smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(N/N=C/c1ccccc1)c1cccc2nc3ccccc3nc12 6041341 NCDQQKMTJHWNED-FYJGNVAPSA-N 326.359 3.547 50 1 EHGF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](Cl)C(N)=O)cc1 587905995 OMBHWFVLZUBSQL-MRXNPFEDSA-N 334.202 3.514 50 1 EHGF BrCCCc1nc(-c2ccccc2Br)no1 1772602553 LULFVMSYIZKOMT-UHFFFAOYSA-N 346.022 3.827 50 1 EHGF O=C(O)c1cccc2c1CCN[C@@]2(c1ccccc1)C(Cl)Cl 963132452 BIPNXHZSZPBFCF-QGZVFWFLSA-N 336.218 3.578 50 1 EHGF CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4 44264757 JNCYHPJSAHYUHH-CDMOGMFXSA-N 337.460 3.625 50 1 EHGF COc1ccc2c(c1OC)[C@](CCl)(C(F)(F)F)N(C)[C@H](C)C2 962630501 RZWUCHIOCAEIIS-YMTOWFKASA-N 337.769 3.577 50 1 EHGF COC(=O)CCCCCCC(=O)N/N=C/c1cccc2ccccc12 95809071 VKDGEBNFTZSKHE-RCCKNPSSSA-N 340.423 3.804 50 1 EHGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@H]1c1ccc2n[nH]c(C)c2c1 169703230 MCETWHATGTVTFX-NVXWUHKLSA-N 348.406 3.554 50 1 EHGF COc1ccc2c(OC)c3c(nc2c1OC)OC(C)(C)[C@@H](Cl)C3 238766551 NQUWKDORUOOTHV-LBPRGKRZSA-N 337.803 3.582 50 1 EHGF Cc1c(Cl)cccc1NC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 28370013 KMYPLOYERKNWOU-RQZCQDPDSA-N 332.747 3.712 50 1 EHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)C1CC1 587541697 DCNQMRPIWYFCGD-CRAIPNDOSA-N 330.767 3.741 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(F)ccc1F)O2 587383165 YLXMOZHNBCKCMV-QGZVFWFLSA-N 337.753 3.955 50 1 EHGF CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1O 1857578303 KSUWXFVGQIEGAT-BBJIBYMTSA-N 345.830 3.695 50 1 EHGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)on1 587496909 GUBZLUPTNZJAGS-SFHVURJKSA-N 331.799 3.961 50 1 EHGF C/C(=N\NC(=O)c1ccncc1)c1ccc(-n2c(C)ccc2C)cc1 19887728 SMOXUKOIFFFMKS-CJLVFECKSA-N 332.407 3.643 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 587186956 BJUVLNLLLMQBGQ-UXBLZVDNSA-N 343.159 3.924 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2cncc(Br)c2[nH]1 587188407 RMRQWEWQRDCLSO-IZZDOVSWSA-N 325.169 3.785 50 1 EHGF COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)C)[C@@H](C2)C3=O 587412409 BVHURUSTHOZWQU-ZBEGNZNMSA-N 339.229 3.622 50 1 EHGF CN(C)CCSSCCn1cc(-c2cccc(Cl)c2)nn1 618009626 GCNCHQJJVXRPPV-UHFFFAOYSA-N 342.921 3.542 50 1 EHGF CC=C[C@H](Cl)[C@@H]1[C@H]2C[C@@H]3OC(=C(Br)CC)[C@H]1[C@H]3O2 2356802302 SBSVPNZWKLHPCR-RXSPXGNFSA-N 333.653 3.989 50 1 EHGF CCC(C)(C)[C@H]1CCc2n[nH]c(C(=O)N/N=C(/C)c3ccco3)c2C1 5817733 KZGGSTFHLWGOQL-RQZLXBNYSA-N 342.443 3.698 50 1 EHGF CC(C)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(C(=O)O)CC1 3973814 PDFVQJPCHCWDIY-YSGRDPCXSA-N 330.424 3.708 50 1 EHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)C1CC1 587541699 DCNQMRPIWYFCGD-QAPCUYQASA-N 330.767 3.741 50 1 EHGF C=C1CC[C@@H](O)[C@@](C)(O)CCC(=C(C)C)C=C[C@@]2(C)CC[C@H]1OO2 2356792700 KBQFIKUPYYZZMY-ZRNYENFQSA-N 336.472 3.990 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CC1)CC2=O 587456408 OGSHRMHMDPNMIF-MRXNPFEDSA-N 339.229 3.854 50 1 EHGF C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccnc(CCl)n1 587939530 FHJWJWKSFQEEQZ-UHFFFAOYSA-N 341.798 3.944 50 1 EHGF O=C(N/N=C\c1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 31895475 GIMIOKCHAJQOGI-UNOMPAQXSA-N 334.335 3.904 50 1 EHGF C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@H]1OO 71591588 RBMLFMIIGOFFQM-NNXCIVOXSA-N 348.439 3.574 50 1 EHGF C#C/C=C\[C@@H](Cl)[C@H]1[C@@H]2/C(=C(\Br)CC)O[C@@H]3C[C@H]1O[C@H]23 147045240 AYFFHUILZXJDLN-PZFYSLRKSA-N 343.648 3.602 50 1 EHGF CCCC[C@@H](/C=N/NC(=O)Nc1ccccc1)NC(=O)OC(C)(C)C 28570123 JSSPXSZSKGUFLI-SJPXOZHESA-N 348.447 3.877 50 1 EHGF Cc1ccc2nc(C)c(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)cc2c1 33309337 OFBSFFNWJQIYTL-JAIQZWGSSA-N 348.362 3.524 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@]1(C)O[C@]1(Cl)C2 238777562 QHRFNRBIVPGTIX-XSXPHNMFSA-N 349.696 3.991 50 1 EHGF NNC(=O)c1[nH]c2ccc(Cl)cc2c1C1(c2ccccc2)CC1 299836040 XYWVEVGTSAVMCP-UHFFFAOYSA-N 325.799 3.505 50 1 EHGF O=C(CCl)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 653720499 CLLFUTXKBUHRFQ-INIZCTEOSA-N 343.770 3.511 50 1 EHGF CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)C(C)=CC)s1 2356577618 KCKLGAFEWGJTHI-HNNXBMFYSA-N 330.836 3.591 50 1 EHGF C#C/C=C\C[C@@H]1O[C@@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Cl 238764548 UEYIDOJUVGQGFO-GTQVBTPPSA-N 347.680 3.662 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(F)F)CC2=O 587464117 ITPQRYSAVFGLMC-AWEZNQCLSA-N 349.171 3.709 50 1 EHGF COCCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)[nH]c2ccccc12 473249331 URBMAYKWJAXZOJ-DTQAZKPQSA-N 346.386 3.931 50 1 EHGF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Cl)CCl)[nH]c21 587008641 PZHZOWVEDSVJJV-LLVKDONJSA-N 345.185 3.857 50 1 EHGF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC(=CC=O)C(=O)O 2356442709 MZUWQYKAWILNGT-FIYPYCPBSA-N 348.439 3.840 50 1 EHGF C/C(=N\NC(=O)Nc1nc2ccc(C)cc2s1)c1ccc(O)cc1 28823191 OAGUTWSKKRPGTM-RGVLZGJSSA-N 340.408 3.856 50 1 EHGF CCOc1ccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)cc1 369630 LWMUYQDLZDEWKY-ATJXCDBQSA-N 345.402 3.663 50 1 EHGF O=c1c2ccc(Cl)cc2ncn1CCCCCBr 473120522 NYHLVYWHQHYQMR-UHFFFAOYSA-N 329.625 3.615 50 1 EHGF COc1cc2c3c(c1)O[C@@H](c1cc(CCl)ccc1O)[C@@H](C2)C3=O 587420202 GQKVTRHCMXYNMQ-UGSOOPFHSA-N 330.767 3.628 50 1 EHGF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)CCl)c[nH]1)CC2=O 587460621 NZQOGTOUPPDPAE-KRWDZBQOSA-N 347.798 3.801 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H](CBr)[C@@H](CC)O1 2356450510 WWXDSNUMWFIGFH-BYGOPZEFSA-N 347.680 3.519 50 1 EHGF CC[C@H]1C[C@@](CC)(C[C@@H](C)C[C@@H](CC)C(=O)O)OO[C@H]1CC(=O)O 2356536806 CQXMTSDUBPWSJN-SFUJAXRZSA-N 344.448 3.884 50 1 EHGF CC1(C)[C@@H]2CC(=O)[C@@]1(C)[C@@H](OCc1ccccc1)[C@@H]2Br 31852550 NLGHJXPXSDXPOH-UTXMOHQDSA-N 337.257 3.970 50 1 EHGF C/C(=N\NC(=O)Nc1ccc(Br)cc1)c1ccccc1 38807522 WOKXGNUYHHLSHA-WOJGMQOQSA-N 332.201 3.995 50 1 EHGF Oc1ccc(OCCCc2ccccc2)n1-c1ccnc(CCl)n1 587940160 NBOQLDTWELFCRH-UHFFFAOYSA-N 343.814 3.723 50 1 EHGF CN(C)CCCNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40434332 VRIKFQOHARNKNS-SFQUDFHCSA-N 330.435 3.575 50 1 EHGF N#C/C(=C/c1ccccc1)c1nc2ccc(Br)nc2[nH]1 587187479 HKBUEJYBPQFFDU-FLIBITNWSA-N 325.169 3.785 50 1 EHGF COc1ccc(/C=N/NC(=O)Nc2ccccc2Cl)cc1OC 103173360 NUDVHLVJLOQMAT-VCHYOVAHSA-N 333.775 3.513 50 1 EHGF CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@@H](F)C(=CCC1)C2=O 195231889 NICRBWNWTXEOFK-NHBNWDHASA-N 330.475 3.951 50 1 EHGF COc1cc(/N=C2\SSN[C@@H]2Cl)c(OC)cc1Cl 70459643 QMUYCLLEKVBKMY-FWSONLODSA-N 325.242 3.852 50 1 EHGF O=C(N/N=C/c1ccc(F)c(Oc2ccccc2)c1)c1ccccn1 95808843 WVMFMSQSIOWPNE-LPYMAVHISA-N 335.338 3.777 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(F)ccc1F)O2 587383164 YLXMOZHNBCKCMV-KRWDZBQOSA-N 337.753 3.955 50 1 EHGF COC(=O)[C@H]1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1 13475007 YYQZHLREDDREEU-CABCVRRESA-N 330.255 3.547 50 1 EHGF CC(C=O)=C1C=C2CC[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 2356408392 DTLNNBJPRNNBTE-RSPOEFSDSA-N 332.440 3.644 50 1 EHGF O=C(O)CC1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 72114888 XUNUTOXIXGSNCX-UHFFFAOYSA-N 336.428 3.521 50 1 EHGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(N)c(N)cc2[nH]1 586973796 OTQXNLJEHDUUKM-SECBINFHSA-N 345.244 3.774 50 1 EHGF CC(C)[C@@]12C=C3C(=O)C[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@]3(CC1)OO2 2356536793 CFJWRSMUQIAHTA-HTDHLNIYSA-N 348.439 3.672 50 1 EHGF CC(C)=C(C)CC[C@]1(CO)Nc2ccc(C(=O)O)cc2C[C@H]1Cl 2356816981 DGGLCZSELPWDEN-SJLPKXTDSA-N 337.847 3.828 50 1 EHGF Nc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1Cl 1772615881 BAYQEZJNFVOHQG-UFFVCSGVSA-N 339.782 3.545 50 1 EHGF COC(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1OC 587187543 ILEMNVRPSIXDNW-UVTDQMKNSA-N 347.374 3.731 50 1 EHGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1CC)[C@@]24OO3 43871493 PFGRODFYLAFVPX-VTGMPIQNSA-N 326.433 3.621 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(COc1ccccc1)O2 587373019 PBARTFNXUCJWHP-GOSISDBHSA-N 331.799 3.599 50 1 EHGF CCCCCCCCSC(=S)NNC(=O)c1ccccn1 169335736 WWINVGZUUXRZAI-UHFFFAOYSA-N 325.503 3.695 50 1 EHGF Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccco3)cc2)c1 15986800 VJZFERBYFAAVPR-BKUYFWCQSA-N 347.374 3.604 50 1 EHGF COc1ccc(/C=C\c2cccc(NC(=O)NCCCl)c2)cc1O 28896296 QGHODBABWXJAGH-WAYWQWQTSA-N 346.814 3.932 50 1 EHGF COC(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101603 IMSJYUSFZZUYLL-QGZVFWFLSA-N 337.762 3.899 50 1 EHGF COC(=O)c1cc(Cl)c2[nH]c(CCCCBr)nc2c1 586972462 SFHNJDHTHBMBIZ-UHFFFAOYSA-N 345.624 3.721 50 1 EHGF COc1cc(OC)cc(C(=CC#N)c2ccc(OC)c(OC)c2)c1 1857623301 QNZGJJKAOJFFSP-UHFFFAOYSA-N 325.364 3.676 50 1 EHGF Cc1cc(C(C)(C)NC(=O)[C@@H](Br)C(C)(C)C)cc(C)n1 1503236 AOEMSQHYYYHFRN-CYBMUJFWSA-N 341.293 3.859 50 1 EHGF COC(=O)/C=C(\C=O)[C@H](O)C[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 238767224 TVEPRAJDQDBLSD-PISNMXKNSA-N 348.483 3.835 50 1 EHGF Cc1occc1C(=O)N/N=C\C(Br)=C\c1ccccc1 15986245 JLHFRTYOQNRVGP-FNIQPLQKSA-N 333.185 3.740 50 1 EHGF CCC(C=CC(C)=O)=C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356788999 CTKYMISRICLVAY-ZIFCJYIRSA-N 338.444 3.927 50 1 EHGF COc1ccc(/C=C(\C#N)n2nc3cc(C)c(C)cc3n2)cc1OC 72124344 WOZDNMDGWZKZKE-OQLLNIDSSA-N 334.379 3.587 50 1 EHGF COc1cccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1 13676429 LKFIVBGEUXRLJH-UHFFFAOYSA-N 344.750 3.760 50 1 EHGF CCCCc1ccccc1N1N=C2COC(C)(C)C=C2C(C#N)=C1N 13838719 WNNCIIKGQKJHGB-UHFFFAOYSA-N 336.439 3.634 50 1 EHGF C1CCN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)C1 169321450 ICLNSTPXPOETCU-UHFFFAOYSA-N 349.471 3.784 50 1 EHGF O=[N+]([O-])c1ccc(N2Cc3ccccc3C[C@@H]2CCl)c([N+](=O)[O-])c1 1772654583 WTRXEEIVLINBGD-CQSZACIVSA-N 347.758 3.673 50 1 EHGF C[C@]12Nc3ccccc3C1=C(c1ccccc1)C[C@H]1C(=O)OC(=O)[C@@H]12 73373071 VLCGADBNBBMNEO-FPDPHYFHSA-N 331.371 3.501 50 1 EHGF O=C1C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H](c2ccccc2)C1 103294643 SQYPYZUIDTZWHO-HDICACEKSA-N 327.811 3.899 50 1 EHGF COc1ccc(C(=O)/C=C/c2ccc(OC[C@@H](O)CCl)cc2)cc1 66251757 MNTSIWDTEPHAQO-VBGPOXQHSA-N 346.810 3.570 50 1 EHGF C#C/C=C\C[C@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl 136555563 VRGYZGMXCGNRKB-NJPPOBOZSA-N 347.680 3.662 50 1 EHGF COCc1ccc([C@@]23CC[C@H]4CCCC[C@@]4(OO2)[C@H](OC)O3)cc1 101364146 LYDVQBGYZQEHDA-OQIJWPOYSA-N 334.412 3.660 50 1 EHGF CN(C)CCOc1ccc(/C=C(\C#N)c2noc3ccccc23)cc1 40554505 FYEUWUBRULOFIA-DTQAZKPQSA-N 333.391 3.832 50 1 EHGF CC(C)CC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 253643402 CWKYOGKBSDJJRH-IADIPTBJSA-N 338.444 3.811 50 1 EHGF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Br)CC2=O 587457026 UKQWJALSSOMSJS-VFZGTOFNSA-N 327.218 3.852 50 1 EHGF O=C1[C@@H](Cl)[C@@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 49036746 KFGKOLTXVZTWPM-DOTOQJQBSA-N 342.757 3.775 50 1 EHGF CC1(C)[C@@H]2C[C@@H]3O[C@]3(C)[C@]13C[C@@H](Br)[C@](C)(Cl)C[C@H]3O2 238770886 FRPLQWPAMFUPFL-HFIXOAAKSA-N 349.696 3.882 50 1 EHGF COC1=C(C=O)C[C@H](O)[C@]2(C)CC(=O)[C@@]3(C)CCC(C(C)C)=C3[C@@H]2C1 2356429165 MPDGJYJEWOWKAO-YHEJVBIMSA-N 346.467 3.589 50 1 EHGF CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)[C@H](C)CC)s1 238748637 FENHLPQAMQSGQO-CABCVRRESA-N 332.852 3.671 50 1 EHGF C[C@@H]1OC(=O)C(=CCCCCCCCCC[C@@H]2C=CCOO2)[C@@H]1O 2356437723 DQANUGZSSLNMMY-LZLYRXPVSA-N 338.444 3.617 50 1 EHGF O=c1oc2ccc(CBr)cc2c2ccc([N+](=O)[O-])cc12 28349253 XVVDAQKSNQYMJV-UHFFFAOYSA-N 334.125 3.749 50 1 EHGF O=C(NNCCCC1CCCC1)c1ccc(Br)cc1 261171187 SYMKTBFFFIYEDY-UHFFFAOYSA-N 325.250 3.654 50 1 EHGF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@]1(O)C=C[C@](C)(CO)OO1 2356484960 NPMACKFPVVMSDC-UEDWAMCQSA-N 334.456 3.663 50 1 EHGF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)OO)COC(=O)[C@H]12 2356553041 LYNQLUCBGBCZBC-AXVVYFOYSA-N 348.439 3.814 50 1 EHGF CC[C@]1(CCCl)SC(N2c3ccccc3OC[C@H]2C)=NC1=O 103184078 LCCXIQFBHLLBCZ-BDJLRTHQSA-N 338.860 3.681 50 1 EHGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CC/C(=C/Cl)C(=O)C2 238787331 CLTCUZKWEBWLIY-RZOCALEESA-N 347.680 3.959 50 1 EHGF C#Cc1cc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)ccc1OC 95574971 MFCSQHVKVZZGAZ-LICLKQGHSA-N 349.386 3.766 50 1 EHGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(O)c2)ccc1OC 35875894 CWTRJWKDYPPKFI-OQLLNIDSSA-N 325.364 3.763 50 1 EHGF COc1cc2c3c(c1)O[C@@](CCl)([C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O 587420766 IQFASZVLVAIYLL-KTYXPDEKSA-N 332.827 3.856 50 1 EHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)CCCBr 963636727 RURXUXLQVPVNGD-MEDUHNTESA-N 342.277 3.628 50 1 EHGF CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CCC(C=O)=CCC[C@@]1(C)O[C@@H]1C2 1857627391 HFYSQTZIFVBRTC-WAPOTWQKSA-N 336.472 3.558 50 1 EHGF CC(C)(C)N(NC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1 382977 OVACNROEBIXWGL-UHFFFAOYSA-N 329.375 3.803 50 3 EHGF COC(=O)/C=C/[C@@]1(C)CCOC(=C2C3CC4CC(C3)CC2C4)OO1 44018530 VSMNODFZCZPNKU-PUMHYMRSSA-N 334.412 3.511 50 1 EHGF CC[C@@]1(CCCBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411581 FAQQARKDMCGSKP-WBMJQRKESA-N 339.229 3.767 50 1 EHGF ClC[C@@H](Cl)c1nc2cccc(I)c2[nH]1 587008232 MHRRIWLASULLRH-RXMQYKEDSA-N 340.979 3.686 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](c3cccn3C)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 139870781 GKPMNMIGONGFPL-SNLCDYOMSA-N 347.455 3.948 50 1 EHGF Cc1ccccc1-n1c(CBr)nc2ccccc2c1=O 1849317 MVIGBJFUNVNUIP-UHFFFAOYSA-N 329.197 3.589 50 1 EHGF C=C1CC[C@H](O)[C@@](C)(O)CCC(=C(C)C)C=C[C@@]2(C)CC[C@H]1OO2 2356792698 KBQFIKUPYYZZMY-FYQPLNBISA-N 336.472 3.990 50 1 EHGF Cc1ccc(-n2nc(C)c3c2[C@@H](Br)C(C)(C)CC3=O)nc1 61942803 RTCMKAHTBJUOFR-OAHLLOKOSA-N 348.244 3.933 50 3 EHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CC2)N1 587687233 ZJVNKCFYZMVABO-CLAHSXSESA-N 332.644 3.967 50 1 EHGF C#C/C=C\[C@H](Cl)[C@@H]1[C@@H]2/C(=C(\Br)CC)O[C@@H]3C[C@H]1O[C@H]23 36433911 AYFFHUILZXJDLN-FENSSTCISA-N 343.648 3.602 50 1 EHGF biogenic,in-vitro C[C@H]1C(=O)C[C@@H]2O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@@]31C2(C)C 238771876 AMBZPRYSLXAMTB-ZZOQULRCSA-N 349.696 3.930 50 1 EHGF CC[C@]1(CCCl)SC(N2c3ccccc3OC[C@@H]2C)=NC1=O 103184072 LCCXIQFBHLLBCZ-MEDUHNTESA-N 338.860 3.681 50 1 EHGF CC(C)(CCl)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546390 WJGIOSSKHJONPN-YOEHRIQHSA-N 332.783 3.987 50 1 EHGF CCCCOc1ccc(/C=C/C(=O)OCCBr)cc1 27656013 GPQQZZJSPPWTEB-RMKNXTFCSA-N 327.218 3.817 50 1 EHGF O=C(NCCCl)Nc1ncccc1OCc1ccc(Cl)cc1 1772579953 YEORIFQYWAMHQI-UHFFFAOYSA-N 340.210 3.674 50 1 EHGF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]2C(=C)C[C@H](OO)C1 2356495418 REWCSPDCOFIPKP-KURKYZTESA-N 348.439 3.574 50 1 EHGF O=C(NNc1c(Cl)cncc1Cl)C1C2CC3CC(C2)CC1C3 84652271 MEAJMPYJHVKTKS-UHFFFAOYSA-N 340.254 3.904 50 1 EHGF C#C/C=C/[C@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 238757788 AYFFHUILZXJDLN-FMTNCURBSA-N 343.648 3.602 50 1 EHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CC2)N1 587685692 RGXGMPWJMQGVCD-XLKFXECMSA-N 332.644 3.967 50 1 EHGF CCCCCCC/C(C)=N/NC(=O)CC(=O)NCCc1ccccc1 8426836 ZTLTUVJAGMOHML-OQKWZONESA-N 345.487 3.588 50 3 EHGF C[C@H](Cl)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26577026 MXLRMPHJMDAKJJ-ZBEGNZNMSA-N 344.798 3.671 50 1 EHGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCCCc1ccccc1 13821500 DGNPQJDIHXBGJD-SFQUDFHCSA-N 337.375 3.571 50 1 EHGF O=c1c2ccccc2oc2cc(OCCCBr)cc(O)c12 40403679 WOURPVRGKHZHAZ-UHFFFAOYSA-N 349.180 3.816 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 102164808 CWKYOGKBSDJJRH-JXNVIROKSA-N 338.444 3.811 50 1 EHGF CC(C)CC(=NNC(=O)c1ccncc1)c1cc(Cl)ccc1O 263606949 RKYOOFYXWKNEDT-UHFFFAOYSA-N 331.803 3.621 50 1 EHGF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CCl)c1)[C@@H](C2)C3=O 587423703 VMIIQBRQOSRAIZ-LIRRHRJNSA-N 344.794 3.931 50 1 EHGF CN(C)C[C@H](Br)c1ccc(F)c(Br)c1 169345638 QCLMWTSYFDWRGO-VIFPVBQESA-N 325.019 3.586 50 1 EHGF CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1O 1857578304 KSUWXFVGQIEGAT-PZUDMAOCSA-N 345.830 3.695 50 1 EHGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2c1 95809406 DVEWQEVGWJRSLF-RCCKNPSSSA-N 340.423 3.804 50 1 EHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@H]2C[C@@H]1Cl 2356451684 NVMRARRBFWEZAC-UQGHGMQMSA-N 347.680 3.662 50 1 EHGF CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C=O)=CC(=O)O 2356546271 GCNXFAAYPBCBND-ISJOWMGUSA-N 332.440 3.954 50 1 EHGF CC(C)C1=C2[C@@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(C(=O)O)CC1 2356720966 PDFVQJPCHCWDIY-BEVDRBHNSA-N 330.424 3.708 50 1 EHGF CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587087666 SNTVLJFMRAKSPX-GFCCVEGCSA-N 340.196 3.632 50 1 EHGF CN(C)CCSSCCNC(=O)c1ccc(C(C)(C)C)cc1 618009056 RAMNJECJBTZSSJ-UHFFFAOYSA-N 340.558 3.657 50 1 EHGF COC(=O)c1cccc2nc3c(C(=O)CCCCl)cccc3nc12 103223573 IZFCTERWKGOBKW-UHFFFAOYSA-N 342.782 3.771 50 1 EHGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2O[C@@]2(C)CC[C@@H]1OO 2356396989 CSKUUHDAPAWYTK-VKESLTNKSA-N 348.439 3.957 50 1 EHGF Cc1ccc(/C=C(\C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587188728 WCIJPHBDTUXTDD-WUXMJOGZSA-N 349.306 3.752 50 1 EHGF COc1cc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)ccc1C#N 103286586 CWZCUMLAKJANAL-LHRNQBEKSA-N 334.847 3.735 50 1 EHGF Cc1ccc(/C=N/N(C(=O)c2ccccc2)C(=O)c2ccncc2)cc1 