smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 767207 WRPNCWWPTPXIGW-IGUJJWBZSA-N 418.468 4.804 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OCC 4206757 BNMXBFDLCRUYBO-TZIWHRDSSA-N 400.906 4.747 0 1 HJAF CC(C)(C)Oc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528602 XTCVYOHPHOELRF-UHFFFAOYSA-N 416.470 4.694 0 1 HJAF c1ccc(C(CCc2nc(CCNCCc3cccnc3)c[nH]2)c2ccccc2)cc1 13530327 BYIKGUJPJAOQIC-UHFFFAOYSA-N 410.565 4.944 0 1 HJAF CCC(=O)[C@@H]1[C@@H](c2ccc(/C=C(\C)I)cc2)C[C@@H]2CC[C@H]1N2 27984729 FMZWUJWDVRSFBN-VATKAKJBSA-N 409.311 4.686 0 1 HJAF O=C(c1ccc(Cl)cc1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CCCCCC2 28125557 LBMFVAUELNZMKE-UHFFFAOYSA-N 417.914 4.889 0 1 HJAF Nc1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc1NC(=O)c1cccnc1 29127054 FNINCTYSXKYBEW-UHFFFAOYSA-N 423.472 4.940 0 1 HJAF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2)n1 82133268 PIDJGKDXNGQCJP-UHFFFAOYSA-N 408.933 4.819 0 1 HJAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(OC)c2)cs1 82195359 LQZBDJNXDMBXFW-KRWDZBQOSA-N 407.605 4.659 0 1 HJAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 103291310 UKLKAWSYHGKBII-UHFFFAOYSA-N 415.415 4.631 0 1 HJAF C[C@H](CCc1ccccc1)NC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103897751 IDDZMUJGOPKBGR-QGZVFWFLSA-N 416.550 4.953 0 1 HJAF FC(F)(F)c1ncccc1-c1nccnc1C1CN(c2ccc3ccccc3n2)C1 140124919 JCASPQGMRICVPW-UHFFFAOYSA-N 407.399 4.709 0 1 HJAF C[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c2n1CCCC2 146125839 HFMBTWKXFDPKEG-JKSUJKDBSA-N 413.949 4.593 0 1 HJAF CC1(C)OC(=O)N(c2ccc(C(=O)Nc3cnccc3O)cc2)[C@H]1c1ccccc1 147540281 BDLKJQVEJOWDFJ-FQEVSTJZSA-N 403.438 4.516 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 167119784 YYSWFDUHMSXIJH-IBGZPJMESA-N 408.523 4.999 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 586881472 XBWGHNOFHQXXPI-UHFFFAOYSA-N 404.491 4.893 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4cc(F)c(F)cc4[nH]3)cc2cc1Br 586998790 OOAOYCULBHHPKE-UHFFFAOYSA-N 421.197 4.776 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)cc(F)c2[nH]1 587002412 ZWINMVUWEBJWNF-ZDUSSCGKSA-N 407.674 4.842 0 1 HJAF Clc1cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1Cl 587003227 REWHQZWGIGCNIF-UHFFFAOYSA-N 411.090 4.620 0 1 HJAF Fc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1-n1cccn1 587012258 HSDDIRMWYURNFI-UHFFFAOYSA-N 404.268 4.651 0 1 HJAF Cc1onc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1COc1ccccc1Cl 587062772 AEKJSTSPLRMVPE-UHFFFAOYSA-N 401.781 4.596 0 1 HJAF CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1OC(F)F 587130774 PZZTZLQWXBFUGR-FNORWQNLSA-N 402.397 4.895 0 1 HJAF Fc1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 587169052 RJQPLRWJYCLTTH-UHFFFAOYSA-N 400.045 4.806 0 1 HJAF Cn1ccnc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343099 RPLJTOAKCRFBIZ-YOJAFSQSSA-N 406.457 4.720 0 1 HJAF O=C1C[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1 587497708 GAFOQYYQLKVJQI-MGPUTAFESA-N 421.440 4.611 0 1 HJAF Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587557465 RXUOZNVVLZKVCN-BLLLJJGKSA-N 424.762 4.501 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2ccccc2)CC1 587583083 QBNAVPZPYSTFKS-ZEQKJWHPSA-N 415.489 4.635 0 1 HJAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587720188 MWDZQYCURDPCMU-NIVTXAMTSA-N 400.238 4.889 0 1 HJAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587739501 HLIVHLHQYZIPLJ-ZSEKCTLFSA-N 421.354 4.672 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587771672 CHTOYQPWSJNNFD-FKIZINRSSA-N 412.306 4.977 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=CNCCC2)(c2ccccc2)N1 587790576 DKPANVXXLIEYII-SPLOXXLWSA-N 401.323 4.633 0 1 HJAF Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587831243 WPOCOQDSDVBHRT-SPLOXXLWSA-N 420.322 4.848 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC21CCOCC1 587832250 BCAYBWNMYBYWAZ-RCDICMHDSA-N 416.334 4.719 0 1 HJAF CC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1N(OCc1ccccc1)C(=O)c1ccccc1 653720234 CYDFLTCVWUSXPP-FQEVSTJZSA-N 410.590 4.824 0 1 