(C)C)CC[C@](C)(N=C=S)[C@]2(C)CC1 2356634926 QNHBVTZDBFHOJX-MLHJIOFPSA-N 291.504 5.667 50 1 CKGF CC[C@H](C)c1ccc2[nH]c([C@H](C)Br)c(C)c2c1 587638661 HRHMGFRDNYHDJK-ONGXEEELSA-N 294.236 5.446 50 1 CKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(C)=CC=O 2356508143 QZIWEZUJYZIRFB-QWFCFKBJSA-N 288.475 5.711 50 1 CKGF C=CC[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@H]1C 195482667 JGTYRFHNCRSKEH-MGPQQGTHSA-N 268.517 5.533 50 1 CKGF CC(=O)OOCC=C(C)CCC[C@@H](C)CCCC(C)C 2356725103 IVHAJFHBJVXTNC-HNNXBMFYSA-N 284.440 5.060 50 1 CKGF O=C(O)[C@@H](CCCCCCCCl)CCC1CCCC1 1911581832 IKQGDGUCCMBNLJ-HNNXBMFYSA-N 288.859 5.237 50 1 CKGF C=CCSSSSSSCC=C 15122082 RUEMHHSAZHTSOK-UHFFFAOYSA-N 274.548 5.333 50 1 CKGF in-man CCC=CC=CC=CC=CCCCCCC=CC=O 2356549576 ABCBBMZSTXBGMW-UHFFFAOYSA-N 258.405 5.327 50 1 CKGF CC1=C2C=C(/C(C)=C/C=C\C(C)=C\C=O)C[C@]2(C)CCC1 34962038 JZVQPHGYTPIYGJ-GTEALHKTSA-N 282.427 5.471 50 1 CKGF N#C/C(=C\c1cc(Cl)c(Cl)[nH]1)c1ccc(Cl)cc1 40587776 NARIFGFKBOGVIO-WEVVVXLNSA-N 297.572 5.039 50 1 CKGF C/C1=C/C=C(\C(C)C)CC/C(C=O)=C/CC/C(C)=C/CC1 195346604 SQMACIRXDFOOLF-YWBUDOSYSA-N 286.459 5.941 50 1 CKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/C=O 211872874 QZIWEZUJYZIRFB-HZEYQZKKSA-N 288.475 5.711 50 1 CKGF CC=C(C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356484004 GKDYPJGVJWMRDY-RTBURBONSA-N 294.523 6.571 50 1 CKGF Fc1ccc2c(CCl)c(-c3ccc(Cl)cc3)[nH]c2c1 587632469 DAOQXCULZDWTLP-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF c1ccc(C2CCC3(CC2)CC2(CCCCC2)OO3)cc1 43574895 DELGMIZANSADFG-UHFFFAOYSA-N 286.415 5.138 50 1 CKGF [C-]#[N+][C@@]1(C)CC[C@@H]2[C@@H](C)C[C@@]3(/C=C/C(=C)C)[C@H](C)CC[C@H]1[C@@H]23 55634179 SMTVJJYBXOUWTB-YCWOHVLPSA-N 297.486 5.895 50 1 CKGF N#CSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc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c1occc1SSSSc1ccoc1C 71613678 WCQMHJWTXQMUQE-UHFFFAOYSA-N 290.456 5.585 50 1 CKGF in-man CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C\C=C/C(C)=C/C=O 169347487 OAZOGFWMSSCNFS-MMHTUOFSSA-N 284.443 5.573 50 1 CKGF CCCCCCCC[C@H](Cl)[C@H](Cl)CCCC(=O)O 169621981 MBWXQZXGUAFIDF-QWHCGFSZSA-N 297.266 5.207 50 1 CKGF CC(C)=CCC[C@@H](C)[C@@H]1CC/C(C)=C/C/C=C(/C=O)C1 145386398 BOKICKKUMVGYBA-LBBUYANXSA-N 274.448 5.631 