103171857 WXIUYLCFGBNRCR-HZHRSRAPSA-N 343.386 3.707 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2C[C@H]([C@H](Br)CC)O1 2356690990 SYCAFZZXXDLZEM-DXUDUQDWSA-N 347.680 3.662 50 1 EHGF Clc1ccc([C@@H]2OCCc3c2noc3CBr)cc1 103182991 IPMXHADMPVXWFK-ZDUSSCGKSA-N 328.593 3.885 50 1 EHGF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C=O)=CC(=O)O 2356584873 VKEKGTDLIXNKKE-QKYXUNIQSA-N 332.440 3.954 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@]1(C)O[C@]1(Cl)C2 2356758905 QHRFNRBIVPGTIX-IXDBCEGASA-N 349.696 3.991 50 1 EHGF CCCCCCN1C(=O)/C(=N\NC(=O)OC(C)(C)C)c2ccccc21 40379180 AATLEGKAWRGXIO-SILNSSARSA-N 345.443 3.842 50 1 EHGF CC1(C)OC(=O)C(C#N)=C1/C=C/c1coc2ccc(Cl)cc2c1=O 1630853 OSJPOPLWXBQLLX-HWKANZROSA-N 341.750 3.615 50 1 EHGF O=C(N/N=C\c1cccc2c([N+](=O)[O-])cccc12)Nc1ccccc1 6006321 ZFGLIRPADFHFKT-UNOMPAQXSA-N 334.335 3.904 50 1 EHGF CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)/C(C)=C\C)s1 238741247 KCKLGAFEWGJTHI-AGKVCYSUSA-N 330.836 3.591 50 1 EHGF CC[C@@H]1OC(=O)CCCCC=CCC=C[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 253952415 ZUMREQQVIGWVIM-VNIVASGNSA-N 326.864 3.989 50 1 EHGF CC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689104 PNQXVOJHNGTJMC-ISEFBEROSA-N 348.643 3.534 50 1 EHGF COC(=O)C=C(C=O)[C@H](O)C[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356569862 TVEPRAJDQDBLSD-NEYJZJCJSA-N 348.483 3.835 50 1 EHGF C/C(C=O)=C1\C=C2CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@]2(O)CC1 14496134 DTLNNBJPRNNBTE-YWUSLYSRSA-N 332.440 3.644 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)CCCl)cc1)O2 587375739 OMXYBQWFOCLMOY-SFHVURJKSA-N 344.842 3.959 50 1 EHGF O=CC1=C(Cl)c2sc3nc4n(c(=O)c3c2CCC1)CCCCC4 45302894 SWENRCJTGPMICB-UHFFFAOYSA-N 348.855 3.670 50 1 EHGF O=Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587500230 ZFRMRLSORSDNKU-LJQANCHMSA-N 343.810 3.806 50 1 EHGF CC(C)COc1cc2nc([C@H](N)CCl)[nH]c2cc1Br 587009367 BWNPWCCXQMGIDB-SECBINFHSA-N 346.656 3.599 50 1 EHGF CC(=CCO)CCC=C(C=O)CCC[C@@H](C)C(=O)C=CC(C)(C)O 2356688661 IJNXCNLFOIXWSL-QGZVFWFLSA-N 336.472 3.533 50 1 EHGF O=C(c1coc2ccccc12)[C@@H](Br)CBr 587280449 FPVGFZWNOVUHSY-VIFPVBQESA-N 331.991 3.774 50 1 EHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CC2)N1 587687235 ZJVNKCFYZMVABO-RMLUDKJBSA-N 332.644 3.967 50 1 EHGF Cc1ccc(-n2nc(C)c3c2[C@H](Br)C(C)(C)CC3=O)nc1 61942805 RTCMKAHTBJUOFR-HNNXBMFYSA-N 348.244 3.933 50 3 EHGF C[C@@H]1CCC[C@@]23OO[C@@](C)(CC[C@@H]12)O[C@H]3OC(=O)Cc1ccccc1 43834361 MJJUSKUKYJUPQQ-IMWRDGPWSA-N 346.423 3.762 50 1 EHGF CC(C)C1=C(O)C(=O)C2=C(C1=O)C(C=O)=C1C(C)(C)CCC[C@@]21C 85916283 AXUDKNLRFSBRIY-FQEVSTJZSA-N 328.408 3.628 50 1 EHGF biogenic,in-vitro O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccncc1 83327894 OWQVHPNKQSCIIN-GDTGVCFYSA-N 327.387 3.929 50 1 EHGF O=C(O)CCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49784042 VPMVUOFXSLVQBO-UHFFFAOYSA-N 336.428 3.869 50 1 EHGF C[C@H](Cl)OC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N 1772570303 AXYBICDPSFEJLS-SECBINFHSA-N 338.770 3.548 50 1 EHGF CCOc1ccc(/C=N/NC(=O)c2c(O)ccc3ccccc23)cc1 1857573793 ZPKWQNYHCGLEDA-FYJGNVAPSA-N 334.375 3.708 50 1 EHGF CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CCC(C=O)=CCC[C@]1(C)O[C@H]1C2 2356332520 HFYSQTZIFVBRTC-RMMWZPCPSA-N 336.472 3.558 50 1 EHGF O=C1c2ccc3cc(CCl)cc(O)c3c2C(=O)c2cccc(O)c21 5941522 QCKRRTWPKGTEKP-UHFFFAOYSA-N 338.746 3.765 50 1 EHGF biogenic Cc1ccc2c(c1)-c1nc(N)nc([C@@H]3CC[C@H](Br)O3)c1C2 28128534 CNDPNXGEKIICHK-QWHCGFSZSA-N 346.228 3.511 50 1 EHGF CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br 58566595 VSBKCGGDJNPCGU-CLWVCHIJSA-N 345.277 3.748 50 1 EHGF C#C/C=C/C[C@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl 145299377 VRGYZGMXCGNRKB-FKYAUMJASA-N 347.680 3.662 50 1 EHGF O=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1Cl 96167317 HGWFRRPDGLMRNV-DNTJNYDQSA-N 340.185 3.695 50 1 EHGF COc1cc2c3c(c1)O[C@](CCl)(Cc1ccc(F)cc1)[C@@H](C2)C3=O 587427929 KBAXUSWNYNBMKI-KXBFYZLASA-N 346.785 3.802 50 1 EHGF CN(C)CCOc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188821 VXLAOIPKODFLPZ-FOWTUZBSSA-N 332.407 3.567 50 1 EHGF COc1ccc(Cl)cc1C#Cc1ccc([C@H](Cl)C(N)=O)cc1 587905968 OMBHWFVLZUBSQL-INIZCTEOSA-N 334.202 3.514 50 1 EHGF Cc1ccnc2c1CCN[C@@]2(CCCCl)c1ccc(C#N)cc1 963068379 KLIGFPNUIGYFAF-IBGZPJMESA-N 325.843 3.670 50 1 EHGF C#C/C=C\C[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@H](Cl)CC)O1 59151545 VFEVOEOMQSLWCB-SXKIPKRESA-N 345.266 3.836 50 1 EHGF Cc1ccc2ccccc2[n+]1CCCCI 72138561 PGGSPOIQHZXTQU-UHFFFAOYSA-N 326.201 3.651 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1nc3ccccc3[nH]1)O2 587370570 AHIKEPJQHBZGMM-GOSISDBHSA-N 341.798 3.553 50 1 EHGF BrCCCc1nc(-c2cccc(Br)c2)no1 1772574190 OGGLNOYORQSADE-UHFFFAOYSA-N 346.022 3.827 50 1 EHGF CN(C)/N=N/c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 18057161 INYXVAACMDOPLO-BEHKCWOLSA-N 329.791 3.664 50 1 EHGF CCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 38158797 CBDFWIKOPAPNRI-MDBUGZKMSA-N 338.444 3.955 50 1 EHGF CN1C(=O)C[C@@H]2CN[C@H](c3ccccc3CCl)c3cccc1c32 963022185 IDLLUDZXXXXXAW-BFUOFWGJSA-N 326.827 3.568 50 1 EHGF Cc1c(C(=O)N/N=C\c2c(O)cccc2Cl)oc2cccc(O)c12 1911576428 GSKVPZGSIQFVDM-UWVJOHFNSA-N 344.754 3.570 50 1 EHGF C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2C(=CC=CC(C)(C)OO)COC(=O)[C@@H]12 2356553043 LYNQLUCBGBCZBC-NHAYFPRASA-N 348.439 3.814 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cccn1C)CC2=O 587458615 CNRWRJXJMZPRPL-SFHVURJKSA-N 333.815 3.783 50 1 EHGF Cc1ccc([C@H]2[C@@H]3CSCCC3=C(C#N)C(=N)C2(C#N)C#N)cc1 169690134 MZXFBGXXYIVGJX-SJORKVTESA-N 332.432 3.719 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911583112 YMYXINQMBFJSLN-CMDXXVQNSA-N 336.350 3.799 50 1 EHGF Cc1n[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)OC(C)(C)C 26572946 DKFLDODCRPBDPS-SECBINFHSA-N 337.807 3.654 50 1 EHGF O=C(CCCCCl)c1c(CO)oc2cc(Br)cnc12 587275422 AHTXJQBAJFUCOC-UHFFFAOYSA-N 346.608 3.674 50 1 EHGF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CI)C1 13584826 OCCOPDTVLJQBPD-WCQYABFASA-N 349.643 3.810 50 1 EHGF CCC(C=O)(CC)SSC(/C=N\CC(=O)OC)(CC)CC 73195580 GYRXHSDGKQEHTF-WJDWOHSUSA-N 333.519 3.928 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@@]1(C)O[C@@]1(Cl)C2 2356758906 QHRFNRBIVPGTIX-OPYWOCCESA-N 349.696 3.991 50 1 EHGF CC1=C(C=O)C[C@@H]2[C@@](C)(CC/C(C=O)=C\C(=O)O)[C@H](C)CC[C@@]12C 238787418 GCNXFAAYPBCBND-IOGSTKJCSA-N 332.440 3.954 50 1 EHGF CCOc1cc(C(=CC#N)c2ccc(OC)c(O)c2)ccc1OC 1857623300 CWTRJWKDYPPKFI-UHFFFAOYSA-N 325.364 3.763 50 1 EHGF CCO[P@](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C 900688 HOQADATXFBOEGG-OAQYLSRUSA-N 345.401 3.890 50 1 EHGF in-man C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@@H]2C[C@H]1Cl 2356451683 NVMRARRBFWEZAC-PMKSJIGOSA-N 347.680 3.662 50 1 EHGF Clc1ccccc1[C@@H]1OCCc2c1noc2CBr 103187059 LFIRIMSXXBPYTC-ZDUSSCGKSA-N 328.593 3.885 50 1 EHGF C[C@@H](Br)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 73197686 SZFHUBNCDBTHCZ-ANYFNZRUSA-N 348.196 3.898 50 1 EHGF C=C[C@@](O)(CBr)CC[C@@H](Br)C(C)(C)Cl 1638707 SEFMGOQEBNDFOL-SCZZXKLOSA-N 348.506 3.860 50 1 EHGF CC[C@H](C[C@H](C)C[C@]1(CC)C[C@@H](CC)[C@H](CC(=O)O)OO1)C(=O)O 2356536805 CQXMTSDUBPWSJN-CIBFVHANSA-N 344.448 3.884 50 1 EHGF COC(=O)C=C(C=O)[C@H](O)C[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356569859 TVEPRAJDQDBLSD-IKVWTGGYSA-N 348.483 3.835 50 1 EHGF C#CC=CC[C@@H]1OC(=C(Br)CC)[C@@H](O)C=CC[C@H]1Cl 2356570149 XYUJUEHWMGNBRZ-RDBSUJKOSA-N 345.664 3.896 50 1 EHGF N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc2ccccc2nc1Cl 40548063 XGDYCSCBQPGDKF-KRWDZBQOSA-N 349.777 3.812 50 1 EHGF CCOc1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C 103197567 OPQJAPAPDDHCCF-UHFFFAOYSA-N 340.423 3.671 50 1 EHGF CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)Cl 587902691 MDGZOVLCFKTCGF-UHFFFAOYSA-N 337.206 3.652 50 1 EHGF Clc1ccc(N(CCBr)CCBr)cc1 1557965 WBIZQZAVAKXXTG-UHFFFAOYSA-N 341.474 3.936 50 1 EHGF CC1(C)CCC[C@@]2(C)[C@@H]3CC=C(C=O)C[C@@H](CO)[C@@]3(C=O)CC[C@H]12 2356481250 JOKFOZRVFLIBRS-LBHSNNGHSA-N 332.484 3.942 50 1 EHGF Oc1ccc2c(c1)[C@@](CCl)(c1c[nH]c3ccc(F)cc13)NCC2 963351701 IDUUSKKRVKITEI-SFHVURJKSA-N 330.790 3.641 50 1 EHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Cl 2356451681 NVMRARRBFWEZAC-GXYBRJDSSA-N 347.680 3.662 50 1 EHGF COC(=O)c1cc2[nH]c(/C(C#N)=C/c3ccc(C)cc3)nc2cc1OC 587188440 SWMQTGIYZOUCTN-RIYZIHGNSA-N 347.374 3.731 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587187258 FKGMFRCZKDGFKW-NTEUORMPSA-N 329.338 3.952 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCO3)O2 587370996 CHRKPVVVBTTWEK-IBGZPJMESA-N 343.810 3.612 50 1 EHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CC2)N1 587687237 ZJVNKCFYZMVABO-RTHLEPHNSA-N 332.644 3.967 50 1 EHGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 1645205 QXENDZJUHJOOLP-XDHOZWIPSA-N 334.335 3.904 50 1 EHGF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)O)[C@]2(C)CCC(C=O)=CC(=O)O 2356678009 NHEQOXRJNUCTNP-FIYPYCPBSA-N 348.439 3.840 50 1 EHGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587187661 KPZCWIXDTADXHL-YBEGLDIGSA-N 330.391 3.637 50 1 EHGF CCc1cc(C(=O)N[C@H](CCl)c2ccc(C(C)(C)C)cc2)n(C)n1 103170005 FWBZRKNSXIYHPI-MRXNPFEDSA-N 347.890 3.990 50 1 EHGF CCCC[C@H](O)C=C[C@@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2 2356851756 QJMSVQBPOXPBFN-QXDIGNSFSA-N 338.444 3.630 50 1 EHGF COC(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587086860 HXENRUWUCWYALL-JTQLQIEISA-N 329.169 3.534 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccccn1)CC2=O 587460409 MJXKBHXIOTUKDO-GOSISDBHSA-N 331.799 3.839 50 1 EHGF C=C[C@](O)(CBr)CC[C@H](Br)C(C)(C)Cl 1638706 SEFMGOQEBNDFOL-WCBMZHEXSA-N 348.506 3.860 50 1 EHGF C=C(C)C(=O)CC/C(C=O)=C\COc1cc(=O)oc2cccc(C)c12 15120631 IXOGBQKENCHXCF-OQLLNIDSSA-N 340.375 3.531 50 1 EHGF COc1ccc(Br)c(C(=O)N/N=C\c2ccc(C)cc2)c1 103187518 YTJAQVWMYVAAHW-ZDLGFXPLSA-N 347.212 3.530 50 1 EHGF O=C(N/N=C/c1cccc2ccccc12)c1ccc2c(c1)OCCCO2 1772607312 AEJXWKLYTCECCO-HYARGMPZSA-N 346.386 3.765 50 1 EHGF C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Br)s1 5381814 ZYGDCARIGCHCQZ-LZYBPNLTSA-N 341.205 3.804 50 1 EHGF CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4 169371514 JNCYHPJSAHYUHH-VHBIRMJSSA-N 337.460 3.625 50 1 EHGF C#C/C=C\C[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Cl 28965977 NVMRARRBFWEZAC-OXXOWAFVSA-N 347.680 3.662 50 1 EHGF C[C@@H]1Cc2cc(Br)c(F)cc2C(CCl)(CCl)N1 587688701 NFMQWZRJMWFAFQ-SSDOTTSWSA-N 341.051 3.795 50 1 EHGF N=C(CCl)NCCCc1nn(CC2CCCC2)c2ccccc12 1857652794 GRZLMBNRDLTGCD-UHFFFAOYSA-N 332.879 3.965 50 1 EHGF CC(C)C1=C(O)C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)C1=C2C=O 100077568 RQYVSWXPOCVYOG-HXUWFJFHSA-N 328.408 3.628 50 1 EHGF biogenic,in-vitro CC[C@H](/C=C/C(C)=O)C[C@]1(C)C[C@H](CC)[C@H](CC(=O)OC)OO1 238758533 WEYWQMIIZQNRQV-WTFRRKHBSA-N 326.433 3.616 50 1 EHGF O=C(NN=Cc1ccccc1)[C@@H](Oc1ccccc1)c1ccccc1 254047185 MHHWUHZTOXRQSE-FQEVSTJZSA-N 330.387 3.957 50 3 EHGF O=C(NNc1nc2ccccc2n2cccc12)c1c[nH]c2ccccc12 28640181 LTZQIKCRFULMEP-UHFFFAOYSA-N 341.374 3.726 50 1 EHGF Cl[C@@H]1CCCCC[C@@H](Cl)C12NCCc1nc3ccccn3c12 962983301 BNRNFPQCPORMRE-ZIAGYGMSSA-N 338.282 3.854 50 1 EHGF COC(=O)[C@@H]1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1 26937447 YYQZHLREDDREEU-HUUCEWRRSA-N 330.255 3.547 50 1 EHGF CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br 72174831 VSBKCGGDJNPCGU-UGQVUOCMSA-N 345.277 3.748 50 1 EHGF Fc1cc2[nH]c(/C=C/CBr)nc2cc1Br 586974747 YZFAEPAYOOVYSH-OWOJBTEDSA-N 333.986 3.873 50 1 EHGF C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccc(Cl)cc1 1772654450 IMRUDPQQRPSCBV-DQAKUKQTSA-N 326.783 3.920 50 1 EHGF O=C(NN=C/C(Br)=C/c1ccccc1)c1ccc(F)cc1 253677741 DDIIRZQBKNPUTJ-IOQKDPEHSA-N 347.187 3.977 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccccn1)CC2=O 587460414 MJXKBHXIOTUKDO-SFHVURJKSA-N 331.799 3.839 50 1 EHGF CN(C)c1ccc(C(=NNC(=O)c2ccccc2)c2ccccc2)cc1 2356466717 QOSXHMSROPTLAW-UHFFFAOYSA-N 343.430 3.935 50 1 EHGF Cc1ccc(-c2cc(-c3ccccc3)nc(/C(C#N)=C(\N)O)n2)cc1 103521966 WEEOMBVPFMQJPT-KNTRCKAVSA-N 328.375 3.828 50 1 EHGF O=S(=O)(c1ccc(Cl)cc1)n1c(CCl)nc2ccccc21 103189653 ALYJYYYQSKNUDZ-UHFFFAOYSA-N 341.219 3.666 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccn(C)c1)CC2=O 587461751 SOXVIRLIADYEGB-GOSISDBHSA-N 333.815 3.783 50 1 EHGF O=C(N/N=C/C(Br)=C\c1ccccc1)c1ccc(F)cc1 5731348 DDIIRZQBKNPUTJ-KMKPNOTNSA-N 347.187 3.977 50 1 EHGF CC(C)CC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169319696 CWKYOGKBSDJJRH-BYLAAXHHSA-N 338.444 3.811 50 1 EHGF CC1(C)Oc2c(c(O)nc3ccccc23)[C@H]2[C@H]1CC[C@](C)(O)[C@@H]2Cl 2356871941 YMYIMKIYRMUBDY-AYJDZPCBSA-N 347.842 3.963 50 1 EHGF COc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)ccc1O 13864055 KESRGBXXKNOHPB-HYARGMPZSA-N 346.386 3.832 50 1 EHGF CCCCC[C@@H](/C=C/[C@H](O)[C@H](O)CCCCCCCC(=O)O)OO 102183595 OMGHMRGMXCUWQA-XFMWCYPDSA-N 346.464 3.518 50 1 EHGF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@@H]2C(=C)C[C@@H](OO)C1 2356495420 REWCSPDCOFIPKP-RCCFBDPRSA-N 348.439 3.574 50 1 EHGF C[C@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541306 ASTUUJAXYKCNPO-WBMJQRKESA-N 339.174 3.916 50 1 EHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CC2)N1 587685684 RGXGMPWJMQGVCD-CLAHSXSESA-N 332.644 3.967 50 1 EHGF O=C(O)c1cccc2c1CCN[C@@]2(CCCCl)c1ccc(F)cc1 963128499 AUDNBJBVEYHUSD-IBGZPJMESA-N 347.817 3.932 50 1 EHGF O=C(CCCCCCC(=O)Nc1ccccc1O)NN=C1CCCC1 95809732 FWVPEOBQRAMAQL-UHFFFAOYSA-N 345.443 3.718 50 1 EHGF CN1C(=O)C[C@@H]2CN[C@@H](c3ccccc3CCl)c3cccc1c32 963022188 IDLLUDZXXXXXAW-YJYMSZOUSA-N 326.827 3.568 50 1 EHGF COC(=O)NNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1858610 HZBVEYLECKQCQO-UHFFFAOYSA-N 325.195 3.943 50 1 EHGF O=C(NNc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12 27212114 SDFVTNAPGPFQLW-UHFFFAOYSA-N 348.189 3.801 50 1 EHGF NNC(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587027587 WAIADIZBZUKWLV-UHFFFAOYSA-N 334.404 3.562 50 1 EHGF CC(=O)CCC1(Cc2ccc(Cl)cc2)C2(C)OOC1(C)OO2 473091482 YRYOOYURPQOMGJ-UHFFFAOYSA-N 326.776 3.594 50 1 EHGF CCOC(=O)[C@H](Cl)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962666561 KPQAZKBNQFJPTM-ICSRJNTNSA-N 343.854 3.885 50 1 EHGF COc1cccc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)c1 13864062 GPTWBGSJEYYONT-FYJGNVAPSA-N 334.375 3.621 50 1 EHGF O=C1OC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12 14943753 BEDSOEWYLAPDOL-UHFFFAOYSA-N 328.327 3.643 50 1 EHGF biogenic C=C(C)[C@H](O)CCC(=C)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43100164 YQRNPGPBHWTAPC-BAQDPJJQSA-N 334.456 3.759 50 1 EHGF CC(C)OP(=O)(OC(C)C)[C@H]1C(C#N)=C(N)Oc2ccccc21 103249348 SYQXGBYMSZPUFA-OAHLLOKOSA-N 336.328 3.857 50 1 EHGF O=C(O)COCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587562755 FFYMWXKBKYRHBH-UHFFFAOYSA-N 332.250 3.822 50 1 EHGF CC1=CC2=C[C@H](C)C[C@@]23OC(=C(C)[C@]3(O)C#N)CC(C)(C)C=CC1=O 1857626502 WBSSOGUCWVQMFC-JDORSLCVSA-N 339.435 3.752 50 1 EHGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1ccccc1 58576191 BINAPABELMYXQL-IBGZPJMESA-N 338.370 3.910 50 1 EHGF CC(=O)Nc1cnc(SSc2ccccc2[N+](=O)[O-])s1 1857638292 QKGACAFLJPRKDT-UHFFFAOYSA-N 327.412 3.809 50 1 EHGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(=CCl)C(=O)C2 2356410158 CLTCUZKWEBWLIY-LNSITVRQSA-N 347.680 3.959 50 1 EHGF N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc2c(c1)OCO2 584801 GBUCEWAZTWQMTR-IBGZPJMESA-N 342.354 3.787 50 1 EHGF CC=C(C=O)[C@@H]1C[C@@H]2c3c(c4ccccc4n3[C@H](OC)C1)CCN2C 2356574241 SILDJCOKNNOTCC-CDHQVMDDSA-N 338.451 3.871 50 1 EHGF O=C1CS[C@H](c2c(F)cccc2F)N1C1[C@H](Cl)C[C@H]1Cl 299806646 GGRGNTJXLUAOPG-FRSIUCEKSA-N 338.206 3.526 50 1 EHGF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)O)[C@@]2(C)CCC(C=O)=CC(=O)O 2356678010 NHEQOXRJNUCTNP-LNKGRISISA-N 348.439 3.840 50 1 EHGF Cc1ccc([C@@]2(CSC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407703 CHUMMMIJNPNENM-IBGZPJMESA-N 338.432 3.961 50 1 EHGF Fc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 586973806 OWNRMUIKEFVGHM-UPHRSURJSA-N 333.986 3.873 50 1 EHGF O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)OC/C=C/c1ccccc1 28979919 XLVGREOQKWYIAI-SZXHPCHUSA-N 341.323 3.626 50 1 EHGF O=C(CCc1ccc(Br)cc1)OC1CSSC1 96911528 RWDPJLJUQKXDQN-UHFFFAOYSA-N 333.272 3.689 50 1 EHGF O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279320 GELQARPPKFRYLJ-MAUFJKMRSA-N 345.738 3.727 50 1 EHGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](OCc1ccccc1)[C@@H]2Br 102949057 NLGHJXPXSDXPOH-CRNXPOROSA-N 337.257 3.970 50 1 EHGF C[C@@H](Cl)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26577023 MXLRMPHJMDAKJJ-BDJLRTHQSA-N 344.798 3.671 50 1 EHGF O=C(CBr)Nc1cccc(NC(=O)Nc2ccccc2)c1 40974553 ZKMZPHIVUWGUQM-UHFFFAOYSA-N 348.200 3.664 50 1 EHGF Cc1cc(C)c(C/C(=N/NC(N)=O)c2cc3ccccc3o2)c(C)c1 40864241 OMYFNJUBLMRODT-XLNRJJMWSA-N 335.407 3.973 50 1 EHGF O=C(C(Cl)=C(N1CCCCC1)N1CCCCC1)C(Cl)Cl 1856743 CMEPCMQSRVQRFN-UHFFFAOYSA-N 339.694 3.739 50 1 EHGF O=C(OCc1ccccc1)c1cc2cc(CCl)ccc2oc1=O 13676402 JEUUMRJTJCQGEF-UHFFFAOYSA-N 328.751 3.889 50 1 EHGF CN1CCCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 53113039 IARMMXLRPWUQSV-WOJGMQOQSA-N 342.446 3.671 50 1 EHGF O=C(O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@H]1CC(F)(C3)C2 102030586 PMCCPALUHVHZEV-VSJWRBSMSA-N 