HJAF COc1ccccc1-c1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218121 CBCOQRBSUBMQFN-ILBGXUMGSA-N 410.473 4.599 0 1 HJAF C[C@H]1c2c(F)cncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772604539 BUHSWYIQMNHKRJ-SJORKVTESA-N 405.477 4.620 0 1 HJAF COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)ccc1O 20028839 UHMCEGHJRSXJRY-JOCHJYFZSA-N 424.541 4.858 0 1 HJAF COc1ccc2cc([C@H](O)[C@@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl 23247597 ZCAQYJBALMKXDC-IQGLISFBSA-N 424.972 4.742 0 1 HJAF COc1cc(OC)c2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 27109682 JGWSSKJXZVVXRZ-ZJSXRUAMSA-N 400.454 4.602 0 1 HJAF Oc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 28528061 ZNCSNNAOFHIHHT-UHFFFAOYSA-N 408.505 4.843 0 1 HJAF c1ccc(Nc2n[n+](-c3ccccc3)c(CCc3ccc4c(c3)OCO4)s2)cc1 29063528 BVJTUCSLFSFFTQ-UHFFFAOYSA-N 402.499 4.677 0 1 HJAF CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(N)=O)c[nH]c34)no2)cc1Cl 84635291 SIRLWPYATPADIG-UHFFFAOYSA-N 424.888 4.743 0 1 HJAF CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 101186843 CZGBWYDZRQEECC-VXNXHJTFSA-N 407.554 4.920 0 1 HJAF CC(=O)N(CCCC(F)(F)F)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101402986 XJOZSTAKOGCPHX-DKSSEZFCSA-N 406.439 4.584 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104076001 AUZQKMRCHHZRGA-DYESRHJHSA-N 413.489 4.992 0 1 HJAF CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)C1CC1 139057929 AKWVUNUKSDSWAX-OAQYLSRUSA-N 410.583 4.888 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2cccc3c2ccc(=O)n3C)c2ccccc2O1 143510373 PVNUXOLGGWZBFZ-LJQANCHMSA-N 405.498 4.743 0 1 HJAF CN1C[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H]2CCCC[C@@H]21 169293882 CFDRWKHPJHJISG-HBMCJLEFSA-N 402.332 4.534 0 1 HJAF CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C(\C)I)cc1)N2 261096588 FMZWUJWDVRSFBN-MXVGIUBZSA-N 409.311 4.686 0 1 HJAF O=C(NCc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3Cl)no2)CC1 299831738 RAQJSYFVXXKLGY-UHFFFAOYSA-N 414.868 4.618 0 1 HJAF Cc1nc(COc2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cs1 587020213 HSDYOSUEFKFPGR-UHFFFAOYSA-N 419.279 4.870 0 1 HJAF CCCOc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br 587044338 SQQUTYAWDXBABW-UHFFFAOYSA-N 418.316 4.825 0 1 HJAF Cc1onc(-c2nc3ncc(Br)cc3[nH]2)c1COc1ccccc1Cl 587063774 WQNOTNOYOQQVKJ-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587142729 MQAUSTCRRSRVGX-JTQLQIEISA-N 404.617 4.639 0 1 HJAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1C 587334698 KCIAWRJWKNWYER-ZJSXRUAMSA-N 407.441 4.705 0 1 HJAF Oc1nc(O)c2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)nc2n1 587368772 OOGOKYGYFGMZKL-UHFFFAOYSA-N 414.248 4.989 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCO3)O2 587376445 CXCMKUYIHQBFFD-HSZRJFAPSA-N 407.853 4.868 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587429841 XFYDLSOWXBEWOB-UQBPGWFLSA-N 400.405 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc4c(ccn4C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587432174 UIDGIJHJFCZIOV-HTAPYJJXSA-N 405.450 4.922 0 1 HJAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCc2ccccc2)c1 587443845 PZOZIPXXYNUVRV-NLFFAJNJSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(C)C)CC3)cc1)CC2=O 587473709 BLFRHYUULRDYNP-XMMPIXPASA-N 408.542 4.582 0 1 HJAF Cc1ccn2c(Br)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 587495402 CYVXCTOBEKXFMV-KRWDZBQOSA-N 411.299 4.991 0 1 HJAF O=C1C[C@H]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587517845 WFTPVQXWCXKSBK-AUSIDOKSSA-N 405.494 4.558 0 1 HJAF O=C1CC2(CC3(CN(C(=O)OCc4ccccc4)C3)C2)Oc2c1ccc1c2CCCC1 587518999 SRCFDAVQISNRJD-UHFFFAOYSA-N 417.505 4.702 0 1 HJAF CCCOc1cccc(Cc2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)c1 587566996 DFQGJJAPNOFKGV-UHFFFAOYSA-N 417.303 4.882 0 1 HJAF CCCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610834 HGRRHWLEECTFDT-FDDCHVKYSA-N 424.522 5.246 0 1 HJAF C[C@@H]1CCC[C@H](NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)[C@@H]1C 587661642 QBYJMFGTTUBEKP-SXGZJXTBSA-N 409.530 4.750 0 1 HJAF