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(CCl)c(C(C)C)c2c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c1ccc2c(c1)CC[C@H]1[C@@](C)(OO)CCC[C@]21C 238740719 SERPESJFVFFAKV-QRVBRYPASA-N 288.431 5.062 50 1 CKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](C(C)C)C[C@@H]12 2356576084 NMKGVVFTZFKWIV-CBBWQLFWSA-N 285.269 5.179 50 1 CKGF CC(C)=CCn1cccc1/C=C(\C#N)c1ccc(Cl)cc1 40605933 KCEPORRGGVVGKN-FOWTUZBSSA-N 296.801 5.172 50 1 CKGF Fc1ccc2[nH]c(CCl)c(-c3ccccc3)c2c1Cl 587627795 AVRIYHUMDSSIDM-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF CC1=CC[C@]2(CC1)[C@@H](C)CC[C@H](Br)C2(C)C 85855595 CWJZZPMNTLBEOG-YDHLFZDLSA-N 285.269 5.323 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(CCCCl)c(C)c2c1 587639227 PMXBSETUVAZVEM-NSHDSACASA-N 263.812 5.161 50 1 CKGF Fc1ccc2c(-c3ccccc3Cl)c(CCl)[nH]c2c1 587632683 HIMNTYSTUNGLOB-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF c1ccc(-c2cnc(SSC3CCCCC3)[nH]2)cc1 95597368 YZUUEDUONFXARK-UHFFFAOYSA-N 290.457 5.150 50 1 CKGF CC(C=O)=CCCC(C)=CCC=C(C)[C@@H]1CC=C(C)CC1 2356378008 SOXVEHBWUOFNNT-HXUWFJFHSA-N 286.459 5.941 50 1 CKGF CC(C=CC=C(C)C=CC1=C(C)C=CCC1(C)C)=CC=O 2356545858 QHNVWXUULMZJKD-UHFFFAOYSA-N 282.427 5.493 50 1 CKGF CC[C@H](C)SSc1nc2ccc(Cl)cc2s1 95596046 QSSJUMOELFEACV-ZETCQYMHSA-N 289.878 5.489 50 1 CKGF CC1=CC=CC(C)(C)C[C@@]1(O[Si](C)(C)C)C(F)(F)F 195492489 ZRFIJUMVILZIJB-ZDUSSCGKSA-N 292.417 5.071 50 1 CKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 2356805100 ZPAABFCLZTVCEH-QPSCCSFWSA-N 283.253 5.099 50 1 CKGF CC=C(C=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356484002 GKDYPJGVJWMRDY-OALUTQOASA-N 294.523 6.571 50 1 CKGF CCCCCCOP(=O)(CCl)OCCCCCC 5244819 GMUDEALXLOJWDR-UHFFFAOYSA-N 298.791 5.570 50 1 CKGF biogenic C=C(C)[C@@H]1C[C@H](Br)[C@@]2(C)CCCC(=C)[C@H]2C1 2356791387 GPOCNIPWJITUKP-XGUBFFRZSA-N 283.253 5.099 50 1 CKGF C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@@H](OO)CC[C@]3(C)[C@H]1CC2 118913148 HJVRTUSHHWYOIN-KYQPOWKGSA-N 292.463 5.277 50 1 CKGF in-vitro CC(C)C1=C[C@@]2(CC[C@](C)(N=C=S)C2)[C@H](C)CC1 166359868 WSYICXWUFKOORH-VNQPRFMTSA-N 263.450 5.031 50 1 CKGF CC(=CC=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356584029 RAFZYSUICBQABU-MOPGFXCFSA-N 294.523 6.571 50 1 CKGF CC(C)=CCCC1=CC=C(C=O)[C@@](C)(CCC=C(C)C)C1 14590519 FENFKJSEQOAPKE-FQEVSTJZSA-N 286.459 5.941 50 1 CKGF c1ccc(SSc2nc3ccccc3s2)cc1 199399066 