340.391 3.571 50 1 EHGF ClC[C@H](Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587007507 DPZVEPRRUULSIM-BYPYZUCNSA-N 329.412 3.893 50 1 EHGF CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@H]1O[C@@H]1CC 2356586505 CFXNHQNIKKFEDQ-MCLUSKDASA-N 340.460 3.959 50 1 EHGF COc1cc2c3c(c1)O[C@H](c1cc(CCl)ccc1O)[C@@H](C2)C3=O 587420194 GQKVTRHCMXYNMQ-SCLBCKFNSA-N 330.767 3.628 50 1 EHGF COc1cc(-c2ccccc2)c(OC)n1-c1ccnc(CCl)n1 587939081 BHNSDHYSPXNHNS-UHFFFAOYSA-N 329.787 3.690 50 1 EHGF CCCc1c(O)ccc2c1O[C@H](c1cnn(CCCl)c1C)CC2=O 587460763 PAJWBITZLCLQLC-KRWDZBQOSA-N 348.830 3.795 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2C[C@@H]([C@@H](Br)CC)O1 2356690992 SYCAFZZXXDLZEM-UQGHGMQMSA-N 347.680 3.662 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12C=C[C@](C)(OO)CC2 2356844989 OAIRBCBTDRDWBP-NZBPQXDJSA-N 331.250 3.682 50 1 EHGF O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1ccccc1O 71341640 SKQZTEPXIVWXJF-UFFVCSGVSA-N 342.301 3.694 50 1 EHGF Cc1ccnc2c1CCN[C@@H]2c1ccc(CCBr)cc1 963071533 JNZAJTVAMXLRBI-MRXNPFEDSA-N 331.257 3.563 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(/C=C\C=O)c1F)O2 587385057 LLRGEEDDJJCMSG-RDBXKPKDSA-N 339.366 3.809 50 1 EHGF CC=C(C)C=CCCC[C@]1(OC)C[C@@H](C)[C@H](CC(=O)OC)OO1 2356698374 SXYZFCRIZKWROR-SOLBZPMBSA-N 326.433 3.942 50 1 EHGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@@H]1c1ccc2n[nH]c(C)c2c1 169703228 MCETWHATGTVTFX-DOTOQJQBSA-N 348.406 3.554 50 1 EHGF O=C(N/N=C/c1ccccc1O)c1ccc(-c2ccc(F)cc2F)o1 71340544 YDRKSAHNSXSOGH-UFFVCSGVSA-N 342.301 3.694 50 1 EHGF Clc1ccc([C@H]2OCCc3c2noc3CBr)cc1 103182988 IPMXHADMPVXWFK-CYBMUJFWSA-N 328.593 3.885 50 1 EHGF O=C(N/N=C\C(Br)=C/c1ccccc1)c1ccc(F)cc1 71418536 DDIIRZQBKNPUTJ-YPJQUURKSA-N 347.187 3.977 50 1 EHGF Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1/C2=C\C#N 40374865 XTONXKMKJURXTD-GIJQJNRQSA-N 342.446 3.589 50 1 EHGF CC1(C)CCC[C@@]2(C)[C@H](CCC3=CC(=O)O[C@@H]3O)C(C=O)=CC[C@H]12 238753408 NSPMBWKQIHHDLF-HBXLWWENSA-N 332.440 3.546 50 1 EHGF COc1ccc(Cl)cc1C#Cc1ccc(CCN=C=O)c(F)c1 587916940 ZDKMQVILNFLQBJ-UHFFFAOYSA-N 329.758 3.766 50 1 EHGF Cc1ccc(C(=O)NC[C@H]2c3ccccc3CCN2CCCl)cc1 1772656252 MYZICIOFVNMBGU-IBGZPJMESA-N 342.870 3.563 50 1 EHGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccco1 88449 QPSGXRQQSPKOMY-CYBMUJFWSA-N 338.754 3.541 50 1 EHGF CC1(C)O[C@]23C=C(C=O)CC[C@]24[C@@H]1CC[C@]4(C)Oc1ccc(O)cc13 2356728627 PXYOBXAVEVGYNT-PMXSJFBMSA-N 340.419 3.863 50 1 EHGF COc1ccc(Cl)cc1C#Cc1ccc(/C=C(\C#N)C(=O)O)cc1 587906189 UGMHCMNDNJAZQB-MHWRWJLKSA-N 337.762 3.740 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CCC(=CCl)C(=O)C2 2356410160 CLTCUZKWEBWLIY-WHOFXGATSA-N 347.680 3.959 50 1 EHGF Cc1nn(-c2ccncc2)c2c1C(=O)CC(C)(C)[C@@H]2Br 61942808 AGSHQMKYSVDCKW-CQSZACIVSA-N 334.217 3.624 50 3 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CCl)c1)O2 587372963 CDGVAKDMRALHDZ-SFHVURJKSA-N 331.799 3.902 50 1 EHGF CCCc1c(O)ccc2c1O[C@@H](c1cn(CCCl)nc1C)CC2=O 587462269 WZYPHKVXZMNYDA-QGZVFWFLSA-N 348.830 3.795 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccc(C)cc21 587386814 LFAAAAAZYVQELT-FQEVSTJZSA-N 332.359 3.546 50 1 EHGF C/C(C=O)=C\CC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3 96933294 GDLZVHXDIRSIJQ-HCDUGCIISA-N 344.451 3.651 50 1 EHGF O=C(CCl)n1cc(-c2ocnc2Br)c2ccccc21 103292276 HPTSHZCFBCQPPT-UHFFFAOYSA-N 339.576 3.938 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCl)cc1)O2 587374679 IUIMECAJCXLJSX-QGZVFWFLSA-N 331.799 3.901 50 1 EHGF N#C/C(=C/c1ccccc1)c1nc2cncc(Br)c2[nH]1 587188408 RMRQWEWQRDCLSO-WDZFZDKYSA-N 325.169 3.785 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(C)(C)C)O2 587370359 ALRUCSLBLDHORV-OAHLLOKOSA-N 326.234 3.722 50 1 EHGF Cc1nn(-c2ccncc2)c2c1C(=O)CC(C)(C)[C@H]2Br 61942806 AGSHQMKYSVDCKW-AWEZNQCLSA-N 334.217 3.624 50 3 EHGF CC#CC#Cc1ccc(C#C[C@@H](Cl)COC(=O)[C@H](C)CC)s1 2356518087 FENHLPQAMQSGQO-HUUCEWRRSA-N 332.852 3.671 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](C=C[C@@H](Cl)CC)O1 2356648279 VFEVOEOMQSLWCB-KSWRQPAISA-N 345.266 3.836 50 1 EHGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccco1 88447 QPSGXRQQSPKOMY-ZDUSSCGKSA-N 338.754 3.541 50 1 EHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(CCl)CCl 587542101 FQILKYGRVXWLTG-CYBMUJFWSA-N 339.174 3.570 50 1 EHGF Cc1c(Cl)cccc1NC(=O)N/N=C/c1ccc(N(C)C)cc1 28357589 BUKBCXRYNBLTKZ-YBFXNURJSA-N 330.819 3.870 50 1 EHGF O=C1C[C@@H](c2cnn(CCCl)c2)Oc2c1ccc1c2CCCC1 587497268 IIGAUAMNWLDWEL-KRWDZBQOSA-N 330.815 3.707 50 1 EHGF CC(C)=C(C)CC[C@@]1(CO)Nc2ccc(C(=O)O)cc2C[C@@H]1Cl 2356816982 DGGLCZSELPWDEN-WMZOPIPTSA-N 337.847 3.828 50 1 EHGF CCC=CC=CCCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 2356691565 ONNZFGNRKNJAJJ-SOLBZPMBSA-N 326.433 3.942 50 1 EHGF Cn1c(CNNC(=O)Cc2cccc3ccccc23)cc2ccccc21 1857600495 DFUZTRRKGFUXIH-UHFFFAOYSA-N 343.430 3.695 50 1 EHGF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1OCCCl 33828961 CAEFVIAJODGZGC-QGZVFWFLSA-N 349.217 3.711 50 1 EHGF COCC(=O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587562878 ILAADJJVXRMYRI-UHFFFAOYSA-N 330.278 3.978 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12CC[C@]1(C)O[C@@]1(Cl)C2 2356758907 QHRFNRBIVPGTIX-SIGLWIIPSA-N 349.696 3.991 50 1 EHGF CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN[C@@H]1c1ccc2c(c1)OCO2 210995585 XGEYXEBDAYWOGZ-SJORKVTESA-N 347.487 3.533 50 1 EHGF 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C#C/C=C\[C@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 238757772 AYFFHUILZXJDLN-IMGNLZAJSA-N 343.648 3.602 50 1 EHGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCCC(=O)OC)CC1 95808675 SZYWOTGKXHWECF-HDAKKWKLSA-N 334.460 3.905 50 1 EHGF O=C(O)CCc1ccc(-c2cccs2)n1-c1ccnc(CCl)n1 587939537 CJOYFYYHVCAESR-UHFFFAOYSA-N 347.827 3.752 50 1 EHGF CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@H]1O[C@H]1CC 2356586503 CFXNHQNIKKFEDQ-AJFIWVJRSA-N 340.460 3.959 50 1 EHGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@@H]2O[C@@H]2[C@H](CBr)[C@H](CC)O1 137599204 WWXDSNUMWFIGFH-XIKJYIDDSA-N 347.680 3.519 50 1 EHGF CN(C)CCSSCCn1cc(-c2ccccc2Cl)nn1 618012495 KLINADDSJQMBAM-UHFFFAOYSA-N 342.921 3.542 50 1 EHGF CCOCCN(Cc1ccc(Cl)cc1)C(=O)/C=C/[C@@H](C)Cl 103272737 UQDVODVSCPAHEK-QGQQYVBWSA-N 330.255 3.889 50 1 EHGF COC(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587101601 IMSJYUSFZZUYLL-KRWDZBQOSA-N 337.762 3.899 50 1 EHGF CCO[C@@H]1C[C@]2(c3cccc(Br)c3CCN2C)[C@@H]1Cl 963288511 CNKPYVIPOYQYJO-KFWWJZLASA-N 344.680 3.549 50 1 EHGF COc1ccc2c(c1OC)[C@](CCl)(C(F)(F)F)N(C)[C@@H](C)C2 962630495 RZWUCHIOCAEIIS-LKFCYVNXSA-N 337.769 3.577 50 1 EHGF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1OCCCl 33828963 CAEFVIAJODGZGC-KRWDZBQOSA-N 349.217 3.711 50 1 EHGF CCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253683610 CBDFWIKOPAPNRI-DVLKJIGXSA-N 338.444 3.955 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CCl)(C1CCOCC1)CC2=O 587460810 PKKRXBKOOGAZTR-SFHVURJKSA-N 338.831 3.714 50 1 EHGF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1Br)CC2=O 587461746 YMPQCNIGGKTGPY-GOEBONIOSA-N 339.229 3.996 50 1 EHGF CC1(C)C[C@H]([C@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br 169292936 VSBKCGGDJNPCGU-OCVGTWLNSA-N 345.277 3.748 50 1 EHGF C#CC=CC[C@@H]1OC(=C(Br)CC)[C@H](O)C=CC[C@H]1Cl 2356570147 XYUJUEHWMGNBRZ-MCIONIFRSA-N 345.664 3.896 50 1 EHGF C#C/C=C\[C@@H](Cl)[C@@H]1[C@@H]2C[C@@H]3O/C(=C(\Br)CC)[C@H]1[C@@H]3O2 238739024 AYFFHUILZXJDLN-OLSVYXECSA-N 343.648 3.602 50 1 EHGF CC1=C[C@@H]2OC(=O)C(C)=C2CCC(C=O)=CCC[C@]2(C)O[C@H]2CC1 299806900 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EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)COC3)O2 587370782 BSOLIGDQGQNCLO-IBGZPJMESA-N 343.810 3.707 50 1 EHGF CCc1ccc(C(=O)NN(C(=O)[C@@H]2CC=CCC2)C(C)(C)C)cc1 39158334 FSBGPDWQIFCUGJ-QGZVFWFLSA-N 328.456 3.877 50 1 EHGF ClC[C@H](Cl)c1nc2ccc(I)cc2[nH]1 587009275 ZDCCLGLWGSEDOZ-LURJTMIESA-N 340.979 3.686 50 1 EHGF O=C(NC1CCCC1)c1ccc(N(CCCl)CCCl)cc1 49746054 YNGWGAYBPCOHHO-UHFFFAOYSA-N 329.271 3.643 50 1 EHGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 40411859 RGISSVUJJMJRCR-IZZDOVSWSA-N 348.280 3.662 50 1 EHGF CCCCC[C@H](/C=C/[C@@H](O)[C@H](O)CCCCCCCC(=O)O)OO 102183605 OMGHMRGMXCUWQA-AUXPREMHSA-N 346.464 3.518 50 1 EHGF COc1ccc(-n2cnc3cc(C(=O)CBr)ccc32)cc1 72107257 QKYMNYVMRXCALJ-UHFFFAOYSA-N 345.196 3.612 50 1 EHGF O=C(CCCCCCB(O)O)Nc1cccc(-c2ccccc2)c1 195130622 DYYRZKJOTSQYGS-UHFFFAOYSA-N 325.217 3.715 50 1 EHGF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)CCl)c[nH]1)CC2=O 587460622 NZQOGTOUPPDPAE-QGZVFWFLSA-N 347.798 3.801 50 1 EHGF COc1c(Cl)c(O)c2c(c1C(C)=O)OC(C)(C)[C@H](OC)[C@H]2Cl 1857638061 DYFJTHKGNCSRJG-LKFCYVNXSA-N 349.210 3.723 50 1 EHGF CCC=CC=CCCC[C@]1(OC)CC[C@H]([C@H](C)C(=O)OC)OO1 2356691564 ONNZFGNRKNJAJJ-LZLYRXPVSA-N 326.433 3.942 50 1 EHGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1CC)[C@]42OO3 195317402 PFGRODFYLAFVPX-QOBNMGNYSA-N 326.433 3.621 50 1 EHGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O 587420762 IQFASZVLVAIYLL-HFLKWWMRSA-N 332.827 3.856 50 1 EHGF CC(=O)N[C@@H](CSC/C=C(\C)CCC=C(C)C)C(=O)CCl 27632456 OAOZWSCFCAQLIR-NRUITVPNSA-N 331.909 3.725 50 1 EHGF C[C@H](Cl)CCC(=O)c1c(CO)oc2cc(Br)cnc12 587276005 IPKMSZSHVZHIQP-ZETCQYMHSA-N 346.608 3.673 50 1 EHGF CC1=CCOO[C@@H]1C[C@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CC(=O)C[C@H]12 2356476949 MVOYPAYCWDDLED-VWJUVAHCSA-N 334.456 3.602 50 1 EHGF CN(C)CCSSCCn1cc(-c2ccc(Cl)cc2)nn1 618012461 GYDSXUSVDYXTBL-UHFFFAOYSA-N 342.921 3.542 50 1 EHGF N#C/C(=C/c1ccccc1)c1nc2c(Br)ccnc2[nH]1 587188799 WULLEXMCFGZSLB-FLIBITNWSA-N 325.169 3.785 50 1 EHGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(O)cc3)c(CCCl)c2c1 587648911 JGKCGBLJMQQGJC-UHFFFAOYSA-N 349.839 3.725 50 1 EHGF COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586970816 HHEWGNUSGLXADN-NSHDSACASA-N 342.193 3.641 50 1 EHGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@H]1c1ccc2n[nH]c(C)c2c1 169703231 MCETWHATGTVTFX-WBVHZDCISA-N 348.406 3.554 50 1 EHGF COCCN(C(=O)CCl)C(=C(C)C)c1ccc(SC)cc1 103191746 ZDUXLQDUEDMHSA-UHFFFAOYSA-N 327.877 3.873 50 1 EHGF COc1ccccc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 1857569479 IJWWCDLTYUXQTO-VXLYETTFSA-N 328.755 3.859 50 1 EHGF c1cn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cn1 14177078 WPDICYZJGRRWBQ-UHFFFAOYSA-N 344.455 3.900 50 1 EHGF Nc1c(C(=O)N/N=C/c2cccc3ccccc23)sc2ncccc12 71318106 ZPRGXCVIVGKQTM-SSDVNMTOSA-N 346.415 3.796 50 1 EHGF CCC=CC=CCCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)OC)OO1 2356691563 ONNZFGNRKNJAJJ-JFIYKMOQSA-N 326.433 3.942 50 1 EHGF CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CCC(C=O)=CCC[C@]1(C)O[C@@H]1C2 2356332521 HFYSQTZIFVBRTC-UEDWAMCQSA-N 336.472 3.558 50 1 EHGF CC(C)(CCl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546389 WJGIOSSKHJONPN-WMLDXEAASA-N 332.783 3.987 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(F)F)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169340425 MCALLTKYCRBDHT-GVWOVJBGSA-N 332.387 3.892 50 1 EHGF C#C/C=C/C[C@H]1O[C@@H]2C[C@@H](Cl)C[C@H](Br)[C@@H](CC)O[C@H]12 238777014 VKMXZNJYZLEIIP-QWPMPZSWSA-N 347.680 3.662 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1CCBr)O2 587371399 DIOAXIHSDSREOI-BZNIZROVSA-N 338.245 3.866 50 1 EHGF ClC[C@H](Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587009229 YIZXCRISZLKHKD-BYPYZUCNSA-N 329.412 3.893 50 1 EHGF CCCCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 195241559 CBDFWIKOPAPNRI-MCXDBZEASA-N 338.444 3.955 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3cccn3C)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103192681 GKPMNMIGONGFPL-MFFQEWLYSA-N 347.455 3.948 50 1 EHGF C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@@]1(C)CCC(=CC(=O)O)CO 2356580814 AVRIRMRRWLLLDT-PEFDPPPMSA-N 334.456 3.748 50 1 EHGF C[C@H]1CN(C)CCN1C1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40375241 BDFIHCDQILZLDZ-GYKGCMEESA-N 342.446 3.669 50 1 EHGF Cc1cccc([C@]2(CCCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962892564 GGXGREVFTVVYOV-LPHOPBHVSA-N 347.817 3.606 50 1 EHGF C[C@H]1Cc2cc(Br)c(F)cc2C(CCl)(CCl)N1 587688702 NFMQWZRJMWFAFQ-ZETCQYMHSA-N 341.051 3.795 50 1 EHGF CC1(C)CN(C(=O)CCl)c2cc(Br)ccc2S1 27195292 RSZGQCGTFUHDRT-UHFFFAOYSA-N 334.666 3.905 50 1 EHGF C[C@H](c1ccc(CBr)cc1)c1nc2c(N)ccnc2[nH]1 586973142 FYHQHYYKNBDWAV-SECBINFHSA-N 331.217 3.587 50 1 EHGF COC(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1OC 587187539 ILEMNVRPSIXDNW-GXDHUFHOSA-N 347.374 3.731 50 1 EHGF CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC(C=O)=CC(=O)O 2356546273 GCNXFAAYPBCBND-SOUCHZLYSA-N 332.440 3.954 50 1 EHGF Oc1cc(CCl)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 66112575 BLXIDNNXJWXZHE-UHFFFAOYSA-N 327.693 3.860 50 1 EHGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)OO)COC(=O)[C@@H]12 141575207 LYNQLUCBGBCZBC-YXWCGTORSA-N 348.439 3.814 50 1 EHGF O=C(Nc1cccnc1Cl)c1cc2cc(CCl)ccc2oc1=O 27331626 GMTYDODRBMQJPU-UHFFFAOYSA-N 349.173 3.833 50 1 EHGF Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccn3C)sc2c1 33314070 WUIYBYNMOJFGNB-NVMNQCDNSA-N 331.828 3.966 50 1 EHGF COc1c2c(cc3c1[nH]c1ccccc13)[C@H](O)O[C@@H](C(C)(C)OO)C2 139239906 HRTBXFLBERHBPF-CRAIPNDOSA-N 343.379 3.530 50 1 EHGF C=C[C@]1(C)CC[C@@H]2[C@](O)(CC[C@H]3C(C=O)=C(C(=O)OC)CC[C@@]23C)C1 13300887 STSSIXLXPNXXKZ-VXCLMFOKSA-N 346.467 3.589 50 1 EHGF biogenic Cc1cccc(C)c1-c1cn(CCSSCCN(C)C)nn1 618010377 WBMJABXVGWJICO-UHFFFAOYSA-N 336.530 3.505 50 1 EHGF CC/C(=N\NC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13474248 RWGCHLNCPOOTPA-AWQFTUOYSA-N 327.228 3.507 50 1 EHGF N#Cc1ccc2c(C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3C(=O)Cl)coc2c1 587279266 QGILNYDXBHGPKB-IRHXVLAXSA-N 325.751 3.691 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCO3)O2 587370999 CHRKPVVVBTTWEK-LJQANCHMSA-N 343.810 3.612 50 1 EHGF O=C(NNc1ccccc1Cl)C12C3[C@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12 1772625196 BKHVOWLISRICAJ-AVOAJDHISA-N 328.843 3.711 50 1 EHGF CC1(C)O[C@]23C=C(C=O)CC[C@]24[C@H]1CC[C@@]4(C)Oc1ccc(O)cc13 2356728626 PXYOBXAVEVGYNT-KCLUMXDGSA-N 340.419 3.863 50 1 EHGF C=C[C@](O)(CBr)CC[C@@H](Br)C(C)(C)Cl 1638705 SEFMGOQEBNDFOL-PSASIEDQSA-N 348.506 3.860 50 1 EHGF CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NC2CCCCC2)cc1 84633456 KTWPLZVKTLVPEV-OAHLLOKOSA-N 345.487 3.652 50 1 EHGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587419290 XPWHYFVNAAWMSS-VZMUKZCBSA-N 328.795 3.965 50 1 EHGF C/C(=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(N)cc1 103175724 DVTMZDKMEBBYPE-KQWNVCNZSA-N 346.434 3.830 50 1 EHGF O=[N+]([O-])c1cccc2ccc(C(Br)Br)nc12 84708590 OBXSSENWEVSZDW-UHFFFAOYSA-N 345.978 3.931 50 1 EHGF CC(C)[C@@]12C=C3C(=O)C[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]3(CC1)OO2 2356536794 CFJWRSMUQIAHTA-LGKHCZOZSA-N 348.439 3.672 50 1 EHGF CC[C@H](C[C@H](C)C[C@@]1(CC)C[C@@H](CC)[C@@H](CC(=O)O)OO1)C(=O)O 49783794 CQXMTSDUBPWSJN-AIANZEFSSA-N 344.448 3.884 50 1 EHGF CCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43328125 CBDFWIKOPAPNRI-IMTJIVIZSA-N 338.444 3.955 50 1 EHGF COc1cc(OC)c2[nH]c([C@@H](Br)C(C)(C)F)nc2c1 587086921 JCBRZRQRXAZFCW-LLVKDONJSA-N 331.185 3.764 50 1 EHGF CN(C)CCSSCCC(=O)Nc1ccc(Cl)cc1F 618007535 BBKCSBDPHXBVIS-UHFFFAOYSA-N 336.885 3.751 50 1 EHGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@@]12CCC(=CCl)C(=O)C2 2356410159 CLTCUZKWEBWLIY-NJZAAPMLSA-N 347.680 3.959 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccccc1F)O2 587386919 XSSNYUMAIUHYKQ-GOSISDBHSA-N 342.395 3.791 50 1 EHGF CCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372181 CBDFWIKOPAPNRI-AKRICMDLSA-N 338.444 3.955 50 1 EHGF CCOC(=O)Cc1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188030 NPSGVQZKGCLWGW-MHWRWJLKSA-N 331.375 3.733 50 1 EHGF CCCn1c(C)cc([C@]2(CCl)NCCc3c(C)ccnc32)c1C 963071366 RFTNAXHCNFSDHM-IBGZPJMESA-N 331.891 3.846 50 1 EHGF C[C@@H](Cl)CCC(=O)c1c(CO)oc2cc(Br)cnc12 587276004 IPKMSZSHVZHIQP-SSDOTTSWSA-N 346.608 3.673 50 1 EHGF CCS[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 103104679 LSTVIQWGCBMICO-VBGZEHGNSA-N 328.474 3.948 50 1 EHGF C[C@@H](Cl)OC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N 1772570304 AXYBICDPSFEJLS-VIFPVBQESA-N 338.770 3.548 50 1 EHGF COC1=C/C(=C/C(C#N)=C2/NC3=C(C[C@@H](C)CC3)S2)C=CC1=O 13110681 GWRKYCZLCVDFRU-NXIKRQOJSA-N 326.421 3.685 50 3 EHGF CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccccc1Cl)C(C#N)=C2N 4094874 OUQLAIQNZFNNMC-QGZVFWFLSA-N 328.799 3.791 50 1 EHGF Cc1ccc(/C=C(/C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587188174 PJJXKUMWQWSXKA-WDZFZDKYSA-N 329.285 3.696 50 1 EHGF Cc1ccc(/C=C(\C#N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587188173 PJJXKUMWQWSXKA-IZZDOVSWSA-N 329.285 3.696 50 1 EHGF NNC(=O)c1cc(C2CCC(C(F)(F)F)CC2)c2ccccc2n1 299870739 WWYZOFHQBILHHZ-UHFFFAOYSA-N 337.345 3.674 50 1 EHGF CC1(C)[C@H]2CC(=O)[C@]1(C)[C@@H](OCc1ccccc1)[C@@H]2Br 1636248 NLGHJXPXSDXPOH-PWXKEOIMSA-N 337.257 3.970 50 1 EHGF CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1 95595693 JFDYRYFOZRGFBC-UHFFFAOYSA-N 326.336 3.820 50 1 EHGF CN(C)C(=O)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587197141 KDOPKOYOQFBKEH-UHFFFAOYSA-N 329.294 3.851 50 1 EHGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195242088 MCALLTKYCRBDHT-SHVZSJIOSA-N 332.387 3.892 50 1 EHGF