COc1cc(F)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587722714 ZRBIDTCZHJCCDN-DGIBIBHMSA-N 412.274 4.542 0 1 HJAF CC(=O)n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587755950 ITOOWEQKZUBVJA-BIBXISHDSA-N 401.279 4.827 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)c1 587780769 HZZBPLUYFKHGIM-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587799567 RZXNSJKWHTZFGG-ZLXGRDSLSA-N 420.322 4.586 0 1 HJAF CC(=O)SC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844190 KUJOISJWQHIAJV-BUXKBTBVSA-N 408.336 4.646 0 1 HJAF CC(=O)SC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587844191 KUJOISJWQHIAJV-CWTRNNRKSA-N 408.336 4.646 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1nc2ccccc2[nH]1 587867025 UMPCGRIZEQPPQQ-UHFFFAOYSA-N 414.387 4.727 0 1 HJAF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2C)c(OC)c1 587930132 QFXXLAXOMPZFEK-UHFFFAOYSA-N 415.493 4.924 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccc(OC(C)C)cc1)(c1ncco1)N(C)[C@@H](C)C2 962618746 CCUFIFQELOWNFL-GKVSMKOHSA-N 422.525 4.647 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3c(Cl)ccc(Cl)c3F)N12 962666043 LZUQTXZIRNONQC-NQIIRXRSSA-N 419.283 4.869 0 1 HJAF COc1ccc([C@@]2(c3ccccc3F)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636108 PAGWSKUDALFAKB-LMKMVOKYSA-N 407.485 4.678 0 1 HJAF C[C@H]1c2ncccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772633966 DVUQADUMMXGGPJ-UXHICEINSA-N 400.526 4.763 0 1 HJAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(F)cc1 1857555997 GBRNDHOVTIEIPK-UHFFFAOYSA-N 413.374 4.917 0 1 HJAF O=c1c(C=Cc2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@H]2CN(Cc2ccccn2)C1 2356298611 OEPJMBSJAJUBFK-FPOVZHCZSA-N 417.940 4.686 0 1 HJAF CC(=O)c1ccc2oc3c(c2c1)[C@H](C(=O)c1ccc(O)c(C(C)=O)c1)[C@H](C)C[C@]3(C)O 2356672425 ISZNBGSYLBIBDP-OKZUWLNFSA-N 420.461 4.757 0 1 HJAF CC(C)=C[C@@H](C)CC=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 2356774507 ZXALVCPICGWIFY-HNAYVOBHSA-N 424.493 4.959 0 1 HJAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@@H]12 2356807114 WDTBQSJQTGAXSP-RGPNCOEHSA-N 406.563 4.586 0 1 HJAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccc(F)c(F)c3)cccn12 61906662 HTOKCMZSXOJSCZ-UHFFFAOYSA-N 401.457 4.899 0 3 HJAF CCC(=O)[C@H]1[C@@H](c2ccc(/C=C(/C)I)cc2)C[C@@H]2CC[C@H]1N2 13439775 FMZWUJWDVRSFBN-DUZOEKPWSA-N 409.311 4.686 0 1 HJAF COc1cccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1 13491637 AZHSETOUVUIVCI-UHFFFAOYSA-N 424.548 4.870 0 1 HJAF Cc1ccc2c(C(=O)c3cccc4ccccc34)c(C)n(CCN3CCOCC3)c2c1 13742557 DOVVABPQAKEIMW-UHFFFAOYSA-N 412.533 4.975 0 1 HJAF N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)O 27104860 NBJQHPFIQOMXMR-XBNGYDHASA-N 419.380 4.699 0 1 HJAF Cc1nn2c(-c3cccc(NC(=O)CC(C)C)c3)ccnc2c1C(=O)c1cccs1 28819326 MAQVAXSYUVFNIU-UHFFFAOYSA-N 418.522 4.982 0 1 HJAF O=C1NC(=O)c2c1c(-c1c(Cl)ccc(O)c1Cl)cc1[nH]c3ccc(O)cc3c21 34804195 NRDHAWQNHAINFO-UHFFFAOYSA-N 413.216 4.590 0 1 HJAF COc1ccc(-c2ccc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1 70459599 OYLZQIGMHXBFJW-UHFFFAOYSA-N 418.537 4.853 0 1 HJAF C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCCc3ccccc3)c2)CC1 85629208 WWZGRLMHQUMKNE-JTJYXVOQSA-N 408.538 4.869 0 1 HJAF biogenic,in-vitro O=C(NCc1ccncc1)C1=NC=C(C2=C(c3cc(Cl)cc(Cl)c3)CN=N2)C1 89469247 GUWLZUPTRRTZIS-UHFFFAOYSA-N 412.280 4.610 0 1 HJAF COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1 96285752 WQCBDQKMHHQCAM-UHFFFAOYSA-N 417.509 4.524 0 1 HJAF CC1(C)C=C(c2ccccc2)Nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cnn21 101379094 UNGIETIERQBQHC-UHFFFAOYSA-N 402.542 4.783 0 1 HJAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCF)no2)cc1C#N 117420535 FJOWSDOPYGNEAT-HXUWFJFHSA-N 406.461 4.609 0 1 HJAF COc1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)cn1 147166222 XMMOUQLAARVHPG-UHFFFAOYSA-N 400.269 4.719 0 1 HJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@@H](C)[C@@H]4OCC)O[C@@H](C)CC3=O 169365634 OMIZSNPUKICYBX-DDBGAENHSA-N 420.889 4.859 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Cl 587064800 GQCIRASFYODAJK-UHFFFAOYSA-N 