PETKSSRPKDUIOO-UHFFFAOYSA-N 275.423 5.096 50 1 CKGF S=C=N/C=C\CCCCCCCCC/C=C\N=C=S 137922973 USVYPRXSUPZZRM-MIMPSMLTSA-N 294.489 5.730 50 1 CKGF C=C(C)[C@@H]1CCC[C@]2(C)CCC[C@@](C)(SC#N)[C@H]12 2356333840 WJOKCRYHZPESMJ-ZJIFWQFVSA-N 263.450 5.142 50 1 CKGF CC1=C(/C=C/C(C)=C2/C=C/C(=C/C=O)C2)C(C)(C)CCC1 34962034 PHPBVFJVLKEZBG-DTOWMSEUSA-N 282.427 5.471 50 1 CKGF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1CCCl 587637817 ALVZDXJBTFRRDH-NSHDSACASA-N 263.812 5.025 50 1 CKGF C1CC[C@H]2SS[C@@H]3CCCC[C@H]3SS[C@H]2C1 17217418 VPXVMQIMFNESNB-KKOKHZNYSA-N 292.560 5.385 50 1 CKGF Fc1cc2c(CCl)c(-c3ccccc3)[nH]c2cc1Cl 587628911 UPXFLQQXKMNFHO-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF Cc1cc(Cl)cc2c(CC(C)C)c(CCl)[nH]c12 587623915 TXDDTTVEZCALTL-UHFFFAOYSA-N 270.203 5.067 50 1 CKGF CC1=CC[C@H]([C@](C)(CC=CC(C)C)N=C=S)CC1 2356410519 NANQIVSAUZXVTP-HOTGVXAUSA-N 263.450 5.197 50 1 CKGF [C-]#[N+][C@]12CC=C(C)[C@@H]3[C@@H]1[C@H](CC[C@@H]2C)[C@@H](C)C[C@H]3C=C(C)C 139064007 LWHJQLLQRCVYJH-CZUPSRJTSA-N 297.486 5.895 50 1 CKGF CC(C)=CCCC(C)=CCCC(C)=CCO[Si](C)(C)C 2356696368 WMPDMQCCFFSRIM-UHFFFAOYSA-N 294.555 6.257 50 1 CKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](C(C)C)C[C@@H]12 238760423 NMKGVVFTZFKWIV-QPSCCSFWSA-N 285.269 5.179 50 1 CKGF CC1=CCCC(C=O)=C[C@H]2[C@@H](CCC(C)=CCC1)C2(C)C 2356562921 JJPNQFMBGBBAQG-MOPGFXCFSA-N 286.459 5.631 50 1 CKGF C=C1CCC[C@]2(C)CC[C@@H](C(N=C=S)=C(C)C)[C@H]12 14858437 VFUDZKKVUZCAQY-IJEWVQPXSA-N 261.434 5.156 50 1 CKGF CC1=CC[C@@]2(CC1)C(C)=CC[C@H](Br)C2(C)C 85855552 FATUEZUBMFMGFR-DZGCQCFKSA-N 283.253 5.243 50 1 CKGF C=C(C)/C=C/[C@H](CC/C(C)=C/CC/C(C)=C/C=O)C(C)C 238778957 SLBBPNIKQSQTPG-UNQDXGQHSA-N 288.475 6.043 50 1 CKGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC=C(C)CC2 42803999 ZATQJGNPERFQSF-ZFWWWQNUSA-N 283.253 5.243 50 1 CKGF C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OO)CC[C@]3(C)[C@H]1CC2 118913146 HJVRTUSHHWYOIN-DLEIETQISA-N 292.463 5.277 50 1 CKGF in-vitro CC[C@H](C)c1ccc2[nH]c(CCl)c(CC(C)C)c2c1 587638334 FOYNRKRWEIAQKZ-LBPRGKRZSA-N 277.839 5.619 50 1 CKGF C=C(C)/C=C/[C@H](CC/C(C)=C/CC/C(C)=C\C=O)C(C)C 85948059 SLBBPNIKQSQTPG-ONOMVGCTSA-N 288.475 6.043 50 1 CKGF C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)N=C=O)[C@@H]2CC[C@H]1C3 103144635 AHADBICOHFULNV-IPJCAIGPSA-N 299.458 5.044 50 1 CKGF