O=C(CCl)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587645137 XAYFMVJYLAPNAX-UHFFFAOYSA-N 329.743 3.920 50 1 EHGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cnc2ccccc2c1 13586215 RBOAFXIUZYLSHU-HXUWFJFHSA-N 342.402 3.519 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC[C@H]1Cl 587380095 AGTROOJVPWTOPF-MJGOQNOKSA-N 327.811 3.992 50 1 EHGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2C)ccc1O 2356585129 DRSJAOIIWZUIAB-HXPMCKFVSA-N 340.375 3.859 50 1 EHGF CCC(C=CC(C)=O)=C[C@]1(CC)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356788998 CTKYMISRICLVAY-ZHALLVOQSA-N 338.444 3.927 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccccc1F)O2 587385919 QZOVUUMUSYAPFQ-SFHVURJKSA-N 333.790 3.902 50 1 EHGF COC(C)(C)[C@H](Br)c1nc2cnc3ccccc3c2[nH]1 586971847 ZUYWNDILMBCEQU-CYBMUJFWSA-N 334.217 3.972 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cccn1C)CC2=O 587458614 CNRWRJXJMZPRPL-GOSISDBHSA-N 333.815 3.783 50 1 EHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C)s1)[C@@H](C2)C3=O 587451307 MWLHVRIDVTXWCF-YVEFUNNKSA-N 334.824 3.947 50 1 EHGF Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccco3)c2c1 1008028 HGUXNVMJWVMTQC-VXLYETTFSA-N 339.420 3.687 50 3 EHGF CCCCCCCSC(=S)N(C)NC(=O)c1ccccn1 169336967 KXHAKWGAXMCQCD-UHFFFAOYSA-N 325.503 3.647 50 1 EHGF CC[C@@]1(CCCl)SC(N2c3ccccc3OC[C@@H]2C)=NC1=O 103184068 LCCXIQFBHLLBCZ-ZBEGNZNMSA-N 338.860 3.681 50 1 EHGF CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 587086497 BANORIWGGGMHEC-NSHDSACASA-N 329.169 3.518 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(/C=C/C=O)c1F)O2 587385055 LLRGEEDDJJCMSG-PEAOBZDDSA-N 339.366 3.809 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)no1)CC2=O 587461220 REXAECYJQDJPIZ-QGZVFWFLSA-N 335.787 3.741 50 1 EHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)CCCBr 963636729 RURXUXLQVPVNGD-ZBEGNZNMSA-N 342.277 3.628 50 1 EHGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C=C[C@@H](C=O)[C@@H](O)OO1 2356777218 PMTMAICXMDKYOW-DOZWFGMRSA-N 334.456 3.805 50 1 EHGF COc1ccc2c(OC)c3c(nc2c1OC)OC(C)(C)[C@H](Cl)C3 2356729507 NQUWKDORUOOTHV-GFCCVEGCSA-N 337.803 3.582 50 1 EHGF C=C1CC=C[C@@]2(C)CC[C@@H](C(C=O)=CC=CC(C)(C)O)[C@H]1C(=O)C2 2356806064 ZZXLHONBGLPLCN-CUWPLCDZSA-N 328.452 3.947 50 1 EHGF Cc1ccc2c(c1)/C(=C/C#N)c1ccccc1C(N1CCN(C)CC1)=N2 40656014 SRNMTJXEDRHVCV-GIJQJNRQSA-N 342.446 3.589 50 1 EHGF COc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=S)cc1 994954 OTCHKWIOBAZAOG-YBFXNURJSA-N 337.404 3.670 50 1 EHGF C=C1CCC=C(C)C[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2O[C@]2(C)CC[C@@H]1OO 2356396990 CSKUUHDAPAWYTK-ZYNAIFEFSA-N 348.439 3.957 50 1 EHGF C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238061 YAZKQFSQFBSYBQ-CJLVFECKSA-N 347.418 3.954 50 1 EHGF Fc1c(F)c(F)c2[nH]c(CCCCBr)nc2c1F 586972592 XJPJKUZNBOWNLA-UHFFFAOYSA-N 325.103 3.837 50 1 EHGF c1cnn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1 43569602 OZWPJYZBINWFGG-UHFFFAOYSA-N 344.455 3.900 50 1 EHGF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCl)cc1)[C@@H](C2)C3=O 587423870 WQDCTHGHNVRISF-KXBFYZLASA-N 344.794 3.802 50 1 EHGF COc1cc2c3c(c1)OC1(CCC(Br)CC1)[C@@H](C2)C3=O 587418722 VAFSSBOXNJLWQF-YWFMTQBDSA-N 337.213 3.519 50 1 EHGF O=C(CCl)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587637524 BPAVFQKHCZYWDM-UHFFFAOYSA-N 328.755 3.710 50 1 EHGF C[C@]12Nc3ccccc3C1=C(c1ccccc1)C[C@@H]1C(=O)OC(=O)[C@H]12 105491773 VLCGADBNBBMNEO-XERREHJYSA-N 331.371 3.501 50 1 EHGF Cc1ccc2nc(SCC(=O)N/N=C\c3ccco3)cc(C)c2c1 13111743 CPYTXWFFFQKUDP-GRSHGNNSSA-N 339.420 3.687 50 1 EHGF O=C(C1=CN(Cc2ccccc2)C=CC1)N(CCCl)CCCl 103164124 LVVYFOPQOCVXAJ-UHFFFAOYSA-N 339.266 3.596 50 1 EHGF CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3)[C@H]1[C@H]2COC(=O)CCl 504795498 WDVFWRCDJREHFA-GOKQANEMSA-N 334.843 3.985 50 1 EHGF biogenic CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3F)c(SC#N)c2c1 587650176 OYFSJWQFFAPMAX-UHFFFAOYSA-N 346.408 3.951 50 1 EHGF BrCCCc1nc(-c2ccc(Br)cc2)no1 1772604823 GHZGRBKDNTXEEQ-UHFFFAOYSA-N 346.022 3.827 50 1 EHGF C/C(=N\NC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])cc1 28524818 HMAAUNYQJFAHHN-CPNJWEJPSA-N 326.356 3.757 50 1 EHGF COC(=O)c1cccc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587087017 LAQGFZAIMLOQPX-SNVBAGLBSA-N 329.169 3.534 50 1 EHGF CC(C)(C)c1ccc(/C=C/NC(=O)N/N=C/c2ccc(O)cc2)cc1 1857760108 RPRZNSRITLNEAJ-ALNMFTKOSA-N 337.423 3.994 50 1 EHGF C/C(=N/NC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 263591746 CXZXCGNXJUJTER-NQGIDNLSSA-N 335.245 3.991 50 3 EHGF CCO/C(O)=C(\C#N)c1ncc(Br)c(-c2ccccc2)n1 103521632 ZJNAXTHPWFACKW-RVDMUPIBSA-N 346.184 3.693 50 1 EHGF Cc1c(Br)cnc2[nH]c(CCCCBr)nc12 586972286 LHXQPYRTXHOZHY-UHFFFAOYSA-N 347.054 3.746 50 1 EHGF CCOC(=O)c1c([C@H](C)Br)[nH]c2cc([N+](=O)[O-])ccc12 587644234 RAPFFTMMMUMEKQ-ZETCQYMHSA-N 341.161 3.709 50 1 EHGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc2c(c1)OCC2 169321263 OCAYOGDDVLHBDH-HXUWFJFHSA-N 340.382 3.993 50 1 EHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)CCCBr 963636725 RURXUXLQVPVNGD-BDJLRTHQSA-N 342.277 3.628 50 1 EHGF C[C@H]1CC[C@@]2(C)[C@@H](CC(C=O)=C[C@H]2C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O 2356512620 ZTAJMOUEANOMLQ-FCSYCVHHSA-N 346.467 3.792 50 1 EHGF Cc1ccc2c(c1)-c1nc(N)nc([C@H]3CC[C@H](Br)O3)c1C2 28128541 CNDPNXGEKIICHK-CHWSQXEVSA-N 346.228 3.511 50 1 EHGF CC[C@H](C=CC(C)=O)C[C@]1(C)C[C@H](CC)[C@H](CC(=O)OC)OO1 2356554399 WEYWQMIIZQNRQV-MUQADHOPSA-N 326.433 3.616 50 1 EHGF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1OO 2356664347 RBMLFMIIGOFFQM-SQNIBIBYSA-N 348.439 3.574 50 1 EHGF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]2C(=C)C[C@@H](OO)C1 2356495417 REWCSPDCOFIPKP-KSZLIROESA-N 348.439 3.574 50 1 EHGF COC(C)(C)[C@@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 586971222 PAGOICQZCFIUFP-NSHDSACASA-N 342.624 3.949 50 1 EHGF O=C(CCCC[C@@H]1CCSS1)OCCc1ccc(O)c(O)c1 66101133 YDJJMSLUAXFNEA-CYBMUJFWSA-N 342.482 3.898 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 102164803 CWKYOGKBSDJJRH-MCXDBZEASA-N 338.444 3.811 50 1 EHGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)ccc21 586907462 LXPMVGIJPQKHQW-UHFFFAOYSA-N 333.130 3.847 50 1 EHGF O=C(/C=C/c1ccccc1)N/N=C/c1ccc(Br)cc1 84655220 BWALLEDRBUWVJA-BUJDNCMTSA-N 329.197 3.613 50 1 EHGF CCO[C@@H]1C[C@]2(c3cccc(Br)c3CCN2C)[C@H]1Cl 963288510 CNKPYVIPOYQYJO-ILXRZTDVSA-N 344.680 3.549 50 1 EHGF Cl[C@H]1CCCCC[C@@H](Cl)[C@]12NCCc1nc3ccccn3c12 962983299 BNRNFPQCPORMRE-HALDLXJZSA-N 338.282 3.854 50 1 EHGF CC(C)(CCl)C(=O)c1c(CO)oc2cc(Br)cnc12 587277087 ZEXIBCPXINOVTD-UHFFFAOYSA-N 346.608 3.530 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(C)(C)C)O2 587370358 ALRUCSLBLDHORV-HNNXBMFYSA-N 326.234 3.722 50 1 EHGF COc1cc2c3c(c1)O[C@H](c1ccc(OCCCl)cc1)[C@@H](C2)C3=O 587423865 WQDCTHGHNVRISF-HNAYVOBHSA-N 344.794 3.802 50 1 EHGF CCc1c(C)[nH]c(=O)c(N(C)CC)c1Cc1cccc(/C=C/C#N)c1 34081156 UOZDWSRONYZLQO-DHZHZOJOSA-N 335.451 3.829 50 1 EHGF Cc1ccc(Cl)c(NC(=O)NCCSSCCN(C)C)c1 618008001 PXIJKNICVMFZMX-UHFFFAOYSA-N 347.937 3.713 50 1 EHGF CCCCC[C@@H](/C=C/[C@H](O)[C@@H](O)CCCCCCCC(=O)O)OO 231930833 OMGHMRGMXCUWQA-MVFSOIOZSA-N 346.464 3.518 50 1 EHGF CC(C)CC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169319700 CWKYOGKBSDJJRH-QOJRLFKQSA-N 338.444 3.811 50 1 EHGF COc1ccc(/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1OC 101873218 ZMLHNRUGPKTJLE-AQTBWJFISA-N 335.363 3.540 50 1 EHGF Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/C(=O)CCl)s1 103272359 GYFJIXXAMCRLGX-PDGQHHTCSA-N 334.750 3.532 50 1 EHGF O=C(NCCCCCCCCCCBr)n1ccnc1 26183640 MRCXKAGVLQQONL-UHFFFAOYSA-N 330.270 3.957 50 1 EHGF CC[C@H](C=CC(C)=O)C[C@]1(C)C[C@@H](CC)[C@@H](CC(=O)OC)OO1 2356554404 WEYWQMIIZQNRQV-YFHUEUNASA-N 326.433 3.616 50 1 EHGF C#CC=CC[C@@H]1OC(=C(Br)CC)[C@@H](O)C=CC[C@@H]1Cl 2356570146 XYUJUEHWMGNBRZ-IHRRRGAJSA-N 345.664 3.896 50 1 EHGF C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1cc2ccccc2[nH]1 95561965 MPTVDAIPWQIULL-KEBDBYFISA-N 327.771 3.681 50 1 EHGF Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccnc(CCl)n1 587940120 MINZWLGAVXUXRA-UHFFFAOYSA-N 336.178 3.738 50 1 EHGF Nc1ccc(-c2ccc3nc(/C=C/CBr)[nH]c3c2)cc1N 586973401 JTLAPLBEXFLZNG-OWOJBTEDSA-N 343.228 3.802 50 1 EHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2Cl 587543427 CDPALHOJKPPRHN-RVKKMQEKSA-N 330.767 3.884 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](C=C[C@@H](Cl)CC)O1 2356648280 VFEVOEOMQSLWCB-WOYTXXSLSA-N 345.266 3.836 50 1 EHGF COC(C)(C)[C@@H](Br)c1nc2ccc3ncccc3c2[nH]1 586971779 YQPNGEFEAGTUHP-ZDUSSCGKSA-N 334.217 3.972 50 1 EHGF Nc1cc(-c2ccccc2)sc1C(=O)NN=Cc1ccc(F)cc1 957654791 WJDJIEWPOGFERZ-UHFFFAOYSA-N 339.395 3.900 50 1 EHGF N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc2ccccc2nc1Cl 40548065 XGDYCSCBQPGDKF-QGZVFWFLSA-N 349.777 3.812 50 1 EHGF Cl[C@H]1CCCCC[C@H](Cl)C12NCCc1nc3ccccn3c12 962983300 BNRNFPQCPORMRE-KBPBESRZSA-N 338.282 3.854 50 1 EHGF O=C(NNc1c(Cl)cncc1Cl)[C@@H]1CCc2ccccc2C1 84668839 QXSYWWAPJZSTGM-GFCCVEGCSA-N 336.222 3.637 50 1 EHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@@H]2O[C@H]2C[C@@H]1Cl 2356794389 LEDMBGDKPSHKHA-XZBVAUNFSA-N 347.680 3.662 50 1 EHGF Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587188914 YJFWTHVGDIZDMH-OVCLIPMQSA-N 328.375 3.820 50 1 EHGF COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccccc1F)[C@@H](C2)C3=O 587428240 YGAFOLOVQKRDQA-IFXJQAMLSA-N 346.785 3.802 50 1 EHGF O=C(NNc1nc2ccccc2n2cccc12)c1ccc2cc[nH]c2c1 28639897 RLOSBZXCGLUGPN-UHFFFAOYSA-N 341.374 3.726 50 1 EHGF COCc1ccc([C@@]23CC[C@H]4CCCC[C@]4(OO2)[C@@H](OC)O3)cc1 38153516 LYDVQBGYZQEHDA-QXCFHYIPSA-N 334.412 3.660 50 1 EHGF CCCC(=O)CC/C=C/C=C/C#CC#C/C=C/COC(=O)CCl 473105900 SZUXRNNJSTZEEL-JHTNEVNSSA-N 332.827 3.593 50 1 EHGF C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1 13111457 UBQWKZBWKZJBQL-XQNSMLJCSA-N 329.403 3.754 50 3 EHGF C1C[C@H]2C[C@H]3SS[C@@H]4[C@@H](CN5CCC[C@H]45)SS[C@@H]3N2C1 2356781898 JSMGJTNAIKSKKD-XOKHJRTDSA-N 346.612 3.541 50 1 EHGF C1=C[C@H](COCc2ccccc2)OO[C@@H]1COCc1ccccc1 43562037 SZIJGPDASXMPFT-BGYRXZFFSA-N 326.392 3.675 50 1 EHGF CCOc1nccc2c1[C@@H](c1ccc(C#N)cc1OC)C(C#N)=C(C)N2 143041693 ANOXKDNMHLYCBG-SFHVURJKSA-N 346.390 3.716 50 1 EHGF CCn1c(O)nc2cccc(Oc3cc(C#N)cc(/C=C/C#N)c3)c21 1857540880 OLFFFOMZWAMFQG-SNAWJCMRSA-N 330.347 3.963 50 1 EHGF C=C[C@@](O)(CBr)CC[C@H](Br)C(C)(C)Cl 1638708 SEFMGOQEBNDFOL-WPRPVWTQSA-N 348.506 3.860 50 1 EHGF Cc1c(Cl)cccc1NC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 28367774 GXEXKWPCSKNOIN-RQZCQDPDSA-N 332.747 3.712 50 1 EHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@@H]2O[C@@H]2C[C@H]1Cl 2356794390 LEDMBGDKPSHKHA-YRKSKIDTSA-N 347.680 3.662 50 1 EHGF CCOC(=O)CCCCCc1cccc(NC(=O)NCCCl)c1 29063588 NBRSNJBKCKTDQD-UHFFFAOYSA-N 340.851 3.713 50 1 EHGF O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Cl)CCl)[nH]c12 587007359 CSOAZZHTGLTJBG-YFKPBYRVSA-N 338.976 3.752 50 1 EHGF O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 28873335 VUSKXKTXKLVBRE-GIDUJCDVSA-N 344.179 3.727 50 1 EHGF CC1(C)COP(=O)([C@@](O)(CCl)c2ccc(Cl)cc2)OC1 103235376 QTRGPHUHEKTRJL-ZDUSSCGKSA-N 339.155 3.990 50 1 EHGF C1C[C@@H]2[C@@H]3SS[C@@H]4C[C@@H]5CCCN5[C@@H]4SS[C@@H]3CN2C1 2356781896 JSMGJTNAIKSKKD-BPKMXRTBSA-N 346.612 3.541 50 1 EHGF CC(C=O)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](O)CC3 2356557229 GDLZVHXDIRSIJQ-YRFFXBIPSA-N 344.451 3.651 50 1 EHGF Cn1c(=O)c2c(c3ccccc31)O[C@@](C)(CC=CC(C)(C)OO)C=C2 2356458765 SAIWHEDPKCDURN-FQEVSTJZSA-N 341.407 3.917 50 1 EHGF O=C(CBr)Nc1cccc(-c2cnc3ccccc3n2)c1 96178011 OQSRIANAPJZHQT-UHFFFAOYSA-N 342.196 3.630 50 1 EHGF COC(C)(C)[C@@H](Br)c1nc2c(F)cnc(Cl)c2[nH]1 586970652 DGOFOSJHGVVTPN-QMMMGPOBSA-N 336.592 3.611 50 1 EHGF CN1C(=O)C[C@H]2CN[C@H](c3ccccc3CCl)c3cccc1c32 963022187 IDLLUDZXXXXXAW-ORAYPTAESA-N 326.827 3.568 50 1 EHGF Fc1ccc([C@@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)nc1 963105164 MTTNWOBLLIFXOI-CRAIPNDOSA-N 334.797 3.863 50 1 EHGF Cn1c(=O)c2c(c3ccccc31)O[C@](C)(CC=CC(C)(C)OO)C=C2 2356458766 SAIWHEDPKCDURN-HXUWFJFHSA-N 341.407 3.917 50 1 EHGF C1Cc2nc(SSc3nc4c(s3)COCC4)sc2CO1 1772583795 KVVQVCNKYWVGCR-UHFFFAOYSA-N 344.508 3.544 50 1 EHGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H]2O[C@H]2C[C@H]([C@H](Br)CC)O1 166191293 SYCAFZZXXDLZEM-RSWNBKDASA-N 347.680 3.662 50 1 EHGF CCCCC[C@@H](O)[C@@H](O)/C=C/[C@@H](CCCCCCCC(=O)O)OO 102182766 XKOSMZYONOMNMT-ZVWIDNOQSA-N 346.464 3.518 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 141102011 CWKYOGKBSDJJRH-IMTJIVIZSA-N 338.444 3.811 50 1 EHGF CCCCC[C@@H](/C=C/[C@@H](O)[C@@H](O)CCCCCCCC(=O)O)OO 231930824 OMGHMRGMXCUWQA-SYMVGPSASA-N 346.464 3.518 50 1 EHGF COc1cccc(/C=C/C(=O)c2ccc(NC(=O)CCl)cc2)c1 299864210 QUVPKWVWRLFJCP-BJMVGYQFSA-N 329.783 3.769 50 1 EHGF COc1ccc2c(COc3cccc(/C=C/C=O)c3)cc(=O)oc2c1 29482295 XDNMNBYHMHXMNB-HWKANZROSA-N 336.343 3.593 50 1 EHGF C[C@@]12Nc3ccccc3C1=C(c1ccccc1)C[C@H]1C(=O)OC(=O)[C@@H]12 73373073 VLCGADBNBBMNEO-FQELHTAISA-N 331.371 3.501 50 1 EHGF CCN(CC)CCNC1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40375138 UBICWXSQVITFSU-QGOAFFKASA-N 344.462 3.965 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cscn1)CC2=O 587495862 QCFHVUAJZSECLG-INIZCTEOSA-N 337.828 3.901 50 1 EHGF CCCc1c(O)ccc2c1OC1(CC2=O)CC(Br)C1 587460088 RKMBGCIHHMKTQJ-UHFFFAOYSA-N 325.202 3.606 50 1 EHGF Fc1ccc([C@]2(CCl)c3ccc(F)cc3C[C@H]3CCCN32)nc1 963105193 MTTNWOBLLIFXOI-QAPCUYQASA-N 334.797 3.863 50 1 EHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Cl 2356557580 UEYIDOJUVGQGFO-LOVFCKMRSA-N 347.680 3.662 50 1 EHGF CC=C[C@H](Cl)[C@H]1[C@@H]2C(=C(Br)CC)O[C@@H]3C[C@H]1O[C@H]23 2356802299 SBSVPNZWKLHPCR-DZXXBYIOSA-N 333.653 3.989 50 1 EHGF Nc1ccc(-c2ccc3nc(/C=C\CBr)[nH]c3c2)cc1N 586973402 JTLAPLBEXFLZNG-UPHRSURJSA-N 343.228 3.802 50 1 EHGF CCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 100863289 CBDFWIKOPAPNRI-CYDCSKORSA-N 338.444 3.955 50 1 EHGF COC1=C/C(=C/C(C#N)=C2/NC3=C(C[C@H](C)CC3)S2)C=CC1=O 13110680 GWRKYCZLCVDFRU-DLZNIYPPSA-N 326.421 3.685 50 3 EHGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2C)ccc1O 2356585127 DRSJAOIIWZUIAB-BUXKBTBVSA-N 340.375 3.859 50 1 EHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@@H]2O[C@@H]2C[C@@H]1Cl 2356794387 LEDMBGDKPSHKHA-DBWOOVFOSA-N 347.680 3.662 50 1 EHGF O=[N+]([O-])c1ccc(N/N=C(/CCl)c2ccccc2)c([N+](=O)[O-])c1 12503842 HNLCJXKVYWWDTN-LGMDPLHJSA-N 334.719 3.558 50 1 EHGF investigational CCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 28873365 ORYRJSBLTVOLQM-GZTJUZNOSA-N 347.396 3.599 50 1 EHGF N[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1COC1 587255758 QBFGVOPKNAURCB-SNVBAGLBSA-N 329.294 3.867 50 1 EHGF CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1 1857569528 XIOTYXFQWOQXIT-DDLUMYACSA-N 329.831 3.989 50 1 EHGF CC(C=O)=C1C=C2CC[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@]2(O)CC1 2356408391 DTLNNBJPRNNBTE-LMCOJAPRSA-N 332.440 3.644 50 1 EHGF COC(=O)n1c(CBr)c(Br)c2ccccc21 337463 PWHZKTGUSVYGTC-UHFFFAOYSA-N 347.006 3.913 50 1 EHGF Cc1nn(-c2nccs2)c2c1C(=O)CC(C)(C)[C@@H]2Br 61942799 KSDTZAWGXZOFIW-LLVKDONJSA-N 340.246 3.686 50 3 EHGF O=C(N/N=C/c1ccco1)c1nc2ccccc2nc1-c1ccccc1 40424828 XUZSBFRSBCAXHC-FYJGNVAPSA-N 342.358 3.654 50 1 EHGF O=C(CCl)[C@H](Cc1c[nH]c2ccccc12)NOCc1ccccc1 40423270 CXZCFRRAOSYJRB-SFHVURJKSA-N 342.826 3.608 50 1 EHGF O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cccc(F)c12 587632221 GVWMJUTZWRYETB-UHFFFAOYSA-N 342.757 3.842 50 1 EHGF Cc1cc(C(C)(C)NC(=O)[C@H](Br)C(C)(C)C)cc(C)n1 1503235 AOEMSQHYYYHFRN-ZDUSSCGKSA-N 341.293 3.859 50 1 EHGF C1C[C@@H]2[C@@H]3SS[C@@H]4C[C@@H]5CCCN5[C@@H]4SS[C@H]3CN2C1 2356781899 JSMGJTNAIKSKKD-ZSOGLFGHSA-N 346.612 3.541 50 1 EHGF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C(=O)O)[C@@]2(C)CCC(=CC=O)C(=O)O 2356442710 MZUWQYKAWILNGT-LNKGRISISA-N 348.439 3.840 50 1 EHGF CCCCOc1ccc(Oc2ccc(/C=N/NC(N)=O)cc2)cc1 27316958 YFEPNFQYJVCLAA-DEDYPNTBSA-N 327.384 3.660 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1CCBr)O2 587371400 DIOAXIHSDSREOI-MEDUHNTESA-N 338.245 3.866 50 1 EHGF Cc1oncc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500272 ZTCKTCKUXFUABA-SFHVURJKSA-N 331.799 3.961 50 1 EHGF Cc1nnc(NNC(=O)Nc2ccccc2)cc1Cc1ccccc1 26273840 ROPAEIAPCRCNIP-UHFFFAOYSA-N 333.395 3.524 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](C=C[C@H](Cl)CC)O1 2356648278 VFEVOEOMQSLWCB-ALYAQQCSSA-N 345.266 3.836 50 1 EHGF C[C@@H]1C(O)=C(C#N)C[C@]2(C)c3nn(C)c(-c4cccnc4)c3CC[C@@H]12 584905127 IQRJTLOGKWCNQB-APXLUKDGSA-N 334.423 3.678 50 1 EHGF in-vitro COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1Br)[C@@H](C2)C3=O 587417216 JZIVEWPFCPXKBL-DETPVDSQSA-N 337.213 3.519 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CC)(CBr)CC2=O 587455617 DXXZIPGZJYQMBR-HNNXBMFYSA-N 327.218 3.854 50 1 EHGF C/C(=N/NC(N)=O)c1ccc(Oc2ccc(Br)cc2)cc1 27315094 LCSBPDJEKQDNMJ-ZDLGFXPLSA-N 348.200 3.634 50 1 EHGF ClC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 40392843 MJHHVTRHTQVHQJ-HZPDHXFCSA-N 341.238 3.520 50 1 EHGF C[C@H](Br)C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 73197685 SZFHUBNCDBTHCZ-FBOQAHMBSA-N 348.196 3.898 50 1 EHGF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O 587419288 XPWHYFVNAAWMSS-SGJUXQJHSA-N 328.795 3.965 50 1 EHGF CCCCC[C@H](O)[C@@H](O)/C=C/[C@@H](CCCCCCCC(=O)O)OO 102182763 XKOSMZYONOMNMT-ACWVRRSXSA-N 