420.492 4.530 0 1 HJAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(C(=N)N)cc2[nH]1 587122089 PWYHQFBSAXNBQS-UHFFFAOYSA-N 417.416 4.844 0 1 HJAF CCOC(=O)[C@H](Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(C)=O 587362551 JSBLUUQZORRGIJ-HXUWFJFHSA-N 417.461 4.967 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OCC)CC[C@H]1c1ccccc1 587480697 OWVRWQGEFHRCST-DFIYOIEZSA-N 408.494 4.806 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552693 BKCFHRWHDQXAEX-WIYYLYMNSA-N 415.367 4.991 0 1 HJAF COC(OC)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587569985 TXMPAWBQSVCSBC-XMSQKQJNSA-N 410.397 4.526 0 1 HJAF Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587660241 PNMIQFHOPVCYOT-UHFFFAOYSA-N 402.425 4.539 0 1 HJAF Cc1oc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587684647 ZJNGBTNZRGHZLT-NZFNHWASSA-N 403.089 4.876 0 1 HJAF COc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587709418 MJMBFCPOBFYGPR-BMLIUANNSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1 587739514 AEHCLVPKYIEKOV-APPDUMDISA-N 420.326 4.591 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C)c2-c2ccccc2)N1 587763298 JEHGLZYEQAQPHG-CWTRNNRKSA-N 400.295 4.612 0 1 HJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587784221 FYRPMQQGASAGAW-QWHCGFSZSA-N 405.679 4.922 0 1 HJAF CCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587798369 VFBQMTFAMKEIQP-NSPYISDASA-N 416.294 4.824 0 1 HJAF CCOc1cc(OC)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801895 OSTRDEJVRQPCRU-ODXCJYRJSA-N 408.311 4.793 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2cccs2)N1 587849384 UAUUEUFZYMNEDV-BBATYDOGSA-N 412.324 4.682 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)C[C@@H](C)CC2 587869566 MLHXGNGCMPLPMP-NSHDSACASA-N 421.444 4.847 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2nc(C)cc(C)c2c1N 587872785 QOQDVGUMRLNZQU-UHFFFAOYSA-N 410.474 4.585 0 1 HJAF CN(c1ccc(-c2csc(Cc3ccc(F)cc3Cl)n2)cc1)S(C)(=O)=O 587923671 CRFMQOCMQIUJCI-UHFFFAOYSA-N 410.923 4.589 0 1 HJAF COc1ccc(/C=C\Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c(OC)c1 587930941 XPXITBBNRLQQFY-ARJAWSKDSA-N 409.230 4.877 0 1 HJAF Cc1c(F)ccc2c1[C@@](C)(C[C@](N)(c1cccc(Cl)c1)C(F)(F)F)NCC2 962297548 JUZRSDQQUCOIBV-MOPGFXCFSA-N 400.847 4.955 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(Cl)ccc(Cl)c3F)N12 962666040 LZUQTXZIRNONQC-GHTZIAJQSA-N 419.283 4.869 0 1 HJAF Nc1oc2ccc(Cl)cc2c(=O)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 962995312 FTHHGZKEWZCENG-HXUWFJFHSA-N 423.925 4.633 0 1 HJAF C[C@H](O)C[C@H](O)C[C@@H]1CCCCCCCCCCCCCC[C@@H](O)C=CC(=O)O1 2356866385 WFHNHKIPMIIXND-BJESRGMDSA-N 412.611 4.812 0 1 HJAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 36384234 LNHBYCXGOYJBKA-RBBKRZOGSA-N 404.510 4.609 0 3 HJAF Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 72136335 OQLAKLCZYCJNAD-RUZDIDTESA-N 417.528 4.945 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OCC)cc1 4055264 UBKXYGXIUHRXIG-PZJWPPBQSA-N 400.906 4.747 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCC(C)(C)CO 4273967 JPWZPDJCFHCLEN-MOPGFXCFSA-N 412.933 4.628 0 1 HJAF O[C@@H](CCN1CCN(c2cnc3ccccc3c2)CC1)c1csc2ccccc12 13491126 FFDJMJKKWSECNE-QHCPKHFHSA-N 403.551 4.695 0 1 HJAF CC(C)C(=O)N(c1ccccc1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184780 IWFFEEWIMXGVTJ-UHFFFAOYSA-N 412.355 4.776 0 1 HJAF Cc1nc2cc(NCc3ccccc3Cl)ccc2n1S(=O)(=O)c1ccccc1 49803219 MPGDYPOTWWMERQ-UHFFFAOYSA-N 411.914 4.847 0 1 HJAF COc1ccc(Cc2nccc3cc(OC)c(OCCF)cc23)cc1Br 72105899 ADDQLNRFNHANPY-UHFFFAOYSA-N 420.278 4.954 0 1 HJAF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 84706969 OYOSAQDPRADLAA-QGZVFWFLSA-N 421.868 4.714 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccccn3)nc(Cl)c2C)s1 114805545 MAFLAYQHEPPOKU-LSDHHAIUSA-N 415.950 4.701 0 1 HJAF c1ccc([C@@H]2CCc3cc(Oc4ncc(CN5CCOCC5)s4)ccc3O2)cc1 145462485 SSCSMHMUJSKSIW-NRFANRHFSA-N 408.523 4.834 0 1 HJAF C[S@@](=N)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1 168819600 UOXXHPOQLJPWNQ-RUZDIDTESA-N 418.320 4.762 0 1 HJAF