C/C(=C\C=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 14655245 RAFZYSUICBQABU-NBOAAFDKSA-N 294.523 6.571 50 1 CKGF endogenous,in-man C=C1CC[C@@H](Br)[C@@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 2356805098 ZPAABFCLZTVCEH-BARDWOONSA-N 283.253 5.099 50 1 CKGF CC(C)=CCCC1=CC=C(C=O)[C@](C)(c2ccc(C)o2)C1 40954375 CMUMGHMPLAMKGT-LJQANCHMSA-N 284.399 5.048 50 1 CKGF C=C(C)[C@@H]1CC[C@]2(C)CCC(C=O)=CCCC(C)=CC[C@@H]12 2356690219 PHURJFRMHHEZHX-UFYCRDLUSA-N 286.459 5.631 50 1 CKGF CC[C@H](C)c1ccc2[nH]c(CCCl)c(CCl)c2c1 587638692 IWEGZSHKDFAMRY-JTQLQIEISA-N 284.230 5.202 50 1 CKGF S=C=N/C=C\CCCCCCCCCCCN=C=S 137923852 SJTDNLGHVQEGFQ-BENRWUELSA-N 296.505 5.607 50 1 CKGF CCCCCCCCCCCC[P@](=O)(F)OC 34803450 AUDRDSJPHLTEGD-QGZVFWFLSA-N 266.337 5.716 50 1 CKGF CC1=CC[C@@H](/C(C)=C/C/C=C(\C)CC/C=C(\C)C=O)CC1 59779031 SOXVEHBWUOFNNT-PXRPROSTSA-N 286.459 5.941 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c(CCl)c(-c3ccccc3)c2c1 587639316 RFIFGGXHOIDPPI-CYBMUJFWSA-N 297.829 6.087 50 1 CKGF C=CC(C)=CC[C@H]1C(=C)CC[C@@H](Br)C1(C)C 2356389689 DORXLPMUESEJTL-UONOGXRCSA-N 283.253 5.265 50 1 CKGF S=C=NC=CCCCCCCCCC=CN=C=S 2356495921 KPYNOSFEWCAQPM-UHFFFAOYSA-N 280.462 5.340 50 1 CKGF Fc1cccc2[nH]c(CCl)c(-c3ccccc3Cl)c12 587632475 DNRPVLXOWGYUGZ-UHFFFAOYSA-N 294.156 5.366 50 1 CKGF C[C@@H]1C(=CC=O)CC[C@@H]2[C@@H]1CC[C@H]1C(C)(C)CCC[C@@]12C 2356619556 KFDOSNHRXVNEJW-ILCCUAOLSA-N 288.475 5.400 50 1 CKGF [C-]#[N+][C@]1(C)CC[C@H]2[C@H](C)C[C@@H]3CC(C)(C)CC4=CC[C@@H]1[C@H]2[C@H]43 238735235 URVFUITYTYHSKK-JEHFRGLQSA-N 297.486 5.729 50 1 CKGF CC1=CC=C(C=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)C1 40976544 JKJNIYJVYWKYKU-OAQYLSRUSA-N 288.390 5.087 50 1 CKGF FS(F)(F)(F)(F)c1ccc2nc(C3CCC3)[nH]c2c1 586885105 XEVUFXMEEFCSOH-UHFFFAOYSA-N 298.280 5.488 50 1 CKGF CC(C)=CCC[C@](C)(N=C=S)[C@H]1CC=C(C)CC1 14559117 UDBGTQYSPVXTKN-HOTGVXAUSA-N 263.450 5.341 50 1 CKGF CC[C@@H](C)c1ccc2[nH]c([C@@H](C)Br)c(C)c2c1 587638660 HRHMGFRDNYHDJK-MWLCHTKSSA-N 294.236 5.446 50 1 CKGF C=C(C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 14822642 PTFJEDBJXCZCDO-QZTJIDSGSA-N 280.496 6.181 50 1 CKGF endogenous,in-man CCCCCCCC[C@@H](Cl)[C@H](Cl)CCCC(=O)O 169621982 MBWXQZXGUAFIDF-CHWSQXEVSA-N 297.266 5.207 50 1 CKGF CCCCCCC1=CC=C(C=O)[C@](C)(CCCCCC)C1 35077263 DEMYMBOLBBSDPX-HXUWFJFHSA-N 290.491 6.389 50 1 CKGF