346.464 3.518 50 1 EHGF O=C(Cl)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587279700 OXDRFHWRAKFZGW-UHFFFAOYSA-N 329.695 3.951 50 1 EHGF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CI)C1 28468667 OCCOPDTVLJQBPD-AAEUAGOBSA-N 349.643 3.810 50 1 EHGF CC(=O)Nc1ccc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)cc1 103288225 YFDGRYHMFNNHAA-AZWQULSGSA-N 336.863 3.813 50 1 EHGF O=C(N/N=C/c1ccccc1)c1ccccc1C(=O)c1ccccc1 103174576 SKNVGYZJCXLRCQ-PXLXIMEGSA-N 328.371 3.682 50 1 EHGF O=C(Nc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1 3066055 NIYIJDGDZAMZJP-UHFFFAOYSA-N 336.331 3.737 50 1 EHGF biogenic COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)cc1 587906490 HVDKURFYDAKXFP-UHFFFAOYSA-N 334.202 3.926 50 1 EHGF COc1ccc([C@H]2OC(N)=C(C#N)C3=C2CCC[C@H]3C)cc1OC 1652471 DHOQBHRVLACOAQ-ADLMAVQZSA-N 326.396 3.586 50 1 EHGF CCCCC[C@@H](/C=C/[C@@H](O)[C@H](O)CCCCCCCC(=O)O)OO 102183602 OMGHMRGMXCUWQA-WFZKJPOOSA-N 346.464 3.518 50 1 EHGF Cc1ccc(/N=C2/C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2Cl)cc1 169687474 IQBCOQPQUPKIGO-OQCHKFKFSA-N 326.783 3.557 50 1 EHGF CN(C)c1ccc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc1 49710233 BJXGGWYWXKQKIC-IBGZPJMESA-N 346.471 3.572 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCl)cc1)O2 587374671 IUIMECAJCXLJSX-KRWDZBQOSA-N 331.799 3.901 50 1 EHGF O=[N+]([O-])c1cccc2[nH]c(CCl)c(-n3nnc4ccccc43)c12 587643429 FJUICIYETNPQAV-UHFFFAOYSA-N 327.731 3.549 50 1 EHGF Cc1ccnc2c1CCN[C@]2(CCCCl)c1ccc(C#N)cc1 963068382 KLIGFPNUIGYFAF-LJQANCHMSA-N 325.843 3.670 50 1 EHGF COC(C)(C)[C@@H](Br)c1nc2c(C)cnc(Cl)c2[nH]1 586970349 DKEOBAYRWDRREN-VIFPVBQESA-N 332.629 3.781 50 1 EHGF CC(C)(F)[C@@H](Br)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587086530 CKCVYHXLGSTQSK-YFKPBYRVSA-N 341.106 3.507 50 1 EHGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@]1(O)C=CC(C)(C)OO1 166782173 ZGZLJOCYAMDSLT-GJCUDGATSA-N 334.456 3.902 50 1 EHGF CCOc1nccc2c1[C@H](c1ccc(C#N)cc1OC)C(C#N)=C(C)N2 143041907 ANOXKDNMHLYCBG-GOSISDBHSA-N 346.390 3.716 50 1 EHGF O=C(NN=C/C=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)n[nH]1 263590462 IVSHBDIIAXONPN-QUIKEXICSA-N 340.770 3.752 50 3 EHGF CCN(CC)c1ncnc2c1cnn2C[C@@H](Cl)c1ccccc1 40899249 SRFZLXIQIPPTRA-OAHLLOKOSA-N 329.835 3.653 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 141102410 CWKYOGKBSDJJRH-UVMXDOCQSA-N 338.444 3.811 50 1 EHGF O=C(CCl)Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 299858404 GNTACFWGDUZMDA-XCVCLJGOSA-N 344.754 3.668 50 1 EHGF CC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689105 PNQXVOJHNGTJMC-IYCUSSIYSA-N 348.643 3.534 50 1 EHGF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCl)cc1 587648917 JOJLVBPMKZQWAE-UHFFFAOYSA-N 349.839 3.986 50 1 EHGF NNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccc(F)cc1 3654287 MHXVHHMUQXNCSS-UHFFFAOYSA-N 335.791 3.715 50 1 EHGF O=C(Cl)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587279709 PBGBZAATHHSXNU-UHFFFAOYSA-N 329.695 3.951 50 1 EHGF CC(=O)Oc1ccccc1C(=O)Oc1ccc(Cl)cc1/C=C/C=O 1857650416 UHRWULQJHZLGQD-SNAWJCMRSA-N 344.750 3.697 50 1 EHGF CN(C)CCOc1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188825 VXLAOIPKODFLPZ-VBKFSLOCSA-N 332.407 3.567 50 1 EHGF CCO[P@@](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C 900687 HOQADATXFBOEGG-NRFANRHFSA-N 345.401 3.890 50 1 EHGF in-man CC1=CCOO[C@@H]1C[C@]1(C)[C@H](C)[C@H](O)C[C@]2(C)C(C)=CC(=O)C[C@H]21 2356476945 MVOYPAYCWDDLED-CKOOPXGMSA-N 334.456 3.602 50 1 EHGF CSCC[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3Cl)c21 4168812 IRQUCYXRVNGCPD-VIFPVBQESA-N 346.843 3.653 50 1 EHGF Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1OC(F)(F)F 100785076 ZJNYCAMZLABIFP-QBFSEMIESA-N 326.274 3.578 50 1 EHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@H](CC)O2)C[C@@H]1Cl 2356557581 UEYIDOJUVGQGFO-LZXPERKUSA-N 347.680 3.662 50 1 EHGF O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CBr 64372905 BUGYAVJNJWRZPJ-VXLLPVPCSA-N 343.220 3.989 50 1 EHGF O=C(N/N=C/C1=C(Cl)c2ccccc2CCC1)c1cccnc1 299827889 QBUSTQMSXMFUHY-CIAFOILYSA-N 325.799 3.784 50 1 EHGF COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCl)cc3CN1CC2 210432304 JMWRDCITGMOBIH-HNNXBMFYSA-N 349.883 3.899 50 1 EHGF O=C(CCCC[C@H]1CCSS1)OCCc1ccc(O)c(O)c1 66101135 YDJJMSLUAXFNEA-ZDUSSCGKSA-N 342.482 3.898 50 1 EHGF N#Cc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 586972362 NWIYGKHYVSGUJK-OWOJBTEDSA-N 341.006 3.605 50 1 EHGF COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1 13780609 IHKBGXGPWWAEPU-OQLLNIDSSA-N 325.364 3.785 50 1 EHGF C#CC=C[C@H](Cl)[C@H]1[C@@H]2C(=C(Br)CC)O[C@H]3C[C@H]1O[C@@H]32 2356449869 AYFFHUILZXJDLN-BBWHYJIMSA-N 343.648 3.602 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2cc(Br)ncc2[nH]1 587187156 DGOQEPULWPAZMW-IZZDOVSWSA-N 325.169 3.785 50 1 EHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CC2)N1 587687238 ZJVNKCFYZMVABO-XLKFXECMSA-N 332.644 3.967 50 1 EHGF O=C(NN[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 957682761 KTMDWSQGQLDWOU-IBGZPJMESA-N 330.387 3.545 50 1 EHGF Cc1nc2sc3ccccc3n2c1C(=O)N/N=C/c1ccccc1 653813209 WTZUSTXTBZEZKC-YBFXNURJSA-N 334.404 3.621 50 1 EHGF COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1F 586971236 PBEFSHAHSJUGCV-LLVKDONJSA-N 331.185 3.572 50 1 EHGF N[C@H](CCl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587011557 SLJCUCJFIFBJQI-ZCFIWIBFSA-N 342.546 3.583 50 1 EHGF CC(=O)OC(=O)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587098190 VVDSITSHGHCILE-UHFFFAOYSA-N 345.354 3.766 50 1 EHGF CC/C(=C\[C@@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@H]1O[C@H]1CC 42835423 CFXNHQNIKKFEDQ-LSWVZCMGSA-N 340.460 3.959 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2ccc(Br)nc2[nH]1 587187478 HKBUEJYBPQFFDU-DHZHZOJOSA-N 325.169 3.785 50 1 EHGF C[C@@H]1CN(C)CCN1C1=Nc2ccccc2/C(=C/C#N)c2ccccc21 40375238 BDFIHCDQILZLDZ-YCPFAOKUSA-N 342.446 3.669 50 1 EHGF CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)[C@@]1(O)C#N 96928259 WBSSOGUCWVQMFC-ODRDPRPESA-N 339.435 3.752 50 1 EHGF Cc1c(Cl)cccc1NC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 28361012 KXDGELPUGHROJR-RQZCQDPDSA-N 332.747 3.712 50 1 EHGF CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C=O)=CC(=O)O 2356546272 GCNXFAAYPBCBND-NLKHACGTSA-N 332.440 3.954 50 1 EHGF Oc1ccc2c(c1)[C@@H](c1ccc(CBr)cc1F)NCC2 963351642 HVBLCRJYCNOIEA-MRXNPFEDSA-N 336.204 3.661 50 1 EHGF C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1OO 71591590 RBMLFMIIGOFFQM-JBPXYRHBSA-N 348.439 3.574 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 194885269 CWKYOGKBSDJJRH-JFIHLENRSA-N 338.444 3.811 50 1 EHGF C#C/C=C\C[C@H]1O[C@@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Cl 140606880 UEYIDOJUVGQGFO-QGWUDCLISA-N 347.680 3.662 50 1 EHGF CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1ccc(C)cc1 1772577391 DIUGHFKCPYABJO-NPJZFRQBSA-N 332.403 3.501 50 1 EHGF Cc1ccc(/C=C(\C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587187668 KRUNZMATGZWUTF-SFQUDFHCSA-N 346.434 3.876 50 1 EHGF CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(C=O)=C/CCC1=CC(=O)OC1 238752662 YVONBTHGNOQAFF-ZPZLLIBOSA-N 330.424 3.717 50 1 EHGF CC(C)(CCl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546387 WJGIOSSKHJONPN-RHSMWYFYSA-N 332.783 3.987 50 1 EHGF Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1ccccc1/C2=C/C#N 100804922 XTONXKMKJURXTD-NVMNQCDNSA-N 342.446 3.589 50 1 EHGF COc1cc(/C=C(\C#N)c2ccc3c(c2)OCO3)cc(OC)c1OC 653714224 CJKNHAQNWIPILW-MKMNVTDBSA-N 339.347 3.505 50 1 EHGF O=C(Cl)c1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279729 PVYKVGLECSTCEC-UHFFFAOYSA-N 329.695 3.951 50 1 EHGF CC(C)(c1cccnc1)[C@H](I)c1cccnc1 29548848 BPACVLBDZBTCAO-CYBMUJFWSA-N 338.192 3.931 50 1 EHGF in-vivo CC(C)(C)[C@H](Br)C(=O)NCCc1csc(Cl)c1 103296516 MOJFOWHLFORCSV-SNVBAGLBSA-N 338.698 3.870 50 1 EHGF Cc1ccc(C(=O)NC[C@@H]2c3ccccc3CCN2CCCl)cc1 1772656253 MYZICIOFVNMBGU-LJQANCHMSA-N 342.870 3.563 50 1 EHGF COc1ccccc1N1[C@@H](c2c[nH]c3ccccc23)C(=O)[C@H]1Cl 16958254 XRJPTXAXTKITJS-WMZOPIPTSA-N 326.783 3.872 50 1 EHGF N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc2c(c1)OCC2 169321261 OCAYOGDDVLHBDH-FQEVSTJZSA-N 340.382 3.993 50 1 EHGF COc1ccc([C@@H]2OC(N)=C(C#N)C3=C2CCC[C@H]3C)cc1OC 1652469 DHOQBHRVLACOAQ-ZMZPIMSZSA-N 326.396 3.586 50 1 EHGF CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccccc1Cl)C(C#N)=C2N 4094873 OUQLAIQNZFNNMC-KRWDZBQOSA-N 328.799 3.791 50 1 EHGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccnc(O)c2[nH]1 586974291 UZCUHGGTQPYWQN-VIFPVBQESA-N 332.201 3.710 50 1 EHGF COc1cc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)ccc1C#N 103286588 CWZCUMLAKJANAL-GPAKFWEMSA-N 334.847 3.735 50 1 EHGF O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 1911572319 WNOAZHKSDTZOGP-HYARGMPZSA-N 340.386 3.994 50 1 EHGF CN(C)CCOc1ccccc1/C=C(\C#N)c1noc2ccccc12 40554909 BZQLZZBJQQGNNT-DTQAZKPQSA-N 333.391 3.832 50 1 EHGF FC1(F)Oc2cc3nc(CCCCBr)[nH]c3cc2O1 586972507 VIERCBKLTSZSFT-UHFFFAOYSA-N 333.132 3.602 50 1 EHGF CCCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 28873387 YSXRMIJZELYJKQ-GZTJUZNOSA-N 331.397 3.763 50 1 EHGF C[C@@H](NC(=O)OCCBr)c1nc2ccc(F)cc2s1 653689425 LXBJXSFJGTYTOF-SSDOTTSWSA-N 347.209 3.618 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CBr)(C(F)F)CC2=O 587464118 ITPQRYSAVFGLMC-CQSZACIVSA-N 349.171 3.709 50 1 EHGF O=C(NNc1nc2cc(F)ccc2n2cccc12)c1ccccc1F 28640451 LPRQFNSKZKOYMI-UHFFFAOYSA-N 338.317 3.523 50 1 EHGF Cc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 71341428 ALVMOVOHLSQVPB-UDWIEESQSA-N 349.346 3.927 50 1 EHGF CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CC)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 44201655 SEKJKOCIXZWYFI-QXFUVKNKSA-N 338.444 3.955 50 1 EHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2Cl 587543420 CDPALHOJKPPRHN-MPGHIAIKSA-N 330.767 3.884 50 1 EHGF Cc1cc(NC(=O)NCCSSCCN(C)C)ccc1Cl 618007631 CNVTVVFTZIIECH-UHFFFAOYSA-N 347.937 3.713 50 1 EHGF CCc1cc(C(=O)N[C@@H](CCl)c2ccc(C(C)(C)C)cc2)n(C)n1 103170003 FWBZRKNSXIYHPI-INIZCTEOSA-N 347.890 3.990 50 1 EHGF CC/C=C/C=C/CCC[C@]1(OC)CC[C@@H]([C@@H](C)C(=O)OC)OO1 14276650 ONNZFGNRKNJAJJ-DMTXSVLUSA-N 326.433 3.942 50 1 EHGF C/C(=N\NC(=O)Nc1ccc(Br)cc1)c1ccc(O)cc1 103198311 XIMVHKYUZRNOHH-VCHYOVAHSA-N 348.200 3.700 50 1 EHGF N#C/C(=C/c1ccccc1)c1nc2cc(Br)ncc2[nH]1 587187157 DGOQEPULWPAZMW-WDZFZDKYSA-N 325.169 3.785 50 1 EHGF CCOC(=O)[C@]1(C/C=C\CBr)CCCCCCC1=O 31898816 HTDXCWUTKRJFDK-LZNQSLFOSA-N 331.250 3.800 50 1 EHGF COc1ccc(/C=C\c2ccc(NC(=O)NCCCl)cc2)cc1O 28896313 NAHHWQYRIYTZNX-IHWYPQMZSA-N 346.814 3.932 50 1 EHGF CC(C)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541952 DXYXXCSDQDXRPS-QAPCUYQASA-N 332.783 3.987 50 1 EHGF CN(C)NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553607 USECNPMGMGHAQD-UHFFFAOYSA-N 345.255 3.639 50 1 EHGF CC1=C2CC/C(C=O)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O 169370403 GBVIWXZUPMCCRB-XJKNJXETSA-N 330.424 3.812 50 1 EHGF CC(C=O)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3 2356557226 GDLZVHXDIRSIJQ-HEFCWWFNSA-N 344.451 3.651 50 1 EHGF C=C1CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@H]1OO 2356664345 RBMLFMIIGOFFQM-KURKYZTESA-N 348.439 3.574 50 1 EHGF O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cccc(O)c1 38165478 NZNXWFXUGFQKDQ-STZFKDTASA-N 332.359 3.948 50 1 EHGF COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1F 95572088 HQEWRNVXMUMOHE-AUWJEWJLSA-N 343.354 3.924 50 1 EHGF CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 35077282 HVZXRPOTJNSLCB-FOCLMDBBSA-N 329.272 3.555 50 1 EHGF COc1ccc(/C=C(\C#N)n2nnc3ccc(C(F)(F)F)cc32)cc1 72123391 CJHHMWGMEIIDBW-MDWZMJQESA-N 344.296 3.980 50 1 EHGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2cccc([N+](=O)[O-])c12 587644370 WPQUNNJTKNYSGC-SSDOTTSWSA-N 341.161 3.709 50 1 EHGF COc1ccc([C@H]2OC(N)=C(C#N)C3=C2CCC[C@@H]3C)cc1OC 1652470 DHOQBHRVLACOAQ-BBATYDOGSA-N 326.396 3.586 50 1 EHGF O=C(N/N=C\c1ccc(Oc2ccc(F)cc2)cc1)c1ccncc1 66074151 WYMQCQXTZLFGPL-XKZIYDEJSA-N 335.338 3.777 50 1 EHGF COc1ccc(/C=C/c2ccc(NC(=O)NCCCl)cc2)cc1O 28896301 NAHHWQYRIYTZNX-NSCUHMNNSA-N 346.814 3.932 50 1 EHGF CC(=O)O[C@@H]1C[C@H](Br)C(C)(C)C=C1[C@@H](Cl)CCl 136187677 QUZAIDWFOLHMIO-AXFHLTTASA-N 344.076 3.884 50 1 EHGF COc1cc2c3c(ccc(-c4ccccc4)c3c1OC)C(=O)OC2=O 43064933 VYVPBGHHIYVSRP-UHFFFAOYSA-N 334.327 3.835 50 1 EHGF biogenic COC(C)(C)[C@H](Br)c1nc2cc(C#N)cc(Cl)c2[nH]1 586971216 PAGOICQZCFIUFP-LLVKDONJSA-N 342.624 3.949 50 1 EHGF CC1(C)Oc2c(c(O)nc3ccccc23)[C@@H]2[C@@H]1CC[C@@](C)(O)[C@@H]2Cl 1857535353 YMYIMKIYRMUBDY-LDHJFUFUSA-N 347.842 3.963 50 1 EHGF CC1=C(C#N)[C@@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C(F)(F)F)N1 68250978 HWKMGVPKZQVMJQ-OAHLLOKOSA-N 343.312 3.696 50 1 EHGF CC1(C)Oc2c(c(O)nc3ccccc23)[C@@H]2[C@H]1CC[C@](C)(O)[C@@H]2Cl 2356871942 YMYIMKIYRMUBDY-UIJSSTANSA-N 347.842 3.963 50 1 EHGF CC[C@@H]1OC(=O)CCCC/C=C/C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169358627 ZUMREQQVIGWVIM-RVUQELOPSA-N 326.864 3.989 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCCC1)O2 587376624 XRABRXLAJPEMBH-INIZCTEOSA-N 338.245 3.866 50 1 EHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428781 PKZQCYJYLJXFJP-KSSFIOAISA-N 332.758 3.716 50 1 EHGF O=[N+]([O-])c1ccc(N2Cc3ccccc3C[C@H]2CCl)c([N+](=O)[O-])c1 1772654582 WTRXEEIVLINBGD-AWEZNQCLSA-N 347.758 3.673 50 1 EHGF COc1ccc(Cl)cc1C#Cc1cccc([C@@H](Cl)C(N)=O)c1 587904598 RNCZSDRDBPMSFB-MRXNPFEDSA-N 334.202 3.514 50 1 EHGF CC=C(C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OC)C1)CCN2C 2356574243 SILDJCOKNNOTCC-XPGWFJOJSA-N 338.451 3.871 50 1 EHGF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1Br)[C@@H](C2)C3=O 587417218 JZIVEWPFCPXKBL-GHJWDPDVSA-N 337.213 3.519 50 1 EHGF O=C(N/N=C/c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 72174998 PWYOJIUDASVSLM-XDHOZWIPSA-N 335.319 3.619 50 1 EHGF COc1ccc(Cl)cc1C#Cc1csc(/C=C(/C#N)C(=O)O)c1 587918711 GFEZLUVRIIYZHG-JYRVWZFOSA-N 343.791 3.801 50 1 EHGF O=C(CCl)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 653720502 CLLFUTXKBUHRFQ-MRXNPFEDSA-N 343.770 3.511 50 1 EHGF Cc1ccc(S(=O)(=O)N2CC[C@@H](Cl)C[C@@H]2CC(C)C)cc1 28704299 XYRGQAOOVPBUBM-CABCVRRESA-N 329.893 3.802 50 1 EHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Cl)C[C@H](Br)[C@H](CC)O[C@H]12 2356389448 VKMXZNJYZLEIIP-MNQBEEPXSA-N 347.680 3.662 50 1 EHGF C[C@H]1CC[C@@]2(C)[C@@H](CC(C=O)=C[C@H]2C)[C@@]1(C)CCC1=CC(=O)O[C@H]1O 2356512619 ZTAJMOUEANOMLQ-ADTRWAPMSA-N 346.467 3.792 50 1 EHGF C/C(=N/NC(=O)c1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 111086057 CXZXCGNXJUJTER-LNOKANEKSA-N 335.245 3.991 50 3 EHGF CCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 253683615 CBDFWIKOPAPNRI-IADIPTBJSA-N 338.444 3.955 50 1 EHGF CC1=C2CC/C(C=O)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C\[C@@H]2OC1=O 169370405 GBVIWXZUPMCCRB-JPKNJKMLSA-N 330.424 3.812 50 1 EHGF Fc1c(Br)ccc2nc(/C=C\CBr)[nH]c12 586973016 DYXBNRRRHOIZDK-UPHRSURJSA-N 333.986 3.873 50 1 EHGF N#Cc1cc2nc(/C=C/CBr)[nH]c2cc1C(F)(F)F 586973716 NCNINSDFTVJPSD-OWOJBTEDSA-N 330.107 3.861 50 1 EHGF CC(C)(F)[C@@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587087056 LKQZFDYAXOFTKX-VIFPVBQESA-N 333.132 3.584 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Br)CC2=O 587457021 UKQWJALSSOMSJS-RFAUZJTJSA-N 327.218 3.852 50 1 EHGF CC=C[C@H](Cl)[C@H]1[C@@H]2C(=C(Br)CC)O[C@H]3C[C@H]1O[C@@H]32 2356802300 SBSVPNZWKLHPCR-HXEBITFNSA-N 333.653 3.989 50 1 EHGF COC1=C(C=O)C[C@H](O)[C@]2(C)CC(=O)[C@@]3(C)CCC(C(C)C)=C3[C@H]2C1 95911665 MPDGJYJEWOWKAO-ZHFAOOELSA-N 346.467 3.589 50 1 EHGF biogenic,in-vitro O=C1CS[C@H](c2c(F)cccc2F)N1C1[C@@H](Cl)C[C@H]1Cl 42888068 GGRGNTJXLUAOPG-PNDROWJDSA-N 338.206 3.526 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)c(O)c(C)c1)O2 587371891 HPKBYNRQSWNLPU-LJQANCHMSA-N 345.826 3.999 50 1 EHGF ClC[C@@H](Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587007508 DPZVEPRRUULSIM-SCSAIBSYSA-N 329.412 3.893 50 1 EHGF C[C@H](Br)[C@@]1(C(C)(C)C)NCCc2c(C(=O)O)cccc21 963124445 QTNGROQGKOJSKR-MGPLVRAMSA-N 340.261 3.555 50 1 EHGF O=C1C[C@](CCl)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587499960 WYHPRGLTKXTUSC-IBGZPJMESA-N 334.843 3.935 50 1 EHGF COC1=COC(CCl)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497214 HQUXLDBHVHYQHX-LJQANCHMSA-N 346.810 3.910 50 1 EHGF C[C@H](Cl)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26577024 MXLRMPHJMDAKJJ-MEDUHNTESA-N 344.798 3.671 50 1 EHGF Cc1ccc(/C=N/NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 103174584 OOKCHYRCDNUBSO-HZHRSRAPSA-N 342.398 3.990 50 1 EHGF CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 1857644714 NPNCSVHAFJKMKU-FYJGNVAPSA-N 337.423 3.706 50 1 EHGF CC(C)(C)[C@@H](Br)C(=O)NCCc1csc(Cl)c1 103296520 MOJFOWHLFORCSV-JTQLQIEISA-N 338.698 3.870 50 1 EHGF C[C@@H]1CCC[C@@]23OO[C@](C)(CC[C@@H]12)O[C@H]3OC(=O)Cc1ccccc1 101270034 MJJUSKUKYJUPQQ-YYEFJNLCSA-N 346.423 3.762 50 1 EHGF CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4 195306300 JNCYHPJSAHYUHH-XJIZNKBASA-N 337.460 3.625 50 1 EHGF O=C(O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@@H]1CC(F)(C3)C2 49783692 PMCCPALUHVHZEV-YIZQFJCPSA-N 340.391 3.571 50 1 EHGF O=C(c1coc2ccccc12)[C@H](Br)CBr 587280447 FPVGFZWNOVUHSY-SECBINFHSA-N 331.991 3.774 50 1 EHGF Oc1ccc2c(c1)[C@H](c1ccc(CBr)cc1F)NCC2 