C[C@H]1CCCN1Cc1cccc(-c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 169198244 NUQZSHIWVKTEKO-IBGZPJMESA-N 413.565 4.891 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(F)c3)CC[C@H]12 253756587 POHRSBLYZIRFBO-VVUHAGMXSA-N 410.533 4.678 0 1 HJAF CCCc1cc(-c2nc(-c3ccc(OCCN4CCOCC4)cc3)cs2)ccn1 299824304 BPHYEEUQSSTZEW-UHFFFAOYSA-N 409.555 4.536 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cccc(Br)c2[nH]1 587167150 OAOSXNYKTOIAKB-OAHLLOKOSA-N 403.255 4.834 0 1 HJAF CC(C)COc1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2cc1Br 587243553 OAZLFUJFTAUWNX-UHFFFAOYSA-N 403.280 4.518 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccccc1CNC(=O)OC(C)(C)C)O2 587388133 WTVSXKQZMJKYKJ-GOSISDBHSA-N 410.514 4.569 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)cc1C(F)(F)F)[C@@H](C2)C3=O 587421098 NNIVMMFZMASEQU-HRAATJIYSA-N 403.400 4.803 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587456737 XXLKULJANCWZKP-CHZKFRDHSA-N 414.457 4.871 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1O 587537707 ASIPUPQVJUXQOQ-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587548749 XRAYCXPUYFFSGD-DENIHFKCSA-N 424.836 4.925 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(Cl)cc2c1=O 587550841 CCQZKKORQYGPEM-XXBNENTESA-N 420.804 4.855 0 1 HJAF O=Cc1ccc(OCCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 587566331 HDZRSATUYHUSMK-UHFFFAOYSA-N 424.092 4.522 0 1 HJAF C[C@@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620132 XPSQXDUVAZIQEF-JLTOFOAXSA-N 412.854 4.632 0 1 HJAF COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2c(C(=O)O)cccc12 587637985 HSMJHBFJDHPGKZ-UHFFFAOYSA-N 410.813 4.937 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1 587727606 BWLLHABPGKENDV-JEOXALJRSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccc(F)c3)CC2)N1 587736080 YTOPRCPVJWOYOA-AWEZNQCLSA-N 421.329 4.753 0 1 HJAF COc1cccc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 587776508 DKLAYVFGSLEPKR-BIBXISHDSA-N 401.279 4.769 0 1 HJAF COc1ccc(C=O)c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1OC 587787294 UVTRXOOXDYXYCC-UHFFFAOYSA-N 400.740 4.612 0 1 HJAF Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Br)s1 653829553 VVLRZSPVROCVKL-UHFFFAOYSA-N 400.305 4.751 0 1 HJAF CCCCC[C@@]1(CC(=O)c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963216631 ACYQEICJXQRFHT-BVAGGSTKSA-N 416.521 4.882 0 1 HJAF CN(C[C@H]1CC[C@H](COCC(=O)O)CC1)C(=O)N(c1ccccc1)c1ccccc1 1772649903 JVBFUYDFNLDSIO-MXVIHJGJSA-N 410.514 4.784 0 1 HJAF CC(=O)Nc1ccc(-c2cc(C(=O)O)nc3[nH]nc(-c4ccc(Cl)cc4)c23)cc1 1857605191 QCLRFJSAWRCJKU-UHFFFAOYSA-N 406.829 4.602 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@]2C[C@@H]2C)cc1Cl 1857612574 DRKZJUOFSWGWDD-YEJXKQKISA-N 406.375 4.624 0 1 HJAF Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@@H](c2ccc(Br)cc2)O1 3801626 SPYYTKNLIQGHIL-PMACEKPBSA-N 416.319 4.787 0 1 HJAF O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 13673896 YBEAJMHMAMGKBN-UHFFFAOYSA-N 403.482 4.578 0 1 HJAF O=c1ccc(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)c(O)c(O)c1O 27413614 MTHAXIQKZHJPER-UHFFFAOYSA-N 424.412 4.701 0 1 HJAF COc1cc2c(c(OC)c1OC)[C@]13C(=O)OC[C@H]1[C@@H](C)c1cccc4cccc(c14)[C@@H]23 28370860 LKBMSTRZHUOTEJ-IWELWZFZSA-N 416.473 4.539 0 1 HJAF O=S(=O)(Nc1cc(OCc2ccccc2)cc2cccnc12)c1ccc(F)cc1 35000898 VIRISGKRMPOGDH-UHFFFAOYSA-N 408.454 4.754 0 1 HJAF C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N1CCCC1 38319872 YVRFLLOKSKSKOM-JPYJTQIMSA-N 421.541 4.600 0 1 HJAF O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 40864580 MEFHUHUZXMCQSF-DHZHZOJOSA-N 423.560 4.695 0 1 HJAF Cc1sc(C)c(C(F)(F)F)c1CNCCCNc1cc(=O)c2ccccc2[nH]1 45230324 HCFNZSNNZXRUAQ-UHFFFAOYSA-N 409.477 4.817 0 1 HJAF CCn1ncc2c(Cl)c(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cnc21 49112589 PYIRZSRUGJREBX-UHFFFAOYSA-N 417.218 4.707 0 1 HJAF COc1ccc(-c2nc3c(C(=O)Nc4ccccc4F)cccc3[nH]2)c(OC)c1OC 71330380 BHVKEHGCDBNVMY-UHFFFAOYSA-N 421.428 4.647 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C 82178101 ZHBGHNOAWQLXFP-CTNGQTDRSA-N 420.605 4.725 0 1 HJAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cccc(F)c4)C[C@@H]2N3)cc1 100106770 BCNADPSXDWAUJY-BKFWDETESA-N 401.485 4.773 0 1 HJAF COc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1 103248460 PZYCXABMMWBLJO-UHFFFAOYSA-N 412.493 4.886 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccc(C)cc23)C(F)(F)F)c(C)c1 103253854 UDQPQRQPOLSCKG-LJQANCHMSA-N 424.488 4.853 0 1 HJAF O=C(NCCc1c[nH]c2ncc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1 114795720 UJHLGHRLGWZBSY-UHFFFAOYSA-N 407.876 4.919 0 1 HJAF CC(C)n1nccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 143019538 AUXFUAWBLSLYNJ-UHFFFAOYSA-N 419.920 4.817 0 1 HJAF CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(Cl)c2)cc1 143103587 YGCUVYQCXBRDTH-UHFFFAOYSA-N 413.926 4.982 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1 144203436 KLBHIGWSVUXRNZ-LJQANCHMSA-N 411.477 4.915 0 1 HJAF CO[C@H]1O[C@@H](OC)C2=C1[C@H]1C[C@H]1[C@H](C)C[C@@H](OC(C)=O)[C@H]2[C@H](C)CCC=C(C)C 166350171 FIIDPPXHLGJPTN-DVXFTLTISA-N 406.563 4.865 0 1 HJAF CCCCn1c(O)c2n(c1=O)[C@@H](c1ccc(Cl)cc1)c1[nH]c3ccccc3c1C2 169717788 LUWMLICOBBYOOA-NRFANRHFSA-N 407.901 4.832 0 1 HJAF COc1ccc(Cl)cc1Nc1nc(-c2nnc(NC(=O)C(C)(C)C)o2)cs1 299818909 AOQGCDCGWIPJJK-UHFFFAOYSA-N 407.883 4.583 0 1 HJAF CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CC(=O)O)[C@@H]2[C@@H]1O 299839607 YYFXBFKCPBYYBP-TWPJQBFCSA-N 406.607 4.724 0 1 HJAF Nc1nc(Cl)c2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2n1 587055549 ISISKNSOMLYKDH-UHFFFAOYSA-N 410.648 4.734 0 1 HJAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587154294 BTCUCZGENUTWJL-CQSZACIVSA-N 402.369 4.526 0 1 HJAF O=C(c1cccc(-c2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12 587275571 DERNTSDMNPAASL-UHFFFAOYSA-N 408.251 4.981 0 1 HJAF COc1cccc(-c2cc([C@H](C(C)=O)[C@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1 587363558 QSXMERRRMNIYLG-AUSIDOKSSA-N 414.461 4.608 0 1 HJAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376759 PYZUXRXBUXEWJA-MPZARTNMSA-N 418.873 4.881 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3cc(C(=O)O)ccc3F)cc1)O2 587380712 BXLKXVVORMUEQW-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF CCCOc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417926 NKYXQXXAEHJGSR-QRWLVFNGSA-N 403.272 4.735 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(Br)cc31)CC2=O 587461554 XRLGPWIHTUDEQM-FQEVSTJZSA-N 403.272 4.750 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cccnc12 587585227 CVSLAYJNALMGCP-BWKNWUBXSA-N 409.397 4.798 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587703251 GLEWYKOBBUXXRP-VVVCHXIZSA-N 408.702 4.821 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743962 QJJYGLCGFSAYDQ-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)cc2)N1 587745402 JQBLJNVAYIYKOP-PEBXRYMYSA-N 411.318 4.997 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2CCCCCC2)N1 587749157 NGEMFBRYMKBDGW-XCLFUZPHSA-N 411.359 4.567 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccncc2)N1 587757411 VNFNNUNOXCTYSP-SPLOXXLWSA-N 414.322 4.651 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cnc2ccccc21 587860140 MNUJXBCDBSMXEA-UHFFFAOYSA-N 415.280 4.946 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1Cl 587862023 YXJPEEQFJICNGU-UHFFFAOYSA-N 410.779 4.950 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN[C@H](C)c1ccccc1 587862853 ZDLWJFZCEJHGFC-CQSZACIVSA-N 403.404 4.569 0 1 HJAF CCOC(=O)CC[C@]1(c2ccccc2Br)NCCc2c1sc(C)c2C 963004376 CHCGJYOJKFQSJL-HXUWFJFHSA-N 422.388 4.860 0 1 HJAF Cc1c(F)cccc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187368 DNCBIUMHHTYZLI-KBXCAEBGSA-N 401.787 4.669 0 1 HJAF Cc1cc(NCCc2c[nH]c3ccccc23)n2nc(SCc3ccccc3)nc2n1 1772633279 OQBWFDWKZHCPGC-UHFFFAOYSA-N 414.538 4.861 0 1 HJAF CCC[C@H]1c2cc[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c2c1CCCO2 2356292489 QWCZPDURECPWHZ-PZJWPPBQSA-N 407.510 4.733 0 1 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCN(CC)CC 4213559 DNVUGEXEZIOROB-PKTZIBPZSA-N 417.594 4.557 0 1 HJAF CCOc1ccccc1CNC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 8611555 ADGNUDOFIGXTSZ-UHFFFAOYSA-N 416.477 