963351639 HVBLCRJYCNOIEA-INIZCTEOSA-N 336.204 3.661 50 1 EHGF C[C@]1(O)CC[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CCOOC1 2356512212 PCIRZCVYFQHVCY-CXQPBAHBSA-N 338.488 3.621 50 1 EHGF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C=O)=C(C)[C@@H]3CC(=O)[C@@H]12 38317914 NSFZNZUBLBMNLD-JZTRKIHISA-N 346.467 3.877 50 1 EHGF N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)OCCc1ccccc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c1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1 15994360 INSCAFMGYGRJSL-SCDVKCJHSA-N 333.178 3.634 50 1 EHGF COc1ccc(N2[C@H](Cl)C(=O)[C@H]2c2c[nH]c3ccccc23)cc1 105508261 LJUXUWDXIRPKNI-AEFFLSMTSA-N 326.783 3.872 50 1 EHGF COc1cc2c3c(c1)O[C@](CCl)([C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O 587420757 IQFASZVLVAIYLL-DWIDWGCHSA-N 332.827 3.856 50 1 EHGF C[Si](C)(C)Oc1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1 962988289 XUPWDFNVHGVIMU-SFHVURJKSA-N 337.499 3.783 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169319702 CWKYOGKBSDJJRH-AKRICMDLSA-N 338.444 3.811 50 1 EHGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OCC2(C)C)[C@@H]1c1ccc2n[nH]c(C)c2c1 169703229 MCETWHATGTVTFX-RDJZCZTQSA-N 348.406 3.554 50 1 EHGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1[C@@H]1C=C[C@H](C=O)[C@@H](O)OO1 2356777220 PMTMAICXMDKYOW-GZKCFLEVSA-N 334.456 3.805 50 1 EHGF COC(C)(C)[C@@H](Br)c1nc2cnc3ccccc3c2[nH]1 586971848 ZUYWNDILMBCEQU-ZDUSSCGKSA-N 334.217 3.972 50 1 EHGF CC/C=C/C=C/CCC[C@]1(OC)CC[C@H]([C@@H](C)C(=O)OC)OO1 14276656 ONNZFGNRKNJAJJ-GEIWBVEPSA-N 326.433 3.942 50 1 EHGF C#C/C=C\[C@H](Cl)[C@H]1[C@@H]2C[C@@H]3O/C(=C(/Br)CC)[C@H]1[C@@H]3O2 238775992 AYFFHUILZXJDLN-ALMUKOJGSA-N 343.648 3.602 50 1 EHGF O=C1c2ccccc2C(=O)N1Cc1c(CCl)[nH]c2cc(F)ccc12 587632762 OSJARCQGPLTDEA-UHFFFAOYSA-N 342.757 3.842 50 1 EHGF CC[C@H](C=CC(C)=O)C[C@]1(C)C[C@@H](CC)[C@H](CC(=O)OC)OO1 2356554401 WEYWQMIIZQNRQV-XLMAVXFVSA-N 326.433 3.616 50 1 EHGF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Cl)CCl)[nH]c12 587008397 OIPQHYTXHRVJSV-YFKPBYRVSA-N 338.976 3.752 50 1 EHGF CCN1CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1 40374694 XJTAYDWZYXNQMS-WQRHYEAKSA-N 342.446 3.671 50 1 EHGF Cc1ccc(N(/N=C/c2cccc(O)c2)C(=O)C(F)(F)F)c(C)c1 96928712 JAPAKIKPWANDPJ-UFFVCSGVSA-N 336.313 3.938 50 1 EHGF O=C1C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H](c2ccccc2)C1 103294649 SQYPYZUIDTZWHO-ROUUACIJSA-N 327.811 3.899 50 1 EHGF NCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 49803684 FDPJUBFRCOORJU-UHFFFAOYSA-N 349.458 3.842 50 1 EHGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(N)ccnc2[nH]1 586973143 FYHQHYYKNBDWAV-VIFPVBQESA-N 331.217 3.587 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169319698 CWKYOGKBSDJJRH-XZWCIGSBSA-N 338.444 3.811 50 1 EHGF C=C1[C@H](C)C[C@@H]2O[C@]2(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2O 238749686 BDOIVSNOYYRVKL-LJYYEHPYSA-N 349.696 3.642 50 1 EHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CC2)N1 587685689 RGXGMPWJMQGVCD-RTHLEPHNSA-N 332.644 3.967 50 1 EHGF COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(CCl)nc2c1 587909856 BAUIRVRKCCCEBG-UHFFFAOYSA-N 332.190 3.759 50 1 EHGF CCCn1c(C)cc([C@@]2(CCl)NCCc3c(C)ccnc32)c1C 963071367 RFTNAXHCNFSDHM-LJQANCHMSA-N 331.891 3.846 50 1 EHGF C#C/C=C\[C@H](Cl)[C@@H]1[C@@H]2/C(=C(/Br)CC)O[C@@H]3C[C@H]1O[C@H]23 32303226 AYFFHUILZXJDLN-MRLJGCBVSA-N 343.648 3.602 50 1 EHGF biogenic,in-vitro CC1=C2CC/C(C=O)=C\CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O 169370404 GBVIWXZUPMCCRB-YVZFFLCCSA-N 330.424 3.812 50 1 EHGF COC(C)(C)[C@H](Br)c1nc2ccc3ncccc3c2[nH]1 586971778 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31162562 AVRIRMRRWLLLDT-CBYQQGIISA-N 334.456 3.748 50 1 EHGF COc1cccc(N2[C@H](Cl)C(=O)[C@H]2c2c[nH]c3ccccc23)c1 105508255 CDBNCKGMNLGJJQ-AEFFLSMTSA-N 326.783 3.872 50 1 EHGF C=C[C@@]1(C)CC[C@H]2[C@@]3(C)CCC(C(=O)OC)=C(C=O)[C@H]3CC[C@@]2(O)C1 238761241 STSSIXLXPNXXKZ-GZSKETOLSA-N 346.467 3.589 50 1 EHGF CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4 169371515 JNCYHPJSAHYUHH-INEZEAPOSA-N 337.460 3.625 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)CCCl)cc1)O2 587375738 OMXYBQWFOCLMOY-GOSISDBHSA-N 344.842 3.959 50 1 EHGF COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1F 586971242 PBEFSHAHSJUGCV-NSHDSACASA-N 331.185 3.572 50 1 EHGF CC[C@@H]1OC(=O)CCCCC=CCC=C[C@@H]2[C@H](O)[C@H](Cl)C[C@@H]12 2356459049 ZUMREQQVIGWVIM-QXUSFIETSA-N 326.864 3.989 50 1 EHGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@H]1C=C(C=O)[C@H](CO)OO1 165949310 LDZZLXBAWRGTQA-QTVCLEQKSA-N 334.456 3.602 50 1 EHGF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Cl)CCl)[nH]c21 587008645 PZHZOWVEDSVJJV-NSHDSACASA-N 345.185 3.857 50 1 EHGF CC(C)CCO[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1 195434822 IXVUXLQMHZTETL-CVEARBPZSA-N 328.525 3.921 50 1 EHGF CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccccc3)[C@H]1[C@H]2COC(=O)CCl 504795509 WDVFWRCDJREHFA-YRCFFLIPSA-N 334.843 3.985 50 1 EHGF biogenic CC1(C)O[C@]23C=C(C=O)CC[C@]24[C@@H]1CC[C@@]4(C)Oc1ccc(O)cc13 2356728629 PXYOBXAVEVGYNT-WLRLJWMZSA-N 340.419 3.863 50 1 EHGF O=C(NNC(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 6510794 PRAWPBUBOUJDSI-UHFFFAOYSA-N 338.388 3.615 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195242095 MCALLTKYCRBDHT-SZRVZAORSA-N 332.387 3.892 50 1 EHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(CCl)CCl 587542105 FQILKYGRVXWLTG-ZDUSSCGKSA-N 339.174 3.570 50 1 EHGF CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CCC(C=O)=CCC[C@@]1(C)O[C@H]1C2 2356332519 HFYSQTZIFVBRTC-IVDHNXQLSA-N 336.472 3.558 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](c3cccn3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 38140130 GKPMNMIGONGFPL-IQSDECSOSA-N 347.455 3.948 50 1 EHGF Fc1cc(Br)cc2nc(/C=C\CBr)[nH]c12 586972758 BBRVVYRRAGZJPD-UPHRSURJSA-N 333.986 3.873 50 1 EHGF O=C(CBr)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 73198621 PYIGVJUTXGYBKM-BQYQJAHWSA-N 334.169 3.509 50 1 EHGF Cc1ccccc1C(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C 103181866 ATAGSKVAWDKBCP-UHFFFAOYSA-N 328.387 3.720 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccc(F)cc1)O2 587384762 ORXBHIBQDDNZPP-SFHVURJKSA-N 333.790 3.902 50 1 EHGF Cc1ccc(NC(=O)NCCSSCCN(C)C)cc1Cl 618007649 JPKMEYVJOORAFG-UHFFFAOYSA-N 347.937 3.713 50 1 EHGF O=C1/C(=C/NNC(=O)c2cccc3ccccc23)Sc2ccccc21 15974039 DVQPIRJRWKXSRG-PDGQHHTCSA-N 346.411 3.904 50 3 EHGF CC(C)CC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 194885284 CWKYOGKBSDJJRH-IFAONHFVSA-N 338.444 3.811 50 1 EHGF COc1cc(OC)cc(/C(=C\C#N)c2ccc(OC)c(OC)c2)c1 33968460 QNZGJJKAOJFFSP-IDUWFGFVSA-N 325.364 3.676 50 1 EHGF C[C@]1(O)CC[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CCOOC1 238780077 PCIRZCVYFQHVCY-IVDHNXQLSA-N 338.488 3.621 50 1 EHGF CCCc1c(O)ccc2c1OC1(CC2=O)CC(CBr)C1 587455910 HPXPDYTZOCAMBG-UHFFFAOYSA-N 339.229 3.854 50 1 EHGF CC=C(C)C=CCCC[C@]1(OC)C[C@@H](C)[C@@H](CC(=O)OC)OO1 2356698372 SXYZFCRIZKWROR-JFIYKMOQSA-N 326.433 3.942 50 1 EHGF Cc1ccc(N2C(=O)CS/C2=C(\C#N)c2nc3ccccc3[nH]2)cc1 13216569 WVCBLKSMRVLLPZ-XMHGGMMESA-N 346.415 3.844 50 1 EHGF COc1ccc(Cl)cc1C#Cc1cc(CBr)on1 587899735 IEWFEZBICNEVCP-UHFFFAOYSA-N 326.577 3.631 50 1 EHGF CC(C)C1=C(O)C(=O)C2=C(C1=O)C(C=O)=C1C(C)(C)CCC[C@]21C 49793564 AXUDKNLRFSBRIY-HXUWFJFHSA-N 328.408 3.628 50 1 EHGF biogenic O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1[C@@H](Cl)C[C@H]1Cl 299806645 GGRGNTJXLUAOPG-CLBUKXALSA-N 338.206 3.526 50 1 EHGF CS(=O)(=O)c1ccc2[nH]c(CCCCl)c(CCCl)c2c1 587648658 DBBGQSMJLLMVSC-UHFFFAOYSA-N 334.268 3.524 50 1 EHGF N#CC1=C(N)OC2=C(CCc3ccccc32)[C@H]1c1cccc([N+](=O)[O-])c1 3931938 OFFDVEOYQDZJDD-GOSISDBHSA-N 345.358 3.760 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccn(C)c1)CC2=O 587461752 SOXVIRLIADYEGB-SFHVURJKSA-N 333.815 3.783 50 1 EHGF O=C(NCCc1ccccc1)c1cc2cc(CCl)ccc2oc1=O 26574884 XDCSFIZADVRLER-UHFFFAOYSA-N 341.794 3.504 50 1 EHGF Cl[C@H](Cn1ncc2c(N3CCCCC3)ncnc21)c1ccccc1 40409245 CGAJHTAPHFZAKU-MRXNPFEDSA-N 341.846 3.797 50 1 EHGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)on1 587496904 GUBZLUPTNZJAGS-GOSISDBHSA-N 331.799 3.961 50 1 EHGF Cc1nn(-c2nccs2)c2c1C(=O)CC(C)(C)[C@H]2Br 61942797 KSDTZAWGXZOFIW-NSHDSACASA-N 340.246 3.686 50 3 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3ccncc13)O2 587374493 YLQSRMZLYOTDDV-SFHVURJKSA-N 341.798 3.553 50 1 EHGF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C=O)=CC(=O)O 2356842653 MWUYQZXDULUQDW-NLKHACGTSA-N 332.440 3.954 50 1 EHGF CC(C)=C(C)CC[C@@]1(CO)Nc2ccc(C(=O)O)cc2C[C@H]1Cl 2356816979 DGGLCZSELPWDEN-AEFFLSMTSA-N 337.847 3.828 50 1 EHGF O=C(O)CC1CCC2(CC1)OOC1(O2)[C@@H]2CC3C[C@@H]1CC(F)(C3)C2 102030601 PMCCPALUHVHZEV-DJPQYZFNSA-N 340.391 3.571 50 1 EHGF COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1 13780599 IHKBGXGPWWAEPU-DHDCSXOGSA-N 325.364 3.785 50 1 EHGF C=C(c1ccccc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 44018438 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341.798 3.690 50 1 EHGF O=C(O)c1cccc2c1CCN[C@]2(CCCCl)c1ccc(F)cc1 963128500 AUDNBJBVEYHUSD-LJQANCHMSA-N 347.817 3.932 50 1 EHGF CCN1CCN(C2=Nc3ccccc3C(=CC#N)c3ccccc32)CC1 1857741934 XJTAYDWZYXNQMS-UHFFFAOYSA-N 342.446 3.671 50 1 EHGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1CC)[C@@]24OO3 169371681 PFGRODFYLAFVPX-GGHVOWDZSA-N 326.433 3.621 50 1 EHGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2C)ccc1O 238771580 DRSJAOIIWZUIAB-HURSWHOMSA-N 340.375 3.859 50 1 EHGF ClC[C@@H](Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587009230 YIZXCRISZLKHKD-SCSAIBSYSA-N 329.412 3.893 50 1 EHGF CC(C)(F)[C@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587086982 KTPDMZZGQQSNTB-SECBINFHSA-N 333.132 3.584 50 1 EHGF CC[C@@H]1OC(=O)CCCCC=CCC=C[C@@H]2[C@H](O)[C@@H](Cl)C[C@H]12 2356459047 ZUMREQQVIGWVIM-DNCCFGNJSA-N 326.864 3.989 50 1 EHGF C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@@H]2[C@@]1(C)CCC(=CC(=O)O)CO 2356580815 AVRIRMRRWLLLDT-SIKIZQCASA-N 334.456 3.748 50 1 EHGF CCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372180 CBDFWIKOPAPNRI-QOJRLFKQSA-N 338.444 3.955 50 1 EHGF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C(=O)O)[C@@]2(C)CCC(C=O)=CC(=O)O 2356678012 NHEQOXRJNUCTNP-XNFNUYLZSA-N 348.439 3.840 50 1 EHGF O=C(NNC(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl 290491 LAZRVSMNESJTSW-SCVCMEIPSA-N 348.855 3.752 50 1 EHGF O=C(O)c1cc(Br)cc2nc([C@@H](Cl)CCl)[nH]c12 587008030 KPQKZYPPZUHUPS-LURJTMIESA-N 337.988 3.542 50 1 EHGF CC[C@]1(CCCBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411580 FAQQARKDMCGSKP-MLGOLLRUSA-N 339.229 3.767 50 1 EHGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2C)ccc1O 2356585126 DRSJAOIIWZUIAB-BLVKFPJESA-N 340.375 3.859 50 1 EHGF CC[C@@H]1OC(=O)CCCC/C=C\C/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169358626 ZUMREQQVIGWVIM-BSHMPSNISA-N 326.864 3.989 50 1 EHGF CC1(C)CCC[C@]2(C)[C@H](CCC3=CC(=O)O[C@@H]3O)C(C=O)=CC[C@@H]12 14499731 NSPMBWKQIHHDLF-NDUPCHFUSA-N 332.440 3.546 50 1 EHGF biogenic Cc1ccc(/N=C2/C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2Cl)cc1 169687475 IQBCOQPQUPKIGO-QOBDKFOYSA-N 326.783 3.557 50 1 EHGF CC=C(C)C=CCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 2356698375 SXYZFCRIZKWROR-XYJFISCASA-N 326.433 3.942 50 1 EHGF Cc1ccc2c(c1)-c1nc(N)nc([C@@H]3CC[C@@H](Br)O3)c1C2 28128521 CNDPNXGEKIICHK-STQMWFEESA-N 346.228 3.511 50 1 EHGF COc1ccc(N2[C@@H](c3c[nH]c4ccccc34)C(=O)[C@H]2Cl)cc1 1633491 LJUXUWDXIRPKNI-WMZOPIPTSA-N 326.783 3.872 50 1 EHGF C[C@]1(O)CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]1CCC1=CCOOC1 2356512214 PCIRZCVYFQHVCY-DEPCRRQNSA-N 338.488 3.621 50 1 EHGF CC1(C)O[C@]23C=C(C=O)CC[C@]24[C@H]1CC[C@]4(C)Oc1ccc(O)cc13 2356728628 PXYOBXAVEVGYNT-WJMWBRGCSA-N 340.419 3.863 50 1 EHGF CCCCC(=O)N/N=C/c1c(C(=O)OCC)[nH]c2cc(Cl)ccc12 1857560575 RAPWSDYQWIIAOM-VXLYETTFSA-N 349.818 3.638 50 1 EHGF COc1cc(C(=O)N/N=C(\C)c2cccc3ccccc23)ccc1O 13864078 CAXCDTSMJVFGEP-FYJGNVAPSA-N 334.375 3.708 50 1 EHGF C1CC2(CCC1CNC1CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43569632 AWNSPCMRJRGXCX-UHFFFAOYSA-N 333.472 3.756 50 1 EHGF CCOC(=O)/C=C1/[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1OC 194861793 UPPVLWUIRVAFAO-SPFGNVRQSA-N 344.524 3.648 50 1 EHGF C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238746424 FHXRMLOJHBNIFY-NXPWRIFJSA-N 348.439 3.957 50 1 EHGF O=C(NNc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccccc1 653796655 QFSHTDJHBQUAKL-UHFFFAOYSA-N 339.786 3.946 50 1 EHGF C[C@@H]1CN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CCN1C 40676442 BKJFDIMYCBODPU-YCPFAOKUSA-N 342.446 3.669 50 1 EHGF FC(F)(F)C(F)(F)c1cc2nc(CBr)[nH]c2cn1 586972483 TZNWATKBNQWCJL-UHFFFAOYSA-N 330.054 3.507 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c3ncccc13)O2 587372964 OLRLXGRIBCAJTB-SFHVURJKSA-N 341.798 3.553 50 1 EHGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C[C@@H]1Cl)[C@@H](C2)C3=O 587420320 JTRLSRGFKRMLIH-QOKNQOGYSA-N 326.779 3.502 50 1 EHGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(F)c(F)c(F)c1 653829472 JMPOAMWCDIRLOV-AWEZNQCLSA-N 348.324 3.555 50 1 EHGF O=C1C(=O)N(CCCCCCCCBr)c2ccccc21 1857649527 XVHMAWYIRCXWFC-UHFFFAOYSA-N 338.245 3.951 50 1 EHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@H]2C[C@H]1Cl 2356451682 NVMRARRBFWEZAC-HGPDSQILSA-N 347.680 3.662 50 1 EHGF CC(C)OP(=O)(OC(C)C)[C@@H]1C(C#N)=C(N)Oc2ccccc21 103249351 SYQXGBYMSZPUFA-HNNXBMFYSA-N 336.328 3.857 50 1 EHGF C[C@@H](Br)[C@]1(C(C)(C)C)NCCc2c(C(=O)O)cccc21 963124443 QTNGROQGKOJSKR-HWPZZCPQSA-N 340.261 3.555 50 1 EHGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(O)c2)ccc1OC 73169084 CWTRJWKDYPPKFI-DHDCSXOGSA-N 325.364 3.763 50 1 EHGF C=CCC[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413706 IUUAVWQCESUUKX-WBMJQRKESA-N 337.213 3.543 50 1 EHGF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)C(C=O)=CC(=O)O 2356683434 VDNDZFKNZXBUAT-MIALQEHNSA-N 334.456 3.746 50 1 EHGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 9053 FWHWVRTWACBFLP-KEBDBYFISA-N 340.766 3.668 50 1 EHGF O=C1CS[C@@H](c2c(F)cccc2F)N1C1[C@@H](Cl)C[C@@H]1Cl 42888077 GGRGNTJXLUAOPG-MREMCGJQSA-N 338.206 3.526 50 1 EHGF C=C(c1ccccc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 44018440 YVULJZBPACYSTA-LROBGIAVSA-N 344.407 3.807 50 1 EHGF CCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195339327 CBDFWIKOPAPNRI-OYGYLSKNSA-N 338.444 3.955 50 1 EHGF CC=C(C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@H](OC)C1)CCN2C 2356574242 SILDJCOKNNOTCC-UIAACRFSSA-N 338.451 3.871 50 1 EHGF C=C(C)C1=CC(=O)[C@@H]2C[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@]2(OO)CC1 136899723 JYOMOFXSZVAADM-MGFONVBGSA-N 348.439 3.997 50 1 EHGF Cc1ccnc2c1CCN[C@]2(CCBr)c1ccc(F)cc1 963089667 QMHHKKQUWUEPGN-QGZVFWFLSA-N 349.247 3.703 50 1 EHGF CC1=C(SC#N)S(=O)(=O)N(c2ccccc2)C(C)=C1SC#N 1620528 GXCAAQHHFMUJKS-UHFFFAOYSA-N 349.462 3.728 50 1 EHGF C[C@H](c1ccc(CBr)cc1)c1nc2ccnc(O)c2[nH]1 586974290 UZCUHGGTQPYWQN-SECBINFHSA-N 332.201 3.710 50 1 EHGF C=C1CC[C@@H]2O[C@]2(C)CC[C@H]2C(=CC=CC(C)(C)OO)COC(=O)[C@@H]12 2356553044 LYNQLUCBGBCZBC-OGNFBWPZSA-N 348.439 3.814 50 1 EHGF COC(=O)C=C(C=O)[C@H](O)C[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C 2356569856 TVEPRAJDQDBLSD-DCXXXQMHSA-N 348.483 3.835 50 1 EHGF C[C@@H](Cl)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26577025 MXLRMPHJMDAKJJ-BZNIZROVSA-N 344.798 3.671 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](C=C[C@H](Cl)CC)O1 2356648281 VFEVOEOMQSLWCB-XAJHFOFHSA-N 345.266 3.836 50 1 EHGF C[C@@H]1[C@H](Br)C(=O)[C@H](Br)[C@H](C)C12CCCC2 5920115 LGVIUUUGROMXGQ-FIRGSJFUSA-N 338.083 3.929 50 1 EHGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(O)=C(C#N)C[C@]34C)[C@@H]1CC[C@@H]2O 198354234 WNPBBBQFDAPUSS-KJXREMBBSA-N 329.440 3.515 50 1 EHGF N#Cc1cc2nc(/C=C\CBr)[nH]c2cc1C(F)(F)F 586973717 NCNINSDFTVJPSD-UPHRSURJSA-N 330.107 3.861 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnoc1C)CC2=O 587461954 VKJCJRHLQQKHBP-QGZVFWFLSA-N 335.787 3.741 50 1 EHGF CC1(C)OC(c2ccccc2)=C/C(=C/C=N/NC(=O)c2ccncc2)O1 2266826 SWROKIJTBPBNIO-KWHVPRLASA-N 349.390 3.505 50 3 EHGF COc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1OC 23352 DZMANEJEPAEVPF-UHFFFAOYSA-N 325.364 3.676 50 1 EHGF C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@H](Cl)CC)O1 59151538 VFEVOEOMQSLWCB-YRZRSXHCSA-N 345.266 3.836 50 1 EHGF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CCl)c1)[C@@H](C2)C3=O 587420204 GRRDWVBQFSGLIO-IFXJQAMLSA-N 344.794 3.802 50 1 EHGF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1ccnc(CCl)n1 587940978 QWOXAQFWAOWETB-UHFFFAOYSA-N 336.178 3.738 50 1 EHGF C[C@@H]1OC(=O)C(=CCCCCCCCCC[C@H]2C=CCOO2)[C@@H]1O 2356437724 DQANUGZSSLNMMY-XYJFISCASA-N 338.444 3.617 50 1 EHGF C/C(=N\NC(=O)Nc1ccc(Br)cc1)c1ccc(N)cc1 5596797 NMNCOJCCJPECSD-VXLYETTFSA-N 347.216 3.577 50 1 EHGF CCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 100863292 CBDFWIKOPAPNRI-JFIHLENRSA-N 338.444 3.955 50 1 EHGF C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OO 197426723 YTDPGSFBSYYROT-UVIHBWEYSA-N 336.472 3.958 50 1 EHGF O=[N+]([O-])c1cc2nc(CCCCBr)[nH]c2cc1Cl 586972163 IZPTZBZBGQWEEF-UHFFFAOYSA-N 332.585 3.842 50 1 EHGF C[C@H](Br)c1nc2cc(C#N)cc(Br)c2[nH]1 587008239 KJYLYQCIZUHJNE-YFKPBYRVSA-N 328.995 3.653 50 1 EHGF CC[C@@]1(CCCBr)CC(=O)c2cc(C)cc(N)c2O1 587375609 UOGHNATVDQKTPK-OAHLLOKOSA-N 326.234 3.866 50 1 EHGF CC(C)(F)[C@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 587087277 NSCTZBBOQFKCOC-SECBINFHSA-N 331.576 3.667 50 1 EHGF N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOC1 587248779 VZPZVXGAAZURGM-LLVKDONJSA-N 329.294 3.795 50 1 EHGF O=C1C[C@@](CBr)(C(F)F)Oc2c1ccc1c2CCCC1 587510166 ZLLDCUSGWAXQFX-OAHLLOKOSA-N 345.183 3.929 50 1 EHGF O=P(CCCN=C=S)(OCC(F)(F)F)OCC(F)(F)F 1772637146 ZCSPZWWFUQWKGN-UHFFFAOYSA-N 345.201 3.830 50 1 EHGF Fc1cc2[nH]c(CCCCBr)nc2cc1-n1cccn1 586972520 VTSDIDURWORAEA-UHFFFAOYSA-N 337.196 3.605 50 1 EHGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc2[nH]ccc2c1 13864072 CIMWKLHDLHWKII-WSDLNYQXSA-N 329.359 3.791 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(F)c(F)c1)O2 587382973 WGWDRKVKZAQGJQ-QGZVFWFLSA-N 337.753 3.955 50 1 EHGF C#CC=C[C@H](Cl)[C@@H]1[C@H]2C[C@@H]3OC(=C(Br)CC)[C@H]1[C@H]3O2 2356449871 AYFFHUILZXJDLN-VPLWTHEFSA-N 343.648 3.602 50 1 EHGF CCCCC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169340339 CBDFWIKOPAPNRI-JXNVIROKSA-N 338.444 3.955 50 1 EHGF N[C@H](CCl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587010263 HVDFBVPJDCQREW-RXMQYKEDSA-N 342.546 3.583 50 1 EHGF Cc1nc2[nH]c(CCCCBr)nc2cc1Br 586971886 ADBCLLIWHFMFIF-UHFFFAOYSA-N 347.054 3.746 50 1 EHGF CC(C=O)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3 2356557228 GDLZVHXDIRSIJQ-NFQYFHPZSA-N 344.451 3.651 50 1 EHGF N#C/C=C1/c2ccccc2N=C(NCCN2CCCC2)c2ccccc21 40676351 GOCLMMKVHAGJSC-WOJGMQOQSA-N 342.446 3.719 50 1 EHGF CC(C=O)=C1C=C2CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]3(C)[C@@]2(O)CC1 2356408393 DTLNNBJPRNNBTE-VBSBHUPXSA-N 332.440 3.644 50 1 EHGF COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)C)[C@@H](C2)C3=O 587412408 BVHURUSTHOZWQU-MEDUHNTESA-N 339.229 3.622 50 1 EHGF Cc1ccc([C@]2(CSC#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407704 CHUMMMIJNPNENM-LJQANCHMSA-N 338.432 3.961 50 1 EHGF CC1(C)C(=O)C=C[C@@](C)(O)[C@@]12CC[C@](C)(Cl)[C@@H](Br)C2 2356788089 BWEBMEQXFRBPSI-BSLXNSKLSA-N 349.696 3.834 50 1 EHGF CCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)O)[C@H]2C[C@H]1OO2 2356851755 QJMSVQBPOXPBFN-NNPSNHGLSA-N 338.444 3.630 50 1 EHGF C=CCC/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O 95808878 WTHONBTVRFKAAH-HMMYKYKNSA-N 345.443 3.740 50 1 EHGF CCOC(=O)[C@@H](Cl)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962666563 KPQAZKBNQFJPTM-QUCCMNQESA-N 343.854 3.885 50 1 EHGF C=C(CC[C@@H](O)C(=C)C)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 43100171 YQRNPGPBHWTAPC-JBUMSTDASA-N 334.456 3.759 50 1 EHGF Cc1cc2[nH]c([C@@H](Br)C(C)(C)F)nc2cc1[N+](=O)[O-] 587087790 UMISSNCQAZZQQV-SNVBAGLBSA-N 330.157 3.964 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CC1)CC2=O 587456406 OGSHRMHMDPNMIF-INIZCTEOSA-N 339.229 3.854 50 1 EHGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(F)c(F)c(F)c1 653829476 JMPOAMWCDIRLOV-CQSZACIVSA-N 348.324 3.555 50 1 EHGF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@H]12 2356433289 FHXRMLOJHBNIFY-JOMPHRNESA-N 348.439 3.957 50 1 EHGF O=C(CSc1ccc(Cl)cc1Cl)N/N=C/c1ccc[nH]1 84690030 HIMUJKLDIINECA-REZTVBANSA-N 328.224 3.564 50 1 EHGF Oc1c(Br)ccc2nc(CCCCBr)[nH]c12 586971917 AOMORKZOTIAIHC-UHFFFAOYSA-N 348.038 3.749 50 1 EHGF COc1cc2c3c(c1)O[C@]1(c4ccccc4CC[C@H]1Cl)[C@@H](C2)C3=O 587421598 QFPUPXUOADUHPA-XAUMDUMWSA-N 340.806 3.892 50 1 EHGF Cc1ccc(Oc2ccc(/C=N\NC(=O)c3ccncc3)cc2)cc1 66074336 RPYCSKXTOAOQEP-HMAPJEAMSA-N 331.375 3.946 50 1 EHGF O=C(NNc1c(Cl)cncc1Cl)[C@H]1CCc2ccccc2C1 84668838 QXSYWWAPJZSTGM-LBPRGKRZSA-N 336.222 3.637 50 1 EHGF N=C(CCl)NCCCC(=O)NCc1cccc(-c2ccccc2)c1 1857563860 LDFIAHIZNOGABR-UHFFFAOYSA-N 343.858 3.556 50 1 EHGF CC=C(C)C=CCCC[C@]1(OC)C[C@H](C)[C@@H](CC(=O)OC)OO1 2356698373 SXYZFCRIZKWROR-LZLYRXPVSA-N 326.433 3.942 50 1 EHGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1CC)[C@@]24OO3 43871495 PFGRODFYLAFVPX-NZXMNIOVSA-N 326.433 3.621 50 1 EHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428778 PKZQCYJYLJXFJP-KBXCAEBGSA-N 332.758 3.716 50 1 EHGF C[C@H]1Cc2ccc(F)c(Br)c2C(CCl)(CCl)N1 587688792 OHFFUQSXJFLZJG-ZETCQYMHSA-N 341.051 3.795 50 1 EHGF CC(C)C1=C2[C@@H]3CC=C(C=O)CC(=O)[C@@]3(C)CC[C@@]2(C(=O)O)CC1 2356720967 PDFVQJPCHCWDIY-YSSFQJQWSA-N 330.424 3.708 50 1 EHGF CCC(C=CC(C)=O)=C[C@]1(CC)C[C@H](CC)[C@@H](CC(=O)OC)OO1 2356788997 CTKYMISRICLVAY-YQVWRLOYSA-N 338.444 3.927 50 1 EHGF C/C(=C/CO)CC/C=C(/C=O)CCC[C@H](C)C(=O)/C=C/C(C)(C)O 238753081 IJNXCNLFOIXWSL-AJKKVAPQSA-N 336.472 3.533 50 1 EHGF COc1cccc(N2[C@@H](c3c[nH]c4ccccc34)C(=O)[C@H]2Cl)c1 16958255 CDBNCKGMNLGJJQ-WMZOPIPTSA-N 326.783 3.872 50 1 EHGF CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CCC2)OO3)CC[C@H]1Br 72174832 VSBKCGGDJNPCGU-XOUADPBQSA-N 345.277 3.748 50 1 EHGF COC(C)(C)[C@H](Br)c1nc2c(C)cnc(Cl)c2[nH]1 586970346 DKEOBAYRWDRREN-SECBINFHSA-N 332.629 3.781 50 1 EHGF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC(C=O)=CC(=O)O 2356584872 VKEKGTDLIXNKKE-CVAIRZPRSA-N 332.440 3.954 50 1 EHGF O=C1[C@H](Cl)[C@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 49036752 KFGKOLTXVZTWPM-WBVHZDCISA-N 342.757 3.775 50 1 EHGF CC[C@@H]1OC(=O)CCCC/C=C/C/C=C/[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 169358628 ZUMREQQVIGWVIM-PBZDBKSRSA-N 326.864 3.989 50 1 EHGF O=C(CCCCCCB(O)O)Nc1cccc(Oc2ccccc2)c1 195227623 NRIDZWXPHNUUAD-UHFFFAOYSA-N 341.216 3.841 50 1 EHGF O=C(Cc1ccc(Cl)cc1)NNc1c(Cl)cncc1Cl 84654125 MJCJTADJIGTSHJ-UHFFFAOYSA-N 330.602 3.728 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587188774 VLNMEGYPPMABCJ-IZZDOVSWSA-N 325.274 3.949 50 1 EHGF O=C(Cl)c1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 957584864 QJCFZJBXQGJMTB-UHFFFAOYSA-N 327.727 3.827 50 1 EHGF COc1ccc(C(=O)/C=C/c2ccc(OC[C@H](O)CCl)cc2)cc1 66251756 MNTSIWDTEPHAQO-TUJADDFYSA-N 346.810 3.570 50 1 EHGF COc1ccc(/C=C/C(=O)c2ccc(OC[C@H](O)CCl)cc2)cc1 66252785 YWUKFXCFYGWNNQ-TUJADDFYSA-N 346.810 3.570 50 1 EHGF CCc1ccc([C@@]2(CCl)NCCc3nc4ccccn4c32)s1 962984985 OYAXXCUKHUFEGF-QGZVFWFLSA-N 331.872 3.586 50 1 EHGF CC1(C)C[C@@H]([C@]23C=C[C@@](CO)(CCC2)OO3)CC[C@@H]1Br 169292935 VSBKCGGDJNPCGU-WMHQRMGPSA-N 345.277 3.748 50 1 EHGF COc1ccc(Cl)cc1C#Cc1cncc2nc(CCl)n(C)c12 587911557 LBSCFGXHMRQYKZ-UHFFFAOYSA-N 346.217 3.769 50 1 EHGF O=C(O)CCCCCCC(=O)N/N=C/c1cccc2ccccc12 95809737 OVYXGSHNBMPTET-XSFVSMFZSA-N 326.396 3.715 50 1 EHGF C[C@H](Br)[C@]1(C(C)(C)C)NCCc2c(C(=O)O)cccc21 963124448 QTNGROQGKOJSKR-QFYYESIMSA-N 340.261 3.555 50 1 EHGF N#C/C(=C/c1ccccc1)c1nc2ccnc(Br)c2[nH]1 587187405 GVWGOWORJQNDBY-FLIBITNWSA-N 325.169 3.785 50 1 EHGF O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1sc2ccccc2c1Cl 13109215 HBEJBLJIPRNDCH-APSNUPSMSA-N 349.755 3.820 50 1 EHGF COc1cc(/C=N/NC(=O)Nc2cccc3ccccc23)ccc1O 53276535 SUNLIKLMYFFVJV-UDWIEESQSA-N 335.363 3.710 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(F)cc1)O2 587385765 UXEYMRYAFWZYRC-SFHVURJKSA-N 342.395 3.791 50 1 EHGF C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H](OO)CC[C@]3(C)O[C@H]3C[C@@H]12 2356396988 CSKUUHDAPAWYTK-STEXWYFWSA-N 348.439 3.957 50 1 EHGF CCCCCn1nc(C)c(/C=N\NC(=O)c2cc(C)oc2C)c1C 4838064 XORNPJVYLMTMLP-ODLFYWEKSA-N 330.432 3.664 50 3 EHGF O=C(CCl)Sc1nnc(Cc2ccc(Cl)cc2Cl)o1 82156007 ZNACIFQQPFWHTL-UHFFFAOYSA-N 337.615 3.825 50 1 EHGF O=C(O)c1cc(Br)cc2nc([C@H](Cl)CCl)[nH]c12 587008040 KPQKZYPPZUHUPS-ZCFIWIBFSA-N 337.988 3.542 50 1 EHGF Cc1ccc2c(c1)-c1nc(N)nc([C@H]3CC[C@@H](Br)O3)c1C2 28128528 CNDPNXGEKIICHK-OLZOCXBDSA-N 346.228 3.511 50 1 EHGF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1Br)[C@@H](C2)C3=O 587417220 JZIVEWPFCPXKBL-NORZTCDRSA-N 337.213 3.519 50 1 EHGF C=C1C[C@@](CBr)(c2ccc(C(F)(F)F)cc2)OC1=O 1911579669 GPOQJNFVLLJSTE-GFCCVEGCSA-N 335.119 3.799 50 1 EHGF C/C=C(C)\C=N\NC(=O)CCCCCCC(=O)Nc1ccccc1O 95808884 GKZPHOJLAXCFML-BFCVRXFFSA-N 345.443 3.740 50 1 EHGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1CC)[C@@]24OO3 169371680 PFGRODFYLAFVPX-WMNPTFAHSA-N 326.433 3.621 50 1 EHGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 34020312 DHLDBCMIQKPCPZ-QGZVFWFLSA-N 325.799 3.990 50 1 EHGF CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(=O)C(C)C 40900626 GEGPJWDBUXRLCI-UHFFFAOYSA-N 349.818 3.611 50 1 EHGF COc1ccc(Cl)cc1C#Cc1csc(/C=C(\C#N)C(=O)O)c1 587918712 GFEZLUVRIIYZHG-MDWZMJQESA-N 343.791 3.801 50 1 EHGF N#CC(=C1Nc2ccccc2N1)c1nc(Cl)ncc1Br 40538320 QKFNMSOBQVYUQZ-UHFFFAOYSA-N 348.591 3.622 50 1 EHGF O=C1[C@H](Cl)[C@@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 49036750 KFGKOLTXVZTWPM-NVXWUHKLSA-N 342.757 3.775 50 1 EHGF COC1=C(C=O)C[C@H](O)[C@]2(C)CC(=O)[C@]3(C)CCC(C(C)C)=C3[C@@H]2C1 2356429163 MPDGJYJEWOWKAO-STRKUORWSA-N 346.467 3.589 50 1 EHGF COC(=O)C1=C(C(C)C)NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 58581455 NJVIEDQAAKKZCB-HNNXBMFYSA-N 330.815 3.907 50 1 EHGF CC[C@H]1C[C@@](CC)(C[C@H](C)C[C@@H](CC)C(=O)O)OO[C@H]1CC(=O)O 238731835 CQXMTSDUBPWSJN-KAYRBKQESA-N 344.448 3.884 50 1 EHGF O=C1C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H](c2ccccc2)C1 103294647 SQYPYZUIDTZWHO-QZTJIDSGSA-N 327.811 3.899 50 1 EHGF C[C@@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541303 ASTUUJAXYKCNPO-BLLLJJGKSA-N 339.174 3.916 50 1 EHGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=C[C@@](C)(OO)CC2 2356844990 OAIRBCBTDRDWBP-VIRABCJISA-N 331.250 3.682 50 1 EHGF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1C(=O)C[C@@H]1C(C)=C(C=O)CC[C@H]12 2356333118 NSFZNZUBLBMNLD-YCXYWVQESA-N 346.467 3.877 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)cc1F)O2 587384463 DUZFXIWUFBZGLC-KRWDZBQOSA-N 337.753 3.955 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CC)(CBr)CC2=O 587455618 DXXZIPGZJYQMBR-OAHLLOKOSA-N 327.218 3.854 50 1 EHGF CC[C@@H]1OC(=O)CCCCC=CCC=C[C@@H]2[C@H](O)[C@@H](Cl)C[C@@H]12 2356459048 ZUMREQQVIGWVIM-IWSXDTNSSA-N 326.864 3.989 50 1 EHGF O=C(NN=C/C(Br)=C\c1ccccc1)c1ccc(F)cc1 253677750 DDIIRZQBKNPUTJ-YLCOBTLKSA-N 347.187 3.977 50 1 EHGF Cc1c(C(=O)N/N=C\c2cc(Cl)ccc2O)oc2cccc(O)c12 1911575352 RYAOVFHFAHNODH-UWVJOHFNSA-N 344.754 3.570 50 1 EHGF O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CBr 58592895 BUGYAVJNJWRZPJ-OTBWCIGPSA-N 343.220 3.989 50 1 EHGF Cc1ccc(/C=C(/C#N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587187665 KRUNZMATGZWUTF-ATVHPVEESA-N 346.434 3.876 50 1 EHGF COC(=O)c1cc2[nH]c(/C(C#N)=C\c3ccc(C)cc3)nc2cc1OC 587188441 SWMQTGIYZOUCTN-ZSOIEALJSA-N 347.374 3.731 50 1 EHGF COc1cc2c3c(c1)O[C@](CCl)(Cc1ccccc1F)[C@@H](C2)C3=O 587428242 YGAFOLOVQKRDQA-LIRRHRJNSA-N 346.785 3.802 50 1 EHGF Cc1cc(NC(=O)CCSSCCN(C)C)ccc1Cl 618007777 PPYIBCIMRXOWOB-UHFFFAOYSA-N 332.922 3.920 50 1 EHGF COC(=O)c1ccc(-c2cccc(NC(=O)C(Cl)Cl)c2)cc1 95559406 QBNWBAFFRSRCAU-UHFFFAOYSA-N 338.190 3.882 50 1 EHGF CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4 169371516 JNCYHPJSAHYUHH-CKDIOHLVSA-N 337.460 3.625 50 1 EHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)no1)CC2=O 587461219 REXAECYJQDJPIZ-KRWDZBQOSA-N 335.787 3.741 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CCCl)c1)O2 587377374 WUYWHSMWVMDCHK-LJQANCHMSA-N 345.826 3.945 50 1 EHGF O=C(N/N=C\c1cnc(N2CCCCC2)s1)c1ccc(Cl)cc1 15987517 BXAPMVCILZEKLM-ODLFYWEKSA-N 348.859 3.551 50 1 EHGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 58575041 ZDGXHVBHHYGNPD-KRWDZBQOSA-N 328.387 3.926 50 1 EHGF CC(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541951 DXYXXCSDQDXRPS-MAUKXSAKSA-N 332.783 3.987 50 1 EHGF Cc1cccc([C@@]2(CCCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962892569 GGXGREVFTVVYOV-QFBILLFUSA-N 347.817 3.606 50 1 EHGF CC1(C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H]2O1 195506603 OHTQKTNZQFLKIP-NNYUYHANSA-N 329.473 3.564 50 1 EHGF NC(=O)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 13133586 BNJXNKFPPJGIBR-FCGDIQPGSA-N 348.450 3.513 50 1 EHGF COc1ccc(/C=C/c2cccc(NC(=O)NCCCl)c2)cc1O 28896287 QGHODBABWXJAGH-AATRIKPKSA-N 346.814 3.932 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1csc(C(=O)CCl)c1)O2 587412116 XFMXOFFTJVXUKJ-QGZVFWFLSA-N 349.839 3.941 50 1 EHGF COc1cc(OC)cc(/C(=C/C#N)c2ccc(OC)c(OC)c2)c1 34093309 QNZGJJKAOJFFSP-REZTVBANSA-N 325.364 3.676 50 1 EHGF C#C/C=C\[C@H](Cl)[C@H]1[C@@H]2/C(=C(\Br)CC)O[C@@H]3C[C@H]1O[C@H]23 238765904 AYFFHUILZXJDLN-IVOGFWQGSA-N 343.648 3.602 50 1 EHGF CC(C)[C@@]12C=C3C(=O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 238757546 CFJWRSMUQIAHTA-AXDKOMKPSA-N 348.439 3.672 50 1 EHGF CC(C)(F)[C@H](Br)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587086529 CKCVYHXLGSTQSK-RXMQYKEDSA-N 341.106 3.507 50 1 EHGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C[C@@H](C=O)[C@@H](O)OO1 85491483 PMTMAICXMDKYOW-CKYHOPRGSA-N 334.456 3.805 50 1 EHGF biogenic,in-vitro Cc1nc(C(=O)N/N=C\c2ccccc2)cc2c1[nH]c1ccccc12 103180671 LBAUDXSJYSBFFO-MTJSOVHGSA-N 328.375 3.788 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(/C=C/C=O)c1F)O2 587385060 LLRGEEDDJJCMSG-XXIDSNJLSA-N 339.366 3.809 50 1 EHGF C=C[C@](C)(O)CC[C@@H]1C(=C)[C@H](OO)C[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C 2356687388 OIPBTHJGRDOPMR-ADXOPFBHSA-N 338.488 3.941 50 1 EHGF CN(C)C[C@@H](Br)c1ccc(F)c(Br)c1 169345637 QCLMWTSYFDWRGO-SECBINFHSA-N 325.019 3.586 50 1 EHGF ClC[C@@H](Cl)c1nc2ccc(I)cc2[nH]1 587009276 ZDCCLGLWGSEDOZ-ZCFIWIBFSA-N 340.979 3.686 50 1 EHGF CC1(C)CCC[C@]2(C)[C@@H](CCC(=CC(=O)O)CO)C(C=O)=CC[C@H]12 2356549974 NYVSMUINRJWNRV-SQGPQFPESA-N 334.456 3.748 50 1 EHGF COc1cc(/C=C(\C#N)c2cccnc2)cc(Br)c1O 40843608 XNOGVGBAONEMEG-LFYBBSHMSA-N 331.169 3.622 50 1 EHGF C#C/C=C\C[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](/C=C\[C@@H](Cl)CC)O1 59151542 VFEVOEOMQSLWCB-PUQYQDOXSA-N 345.266 3.836 50 1 EHGF CCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103197505 CBDFWIKOPAPNRI-PTSCKYERSA-N 338.444 3.955 50 1 EHGF CC1(C)[C@@H]2C[C@@H]3O[C@]3(C)[C@]13C[C@H](Br)[C@@](C)(Cl)C[C@H]3O2 169654089 FRPLQWPAMFUPFL-UENJMYAUSA-N 349.696 3.882 50 1 EHGF C#C/C=C\C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl 44431050 VRGYZGMXCGNRKB-DFGSKXRTSA-N 347.680 3.662 50 1 EHGF Oc1ccc2c(c1)[C@](CCl)(c1c[nH]c3ccc(F)cc13)NCC2 963351698 IDUUSKKRVKITEI-GOSISDBHSA-N 330.790 3.641 50 1 EHGF CC1=C(C#N)[C@@H](c2cc3c(C)n[nH]c3cc2F)C(C#N)=C(C(F)F)N1 68250982 UYZFYANYSIVDGM-OAHLLOKOSA-N 343.312 3.538 50 1 EHGF C[C@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541304 ASTUUJAXYKCNPO-LRDDRELGSA-N 339.174 3.916 50 1 EHGF C=C1C(=O)O[C@@H]2CC(C)=CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@@H]12 2356433292 FHXRMLOJHBNIFY-VYMYIBDJSA-N 348.439 3.957 50 1 EHGF C=C1CC[C@H](O)[C@](C)(O)CCC(=C(C)C)C=C[C@@]2(C)CC[C@H]1OO2 2356792697 KBQFIKUPYYZZMY-FUMNGEBKSA-N 336.472 3.990 50 1 EHGF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@@H](O)/C(C=O)=C/C(=O)O 238775159 VDNDZFKNZXBUAT-POCUSHPMSA-N 334.456 3.746 50 1 EHGF Cc1ccnc2c1CCN[C@@]2(c1ccccc1F)[C@@H](C)Br 963072650 MTJVXQRPYAHZDW-SJKOYZFVSA-N 349.247 3.702 50 1 EHGF ClCc1cccc(Cn2cnc3c(Cl)nc(Cl)nc32)c1 103284771 KTYYLJQCFXBJMC-UHFFFAOYSA-N 327.602 3.920 50 1 EHGF COc1ccccc1N1[C@H](Cl)C(=O)[C@H]1c1c[nH]c2ccccc12 105508251 XRJPTXAXTKITJS-AEFFLSMTSA-N 326.783 3.872 50 1 EHGF O=C(COc1c(Cl)cccc1Cl)Oc1ccc([N+](=O)[O-])cc1 332928 YGVZCUGTPCFIJD-UHFFFAOYSA-N 342.134 3.886 50 1 EHGF CC(C)(c1cccnc1)[C@@H](I)c1cccnc1 29548845 BPACVLBDZBTCAO-ZDUSSCGKSA-N 338.192 3.931 50 1 EHGF in-vivo NNC(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153474 RYZVBJZVUMVEHV-UHFFFAOYSA-N 346.365 3.640 50 1 EHGF CC(C)(C)c1[nH]c2cc(F)ccc2c1NC(=O)CBr 587632021 ARNFUUANBKQOGL-UHFFFAOYSA-N 327.197 3.938 50 1 EHGF CCO[C@@H]1C[C@@]2(c3cccc(Br)c3CCN2C)[C@H]1Cl 963288512 CNKPYVIPOYQYJO-QLFBSQMISA-N 344.680 3.549 50 1 EHGF C/C(=N/NC(N)=O)c1ccccc1Oc1ccc(Br)cc1 27315871 HPXYODMTPOVVBL-ZDLGFXPLSA-N 348.200 3.634 50 1 EHGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@@]1(O)C=CC(C)(C)OO1 166782065 ZGZLJOCYAMDSLT-WKSOIMLMSA-N 334.456 3.902 50 1 EHGF COc1cc(CC(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C 195809944 PPAQHWGGSXMRBE-UHFFFAOYSA-N 326.541 3.830 50 1 EHGF CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587087667 SNTVLJFMRAKSPX-LBPRGKRZSA-N 340.196 3.632 50 1 EHGF CC(C)CC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 102164817 CWKYOGKBSDJJRH-SSGRTQLWSA-N 338.444 3.811 50 1 EHGF O=[N+]([O-])c1ccccc1SSc1n[nH]c(-c2cccnc2)n1 103208512 LPQRUEJFXZVUQV-UHFFFAOYSA-N 331.382 3.574 50 1 EHGF CC(=CCO)CCC=C(C=O)CCC[C@H](C)C(=O)C=CC(C)(C)O 2356688660 IJNXCNLFOIXWSL-KRWDZBQOSA-N 336.472 3.533 50 1 EHGF CC(C)(C)c1cc(C(C)(C)C)c(SS(=O)(=O)O)c(O)c1O 1657719 UJTHISUTLHLMDB-UHFFFAOYSA-N 334.459 3.588 50 1 EHGF CN1Cc2c(NC(=O)CCCl)cccc2[C@H](c2ccccc2)C1 28220905 BQSUMVDBRVXSKJ-INIZCTEOSA-N 328.843 3.831 50 1 EHGF COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccc(F)cc1)[C@@H](C2)C3=O 587427927 KBAXUSWNYNBMKI-HNAYVOBHSA-N 346.785 3.802 50 1 EHGF COc1ccc([C@@H]2OC(N)=C(C#N)C3=C2CCC[C@@H]3C)cc1OC 1652468 DHOQBHRVLACOAQ-VOJFVSQTSA-N 326.396 3.586 50 1 EHGF CCOC(=O)c1c([C@H](C)Br)[nH]c2cccc([N+](=O)[O-])c12 587644371 WPQUNNJTKNYSGC-ZETCQYMHSA-N 341.161 3.709 50 1 EHGF CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@@H]1O[C@H]1CC 2356586504 CFXNHQNIKKFEDQ-KWFCSAJOSA-N 340.460 3.959 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49678945 YMLCGFSWAZSMHU-VXKCIIDGSA-N 333.428 3.938 50 1 EHGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](OCc1ccccc1)[C@H]2Br 