4.756 0 1 HJAF O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12CC3CC(CC(C3)C1)C2 13441749 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PNTNSMSMAYYHKD-RSXGOPAZSA-N 415.666 4.525 0 1 HJAF COC(=O)n1c([C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)O)nc2ccccc21 49112747 IFLNBOXJWJFGFW-BWWMBTDCSA-N 424.456 4.726 0 1 HJAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180400 WWSKARQFYUPAET-IBGZPJMESA-N 415.541 4.739 0 1 HJAF COC[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 84742366 BBYKXKUKIDZJQS-KRWDZBQOSA-N 405.991 4.771 0 1 HJAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(-c3ccccc3)nn(C)c21 95598376 WVICZDPAZBDYEW-UHFFFAOYSA-N 420.557 4.655 0 1 HJAF CC(C)(C)c1ccc(-c2cc(C(=O)NCCN)cc(-c3cnc4ccccc4n3)c2)cc1 96915140 AXJSPJLEUZHYCF-UHFFFAOYSA-N 424.548 4.950 0 1 HJAF CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(NC1CCCCC1)S2 96938420 ZXEORHJRRGZYCJ-GCJKJVERSA-N 417.575 4.635 0 1 HJAF C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@@](O)([C@H](CO)CC(=O)O)OC1 145459895 RFKUHBLGCIYMDR-XOPRDNPMSA-N 420.590 4.518 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167771140 OTYYFHOYBHWRFW-RDTXWAMCSA-N 423.538 4.640 0 1 HJAF c1ccc(COc2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1 586967469 YRAXIPHNOMJQKW-UHFFFAOYSA-N 415.478 4.879 0 1 HJAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586983617 GNJBYSWDQZUVOV-GOSISDBHSA-N 420.310 4.799 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc(F)c2[nH]1 587108873 HNBGGPWRIYZSIB-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF O=C(Nc1cccc(-c2nc3cc(Br)cnc3[nH]2)c1)c1ccc(F)cc1 587163414 PGFFLFBPMXUJQE-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF COc1cc(C)c(N)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587248698 FNCNORHLDDQXNI-UHFFFAOYSA-N 416.197 4.790 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1N1CCCCC1)O2 587389733 JBLXMTZEMQYNRR-QFIPXVFZSA-N 416.525 4.768 0 1 HJAF COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432161 OHIXYHQICLXAOB-HOYKHHGWSA-N 418.493 4.811 0 1 HJAF C[C@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549704 SWZPBXRAVLKZFZ-NFBKMPQASA-N 423.852 4.795 0 1 HJAF C/C(=C/[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587613093 NLFBOBUKKMYABL-FVHARZDNSA-N 407.491 4.776 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(C=O)c(F)c2F)N1 587722888 UBDZNJFMFYDGLG-DDNLTXGXSA-N 420.175 4.581 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O 587772761 WGWHXKVQLNNISQ-BIBXISHDSA-N 401.279 4.585 0 1 HJAF CCOc1cc(OC)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801893 OSTRDEJVRQPCRU-FKIZINRSSA-N 408.311 4.793 0 1 HJAF COc1ccc2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587807474 XFZXMKCLZHRSBG-GIPWTMENSA-N 403.295 4.876 0 1 HJAF COc1cc2c(cc1OC)[C@@](C(F)(F)F)(C(Cl)(Cl)Cl)N(C)[C@@H](C)C2 962637989 UPRKUVSPEDDIGQ-SDBXPKJASA-N 406.659 4.708 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C[C@@H](C)CC(=O)O)c1cccc(C)c1C 963058941 RHTAAAPFTGIEFT-QMTYFTJSSA-N 418.537 4.750 0 1 HJAF O=C(O)c1ccoc1COc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963102169 KITRGXXLFVWKHG-MBSDFSHPSA-N 407.441 4.806 0 1 HJAF O=C(O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1Cl 1857744964 AWSBVIWHCMLTAU-AWEZNQCLSA-N 417.086 4.702 0 1 HJAF CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(CC)s3)N2C1=O 1857775199 MHKSTLAWFJQTLC-RXVVDRJESA-N 407.539 4.870 0 1 HJAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)cc1OCC=C(C)C 2356507429 VPSRGTGHZKLTBU-QIMADWELSA-N 424.493 4.844 0 1 HJAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccccc12 1649420 LUGOGMLPVSFYFG-UHFFFAOYSA-N 411.502 4.601 0 1 HJAF COc1ccc(Cl)cc1-c1cccn([C@H](CN2CCCC2)c2ccccc2)c1=O 13436673 MKZSODUGUWEYBW-JOCHJYFZSA-N 408.929 4.863 0 1 HJAF CCOC(=O)C1(c2ccc3c(C)cc(Oc4ccc(C(=N)N)cc4)nc3c2)CCCC1 13535199 XCVKPLFBAXRCKB-UHFFFAOYSA-N 417.509 4.994 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 20507912 UDEQWQBOSLIMOF-LEOXJPRUSA-N 416.546 4.675 0 1 HJAF Cc1ccc(NC(=O)[C@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 26954500 