299815290 NLGHJXPXSDXPOH-FAYQHZLMSA-N 337.257 3.970 50 1 EHGF CC(C)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541950 DXYXXCSDQDXRPS-CRAIPNDOSA-N 332.783 3.987 50 1 EHGF Cc1cc2c(cc1C)[C@@]1(NCCc3ccc(F)c(C)c31)C(C=O)=CO2 962299503 OEUJLSCOOBFLJR-NRFANRHFSA-N 337.394 3.615 50 1 EHGF CCCCC[C@H](/C=C/[C@H](O)[C@H](O)CCCCCCCC(=O)O)OO 102183599 OMGHMRGMXCUWQA-ZVWIDNOQSA-N 346.464 3.518 50 1 EHGF CCCCc1ccc(N2N=C3COC(C)(C)C=C3C(C#N)=C2N)cc1 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Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1)O2 587376372 XFJNVGWIVVEUAF-KRWDZBQOSA-N 346.224 3.833 50 1 EHGF CCc1ccc([C@]2(CCl)NCCc3nc4ccccn4c32)s1 962984981 OYAXXCUKHUFEGF-KRWDZBQOSA-N 331.872 3.586 50 1 EHGF CC1=C(C#N)[C@H](c2cc3c(C)n[nH]c3cc2F)C(C#N)=C(C(F)F)N1 68250985 UYZFYANYSIVDGM-HNNXBMFYSA-N 343.312 3.538 50 1 EHGF N[C@H](CCl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587010325 IUOMMICHNMDHSA-ZCFIWIBFSA-N 342.546 3.583 50 1 EHGF CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C=O)=CC(=O)O 2356842651 MWUYQZXDULUQDW-ISHJAKKSSA-N 332.440 3.954 50 1 EHGF N#C/C(=C\c1ccc(Br)cc1)n1nnc2ccccc21 6584427 PMADLRCCOUMQFG-UKTHLTGXSA-N 325.169 3.715 50 1 EHGF CC1=CCOO[C@H]1C[C@@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(C)=CC(=O)C[C@@H]21 238785091 MVOYPAYCWDDLED-QIXFSGBHSA-N 334.456 3.602 50 1 EHGF CC[C@@H](Cl)[C@@H]1O[C@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)C[C@H]1CC 38823064 PJQQQQYLMUGREM-YQCZTZEVSA-N 348.911 3.918 50 1 EHGF COc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)cc1CCl 962915026 SXYCXLXBSAKFCI-LJQANCHMSA-N 347.890 3.700 50 1 EHGF C[C@@H]1C(=O)C(C#N)=C[C@]2(C)c3nc(Nc4ccccc4)ncc3CC[C@@H]12 1857591068 GCEDEJOSHGSBCW-GTXQTCRKSA-N 344.418 3.709 50 1 EHGF CC#CC#Cc1ccc(C#C[C@@H](Cl)COC(=O)[C@@H](C)CC)s1 2356518088 FENHLPQAMQSGQO-LSDHHAIUSA-N 332.852 3.671 50 1 EHGF Fc1ccc([C@]2(CCl)c3ccc(F)cc3C[C@@H]3CCCN32)nc1 963105197 MTTNWOBLLIFXOI-YJBOKZPZSA-N 334.797 3.863 50 1 EHGF C=C1CC[C@@H](OO)C(=C)CC[C@@H]2C(=CC=CC(C)(C)O)COC(=O)[C@H]12 2356664346 RBMLFMIIGOFFQM-KZNAEPCWSA-N 348.439 3.574 50 1 EHGF C[Si](C)(C)Oc1ccc([C@H]2NCCc3nc4ccccn4c32)cc1 962988284 XUPWDFNVHGVIMU-GOSISDBHSA-N 337.499 3.783 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1CCBr)O2 587371401 DIOAXIHSDSREOI-ZBEGNZNMSA-N 338.245 3.866 50 1 EHGF C[C@@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541305 ASTUUJAXYKCNPO-MLGOLLRUSA-N 339.174 3.916 50 1 EHGF Cc1ccc([C@]2(CBr)NCCc3ccc(F)c(C)c32)o1 962302496 SXXUNYIGOIEVTP-INIZCTEOSA-N 338.220 3.820 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169340419 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KXVNAPGAOAYZOS-NSHDSACASA-N 331.185 3.764 50 1 EHGF CC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689732 VIHQECIHRMKUHZ-ISEFBEROSA-N 348.643 3.534 50 1 EHGF C[C@@]1(c2cccc3nc(CCl)oc23)NCCc2ccc(O)cc21 963327890 BFIRNTZDKGUWNK-SFHVURJKSA-N 328.799 3.681 50 1 EHGF CCOC(=O)[C@@H](Cl)[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962666564 KPQAZKBNQFJPTM-UYAOXDASSA-N 343.854 3.885 50 1 EHGF O=C1OC(=O)c2cc(C(=O)c3coc4ccc(Cl)cc34)ccc21 587279122 WQWXXPUGKKVVME-UHFFFAOYSA-N 326.691 3.628 50 1 EHGF C#C/C=C\C[C@H]1O/C(=C(/Br)CC)[C@H](O)C=CC[C@H]1Cl 34075183 XYUJUEHWMGNBRZ-PMFCYOMZSA-N 345.664 3.896 50 1 EHGF C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1[C@H]1C=C(C=O)C[C@@H](O)OO1 238788997 FTQNGEYQJGYGFY-AISVETHESA-N 334.456 3.949 50 1 EHGF CC(C)(C)[Si](C)(C)O[C@@]12C#CC=CC#C[C@@H](F)C(=CCC1)C2=O 253780928 NICRBWNWTXEOFK-APWZRJJASA-N 330.475 3.951 50 1 EHGF COc1ccc2c(c1)[C@](C)(CCBr)N(C(C)C)CC2 962087138 FDKSTARZTIQVNZ-INIZCTEOSA-N 326.278 3.962 50 1 EHGF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1Br)CC2=O 587461745 YMPQCNIGGKTGPY-GDBMZVCRSA-N 339.229 3.996 50 1 EHGF CC(C)CC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 253643403 CWKYOGKBSDJJRH-UVIUQQSNSA-N 338.444 3.811 50 1 EHGF CC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689731 VIHQECIHRMKUHZ-HNWMMTHTSA-N 348.643 3.534 50 1 EHGF C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3[C@@H](OC)C1)CCN2C 14415779 SILDJCOKNNOTCC-RLWVPSLYSA-N 338.451 3.871 50 1 EHGF C#C/C=C/C[C@H]1O/C(=C(/Br)CC)[C@H](O)C=CC[C@H]1Cl 238738774 XYUJUEHWMGNBRZ-OQWVMARCSA-N 345.664 3.896 50 1 EHGF COC1=C(C=O)C[C@H](O)[C@]2(C)CC(=O)[C@]3(C)CCC(C(C)C)=C3[C@H]2C1 2356429164 MPDGJYJEWOWKAO-YDPGBSGYSA-N 346.467 3.589 50 1 EHGF C=C1CCC=C(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@]1(O)C=C[C@@](C)(CO)OO1 2356484959 NPMACKFPVVMSDC-SWBPCFCJSA-N 334.456 3.663 50 1 EHGF C[C@H](Br)c1nc2c(Cl)c(Br)cnc2[nH]1 587007539 AGNJVFQJUXJDEH-VKHMYHEASA-N 339.418 3.830 50 1 EHGF CC(C)(F)[C@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587087055 LKQZFDYAXOFTKX-SECBINFHSA-N 333.132 3.584 50 1 EHGF CCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372178 CBDFWIKOPAPNRI-BYLAAXHHSA-N 338.444 3.955 50 1 EHGF CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](OCc1ccccc1)[C@H]2Br 299815291 NLGHJXPXSDXPOH-QEWYBTABSA-N 337.257 3.970 50 1 EHGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)Cl)[C@@H](C2)C3=O 587419284 XPWHYFVNAAWMSS-LLJZQGTPSA-N 328.795 3.965 50 1 EHGF Cc1ccc(S(=O)(=O)/N=C(/CCCCCl)N2CCCC2)cc1 45353734 BAJVYODTNRZUGE-VLGSPTGOSA-N 342.892 3.587 50 1 EHGF C1C[C@H]2C[C@H]3SS[C@@H]4[C@H](CN5CCC[C@H]45)SS[C@@H]3N2C1 2356781897 JSMGJTNAIKSKKD-KTEZLCCFSA-N 346.612 3.541 50 1 EHGF CC[C@@H]1OC(=O)CCCC/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O 32303225 ZUMREQQVIGWVIM-ZZIRVTTQSA-N 326.864 3.989 50 1 EHGF O=C(O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 72116178 UQJCLZIJKYZSQC-UHFFFAOYSA-N 336.428 3.521 50 1 EHGF CC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H]2O1 195506605 OHTQKTNZQFLKIP-WRWGMCAJSA-N 329.473 3.564 50 1 EHGF N#C/C(=C\c1ccccc1)c1nc2ccnc(Br)c2[nH]1 587187404 GVWGOWORJQNDBY-DHZHZOJOSA-N 325.169 3.785 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1nc3ccccc3[nH]1)O2 587370572 AHIKEPJQHBZGMM-SFHVURJKSA-N 341.798 3.553 50 1 EHGF Cc1ccc([C@@]2(CBr)NCCc3ccc(F)c(C)c32)o1 962302500 SXXUNYIGOIEVTP-MRXNPFEDSA-N 338.220 3.820 50 1 EHGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)ccc21 586906710 GPINVTJZRASGJZ-UHFFFAOYSA-N 333.130 3.847 50 1 EHGF CCOC(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587087901 YLCBFCKMVSUPOY-LLVKDONJSA-N 343.196 3.924 50 1 EHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(F)F)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169340422 MCALLTKYCRBDHT-PSRMTNDOSA-N 332.387 3.892 50 1 EHGF COc1c(Cl)c(O)c2c(c1C(C)=O)OC(C)(C)[C@H](OC)[C@@H]2Cl 1857638068 DYFJTHKGNCSRJG-YMTOWFKASA-N 349.210 3.723 50 1 EHGF CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1cccc(C)c1 1772635326 GYQUKRQKRZQEBM-NPJZFRQBSA-N 332.403 3.501 50 1 EHGF COc1ccc(/C(Cl)=C(\C=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1617205 WBCMAZSOQPPOQZ-VKAVYKQESA-N 347.754 3.918 50 1 EHGF CC(=O)C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409112 XTFZBFDHCWOJEB-OAHLLOKOSA-N 327.336 3.653 50 1 EHGF CN(C)CCN(C)C1=Nc2ccccc2/C(=C/C#N)c2ccccc21 53098521 CKYWATYVHXBCBU-SFQUDFHCSA-N 330.435 3.527 50 1 EHGF C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](Cl)C[C@@]21C 82095034 ZXDSOARXHQXAPP-HSXTZPDUSA-N 332.871 3.710 50 1 EHGF COc1ccc(C[C@@H](C#N)C(C#N)=Cc2ccc(OC)c(O)c2)cc1 2356477095 OSJAZSFVURTOLX-INIZCTEOSA-N 334.375 3.699 50 1 EHGF C=C1C[C@@H](O)[C@H]2O[C@H]3C[C@@](C)(Cl)[C@@H](Br)C[C@@]13C2(C)C 238758602 CVIAYTVVVURFBO-ZLSAFIHNSA-N 349.696 3.642 50 1 EHGF CN1C(=O)C[C@H]2CN[C@@H](c3ccccc3CCl)c3cccc1c32 963022186 IDLLUDZXXXXXAW-DJJJIMSYSA-N 326.827 3.568 50 1 EHGF C[C@H](Br)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587008788 OJHDMILGYCWJQZ-BYPYZUCNSA-N 348.982 3.690 50 1 EHGF CC[C@]1(CCCBr)CC(=O)c2cc(C)cc(N)c2O1 587375604 UOGHNATVDQKTPK-HNNXBMFYSA-N 326.234 3.866 50 1 EHGF C=C[C@](C)(O)CC[C@@H]1C(=C)[C@H](OO)C[C@@H]2C(C)(C)C[C@@H](O)C[C@]12C 2356687390 OIPBTHJGRDOPMR-QHLWVNNFSA-N 338.488 3.941 50 1 EHGF CC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C)[C@@H]1c1ccccc1 196165791 JEBQZDUVSXAILJ-UONOGXRCSA-N 335.476 3.725 50 1 EHGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cnc2ccccc2c1 13586216 RBOAFXIUZYLSHU-FQEVSTJZSA-N 342.402 3.519 50 1 EHGF CCN(CC)c1ncnc2c1cnn2C[C@H](Cl)c1ccccc1 40899247 SRFZLXIQIPPTRA-HNNXBMFYSA-N 329.835 3.653 50 1 EHGF COc1ccc(C[C@H](C#N)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1 34033035 OSJAZSFVURTOLX-FCNRDGCESA-N 334.375 3.699 50 1 EHGF in-vitro O=C(NNc1c(Cl)cncc1Cl)C12C[C@@H]3CC1C[C@@H](C3)C2 84738953 RPWPUDLIMQXHAI-BZJXFRBESA-N 326.227 3.658 50 1 EHGF CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 101894834 SEKJKOCIXZWYFI-SSGRTQLWSA-N 338.444 3.955 50 1 EHGF CC(C)(C)c1[nH]c2cccc(F)c2c1NC(=O)CBr 587632251 HXZBDCPGXUNIKH-UHFFFAOYSA-N 327.197 3.938 50 1 EHGF COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccncc3)sc2c1 33304817 SOVQDOMOSMBTOR-OCKHKDLRSA-N 345.811 3.722 50 1 EHGF CCCCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 44264762 JNCYHPJSAHYUHH-DKINFNGSSA-N 337.460 3.625 50 1 EHGF C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@]1(C)CCC(=CC(=O)O)CO 2356580813 AVRIRMRRWLLLDT-IXMYUCAJSA-N 334.456 3.748 50 1 EHGF CC1(C)C(=O)C=C[C@@](C)(O)[C@@]12CC[C@](C)(Cl)[C@H](Br)C2 2356788088 BWEBMEQXFRBPSI-AQNFWKISSA-N 349.696 3.834 50 1 EHGF CCCc1c(O)ccc2c1O[C@H](CCCBr)CC2=O 587456533 QGKLBHNFSBTFBG-SNVBAGLBSA-N 327.218 3.854 50 1 EHGF CC(C)[C@@]12C=C3C(=O)C[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@]3(CC1)OO2 2356536796 CFJWRSMUQIAHTA-XZEJUNMKSA-N 348.439 3.672 50 1 EHGF CC(=O)C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409109 XTFZBFDHCWOJEB-HNNXBMFYSA-N 327.336 3.653 50 1 EHGF C#C/C=C\C[C@@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@@H](CBr)[C@@H](CC)O1 139906494 WWXDSNUMWFIGFH-IRCIXOLMSA-N 347.680 3.519 50 1 EHGF CC(=O)Nc1ccc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)cc1 103288227 YFDGRYHMFNNHAA-SEIPJRMCSA-N 336.863 3.813 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CCl)c1)O2 587372961 CDGVAKDMRALHDZ-GOSISDBHSA-N 331.799 3.902 50 1 EHGF CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1ccccc1 1857569529 XIOTYXFQWOQXIT-DORSJAEJSA-N 329.831 3.989 50 1 EHGF COc1ccc(C(=O)N(NC(=O)Oc2ccccc2)C(C)(C)C)cc1 1016431 BHIWEZVNAJWLGQ-UHFFFAOYSA-N 342.395 3.640 50 3 EHGF CC(C=O)=CCC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3 2356557227 GDLZVHXDIRSIJQ-JPCHKZQCSA-N 344.451 3.651 50 1 EHGF CCOc1ccccc1CNC(=O)C[C@]1(C)CC2(CCCCC2)OO1 49710809 YYQFCQMYJKFEBT-LJQANCHMSA-N 347.455 3.905 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1CCBr)O2 587371398 DIOAXIHSDSREOI-BDJLRTHQSA-N 338.245 3.866 50 1 EHGF COc1c(OC)c(N(C)C)c2c(c1SSC)C(=O)SCC2 14676794 BAKJMSAZZKUWJW-UHFFFAOYSA-N 345.511 3.569 50 1 EHGF biogenic COCc1ccc([C@@]23CC[C@H]4CCCC[C@@]4(OO2)[C@@H](OC)O3)cc1 101377279 LYDVQBGYZQEHDA-XGXHKWSGSA-N 334.412 3.660 50 1 EHGF COc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587381929 NMDHXUYMSVTIHN-GOSISDBHSA-N 349.789 3.824 50 1 EHGF CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CC/C(C=O)=C/CC[C@@]1(C)O[C@@H]1C2 473154412 HFYSQTZIFVBRTC-GAYXFKQASA-N 336.472 3.558 50 1 EHGF CCCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br 587010085 FWLVDYXUQWETSY-SECBINFHSA-N 346.656 3.743 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(F)c(F)c1)O2 587382972 WGWDRKVKZAQGJQ-KRWDZBQOSA-N 337.753 3.955 50 1 EHGF CC1(C)Oc2c(c(O)nc3ccccc23)[C@@H]2[C@H](Cl)[C@@](C)(O)CC[C@H]21 2356871943 YMYIMKIYRMUBDY-UXIIHAMLSA-N 347.842 3.963 50 1 EHGF Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 72175012 WXZKPYVSYLUADN-UDWIEESQSA-N 349.346 3.927 50 1 EHGF Fc1cc(Br)cc2nc(/C=C/CBr)[nH]c12 586972757 BBRVVYRRAGZJPD-OWOJBTEDSA-N 333.986 3.873 50 1 EHGF CCNCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 49803106 JIHJQOAOKJGMND-UHFFFAOYSA-N 349.458 3.712 50 1 EHGF O=C(COc1ccc2ccccc2c1)NNCc1c[nH]c2ccccc12 1857601144 VBPUBJGAZMAEET-UHFFFAOYSA-N 345.402 3.521 50 1 EHGF CC(C)C1=C2[C@@H]3CC=C(C=O)CC(=O)[C@@]3(C)CC[C@]2(C(=O)O)CC1 25595 PDFVQJPCHCWDIY-RYGJVYDSSA-N 330.424 3.708 50 1 EHGF biogenic CCCc1c(O)ccc2c1O[C@@H](CCCBr)CC2=O 587456532 QGKLBHNFSBTFBG-JTQLQIEISA-N 327.218 3.854 50 1 EHGF Cc1ccnc2c1CCN[C@]2(c1ccccc1F)[C@@H](C)Br 963072625 MTJVXQRPYAHZDW-PXAZEXFGSA-N 349.247 3.702 50 1 EHGF Cc1ccc(Sc2c(C(=O)NN)[nH]c3ccc(Cl)cc23)cc1 3654288 CIELWHDQEUIXME-UHFFFAOYSA-N 331.828 3.884 50 1 EHGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccccc1)[C@@H](C2)C3=O 587418652 ALHFEUSHVLYIET-HNAYVOBHSA-N 328.795 3.967 50 1 EHGF O=[N+]([O-])c1ccc(N/N=C(\CCl)c2ccccc2)c([N+](=O)[O-])c1 5125007 HNLCJXKVYWWDTN-GHRIWEEISA-N 334.719 3.558 50 1 EHGF investigational C=C1C(=O)O[C@H]2CC(C)=CCCC(=C)[C@H](OO)CC[C@@]3(C)O[C@H]3C[C@@H]12 2356396987 CSKUUHDAPAWYTK-MUPNANLLSA-N 348.439 3.957 50 1 EHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2Cl 587543423 CDPALHOJKPPRHN-RLFYNMQTSA-N 330.767 3.884 50 1 EHGF C[C@@H](Br)[C@@]1(C(C)(C)C)NCCc2c(C(=O)O)cccc21 963124449 QTNGROQGKOJSKR-QLJPJBMISA-N 340.261 3.555 50 1 EHGF O=C1[C@@H](Cl)[C@H](c2ccc(F)cc2)N1c1ccc(O)c2ncccc12 49036748 KFGKOLTXVZTWPM-RDJZCZTQSA-N 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3.989 50 1 EHGF O=C(NNc1c(Cl)cncc1Cl)C12C[C@@H]3CC1C[C@H](C3)C2 101511499 RPWPUDLIMQXHAI-GPVDEOGHSA-N 326.227 3.658 50 1 EHGF CC[C@@]1(CCCl)SC(N2c3ccccc3OC[C@H]2C)=NC1=O 103184076 LCCXIQFBHLLBCZ-BZNIZROVSA-N 338.860 3.681 50 1 EHGF Cc1cc(C)c(-c2ccc3c(O)nc(O)nc3n2)c(C)c1CCl 587368589 MQJBFIMIJMVUBV-UHFFFAOYSA-N 329.787 3.767 50 1 EHGF CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)[C@@H](C)CC)s1 2356518086 FENHLPQAMQSGQO-GJZGRUSLSA-N 332.852 3.671 50 1 EHGF CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43307964 SEKJKOCIXZWYFI-MDBUGZKMSA-N 338.444 3.955 50 1 EHGF O=C(Cc1nsc2ccccc12)N/N=C/c1c(F)cccc1Cl 1857655709 VHLDMCXHCZAKEY-DJKKODMXSA-N 347.802 3.782 50 1 EHGF C#CC=CC[C@@H]1OC(=C(Br)CC)[C@H](O)C=CC[C@@H]1Cl 2356570148 XYUJUEHWMGNBRZ-MJBXVCDLSA-N 345.664 3.896 50 1 EHGF Clc1ccccc1[C@H]1OCCc2c1noc2CBr 103187057 LFIRIMSXXBPYTC-CYBMUJFWSA-N 328.593 3.885 50 1 EHGF CC(C)C1=CC(=O)[C@@]2(C)C(=O)C[C@@]3(C)C=C[C@@](C)(OO)CC[C@@H]3[C@@H]12 166576860 CPODEQZHKQZZTP-SBUWESJJSA-N 332.440 3.968 50 1 EHGF CC(C)[C@]12C=C3C(=O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]3(CC1)OO2 238782102 CFJWRSMUQIAHTA-ZMHJYQQXSA-N 348.439 3.672 50 1 EHGF COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1 5884513 YLKGWEIAFBGITF-UHFFFAOYSA-N 343.858 3.979 50 1 EHGF O=C1OC(=O)c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)ccc21 586907697 NXKPBPLTOYYQOI-UHFFFAOYSA-N 332.237 3.559 50 1 EHGF O=C(N/N=C\C(Br)=C/c1ccccc1)c1cccs1 33285618 XZRHAUPXEHCGFW-QLBXNTAJSA-N 335.226 3.900 50 1 EHGF CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCCO3 587087123 LZMZCQIKJORNBP-LBPRGKRZSA-N 343.196 3.908 50 1 EHGF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC(C=O)=CC(=O)O 2356584874 VKEKGTDLIXNKKE-XFQXTVEOSA-N 332.440 3.954 50 1 EHGF CN1CCC(/N=C2\Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 40375410 YQVJIEVWXURZEH-VCHYOVAHSA-N 342.446 3.908 50 1 EHGF ClC[C@H](Cl)c1nc2cccc(I)c2[nH]1 587008236 MHRRIWLASULLRH-YFKPBYRVSA-N 340.979 3.686 50 1 EHGF CCCC[C@@H](/C=N/NC(=O)SC(C)C)NC(=O)OC(C)(C)C 28570794 KZSQKJYLDIHGNF-SEJMYLSOSA-N 331.482 3.907 50 1 EHGF CCCc1c(O)ccc2c1O[C@](CCl)(C(C)(C)OC)CC2=O 587459842 PZEJHUDYUVDANX-QGZVFWFLSA-N 326.820 3.713 50 1 EHGF CC[C@@H]1C[C@](C)(C[C@@H](CC)[C@H]2O[C@@H]2CC)OO[C@@H]1CC(=O)OC 43532585 KPVMKCWUJNQQCI-YQCZTZEVSA-N 328.449 3.649 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC[C@@H]1Cl 587380096 AGTROOJVPWTOPF-PKOBYXMFSA-N 327.811 3.992 50 1 EHGF ClCc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1 103286641 USHSCIQUGJAAGH-UHFFFAOYSA-N 327.602 3.920 50 1 EHGF O=C(CCl)Nc1cc2n(c1C(=O)Nc1ccccc1)CCCCC2 1857552823 HIROYIQHSDVTJS-UHFFFAOYSA-N 345.830 3.644 50 1 EHGF O=C(CCl)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644425 CDRQWUCEDWDWQQ-UHFFFAOYSA-N 329.743 3.920 50 1 EHGF O=C(CCc1ccc(F)cc1)NNc1c(Cl)cncc1Cl 84654049 OPJYGLHTRLBCBL-UHFFFAOYSA-N 328.174 3.603 50 1 EHGF CC(C)(F)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587086501 BJFLFNANBAPBEU-VIFPVBQESA-N 334.120 3.794 50 1 EHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H](CBr)[C@H](CC)O1 2356450511 WWXDSNUMWFIGFH-HCDMYHGNSA-N 347.680 3.519 50 1 EHGF COc1ccc2nc3ccc(OC)cc3c([S@@](=O)CCCl)c2c1 5854531 TVXICGOWQNPSDL-HSZRJFAPSA-N 349.839 3.752 50 1 EHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(COc1ccccc1)O2 587373021 PBARTFNXUCJWHP-SFHVURJKSA-N 331.799 3.599 50 1 EHGF CCC(=C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)OC)OO1)[C@@H]1O[C@@H]1CC 2356586506 CFXNHQNIKKFEDQ-SWOJGRPISA-N 340.460 3.959 50 1 EHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl 2356389452 VRGYZGMXCGNRKB-RODWMJHOSA-N 347.680 3.662 50 1 EHGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4CC[C@H]1Cl)[C@@H](C2)C3=O 587421596 QFPUPXUOADUHPA-VPWXQRGCSA-N 340.806 3.892 50 1 EHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@H](CC)O2)C[C@H]1Cl 2356557579 UEYIDOJUVGQGFO-IWTMDLJTSA-N 347.680 3.662 50 1 EHGF O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CBr 64372902 BUGYAVJNJWRZPJ-RDHHWEPZSA-N 343.220 3.989 50 1 EHGF CCC(=O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103105437 TUWSSTDVRLSNAL-DYOKVAOLSA-N 338.444 3.606 50 1 EHGF