FSHSFSWCXDGVQS-ZFTPDRLMSA-N 406.570 4.847 0 1 HJAF Cc1cc(N(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 28376433 CGMGOMRJWDSTJH-UHFFFAOYSA-N 403.404 4.646 0 1 HJAF Cc1cc(-c2cccc(NC(=O)OC(C)C)c2)n2ncc(C(=O)c3cccs3)c2n1 28819311 DWUANKPNBVWJCH-UHFFFAOYSA-N 420.494 4.954 0 1 HJAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@H]1c1ccc(F)cc1)CC2 38147551 VIUIHCNTOLSYJT-SGNDLWITSA-N 406.545 4.848 0 1 HJAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCCC2)cc1 38279904 QMOOZQNZSGJZTJ-UHFFFAOYSA-N 405.542 4.729 0 1 HJAF NC[C@H]1CCCN1Cc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 45228501 RRVHHPXIYMLLBQ-JOCHJYFZSA-N 400.501 4.959 0 1 HJAF C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 49035775 GGUUYQBMWBFCFQ-IBGZPJMESA-N 423.516 4.822 0 1 HJAF CCCN(CCC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 73169444 QBXJZIPXHOHCMS-OAQYLSRUSA-N 401.522 4.503 0 1 HJAF CC1CCN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)CC1 82141098 QWYIZOKOPLRTQF-UHFFFAOYSA-N 404.489 4.767 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc(C)c1 82146897 DWEYGGJQBOQRTH-GOSISDBHSA-N 418.541 4.644 0 1 HJAF N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3ncc(Cl)c3n2)CC1 101556680 AOSKHAXBGHJEBD-PHIMTYICSA-N 409.296 4.601 0 1 HJAF C[C@@H]1COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)N1Cc1ncccn1 206194405 FHFWXDQOBWUWEW-CQSZACIVSA-N 413.399 4.586 0 1 HJAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1 207616914 VHUFJBBNAXAKDJ-UHFFFAOYSA-N 408.465 4.845 0 1 HJAF COC[C@@H](C/C=C/c1ccc(OC)c(OC)c1)[C@@H](OC)c1ccc(OC)c(OC)c1 238783429 POJZGFBYCGEYIF-NRUMPKIHSA-N 416.514 4.775 0 1 HJAF O=C(O)c1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 299833108 HNDCVUYSRWGVQO-UHFFFAOYSA-N 401.506 4.533 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587112000 GENVGFJGTJBJJZ-MRXNPFEDSA-N 417.218 4.683 0 1 HJAF FC(F)(F)Sc1ccc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1 587123547 DKHHLGZVHXQDOM-UTCJRWHESA-N 401.211 4.849 0 1 HJAF FC(F)(F)c1ccc(-c2nc3ccnc(Cl)c3[nH]2)c(I)c1 587178544 DTRWTFMUQOMODB-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCC(=O)CC1 587234675 TTZMNQMUYPYKII-UHFFFAOYSA-N 415.387 4.584 0 1 HJAF Nc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2ccccc2n1 587254630 VRGBYEWWYWKFGG-UHFFFAOYSA-N 407.193 5.142 0 1 HJAF C[C@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331366 PKHGTMRANFFTCR-OXQOHEQNSA-N 419.239 4.902 0 1 HJAF CC(=O)Nc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335189 KSUHBQQXZHHCCA-UKILVPOCSA-N 417.436 4.690 0 1 HJAF COc1cc(Br)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497349 CBQXWLYYOKBTGA-GOSISDBHSA-N 403.272 4.749 0 1 HJAF CCn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587574794 CDAAIFLFMNOUCD-RDPSFJRHSA-N 400.434 4.639 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccccc1)C2 587581934 XWXXWCWMWAHCKP-RDGATRHJSA-N 414.461 4.777 0 1 HJAF COCCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598067 SXLQLFHJORGPTB-ZJSXRUAMSA-N 406.434 4.510 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cccc2Br)N1 587681918 YKCRDGKNRBTFNQ-ZKANADHPSA-N 414.116 4.557 0 1 HJAF Cc1cc(Cl)c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587706274 PLAQSGWLDBMNQW-BMLIUANNSA-N 408.702 4.821 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2ccccn2)N1 587729669 HXQUSZWBBXKLIC-YEJXKQKISA-N 415.281 4.948 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587734028 MLYPKISJUYJHNL-YBTHPKLGSA-N 418.285 4.845 0 1 HJAF CCc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587745393 WBZQRHLBMCKXTN-ASSNKEHSSA-N 419.338 4.929 0 1 HJAF CCc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746513 ZZQXGAZQXSCXTL-YEJXKQKISA-N 419.338 4.929 0 1 HJAF Cc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587770759 UEHCHCXHNLWDGH-HNNXBMFYSA-N 403.339 4.927 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1 587771518 TYKXTWDKMUOZQQ-RXMKGDSKSA-N 407.371 4.887 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 587832538 ZCXCIIZYHQGCNP-QKVFXAPYSA-N 420.322 4.748 0 1 HJAF Oc1ccc(OCCCc2ccccc2)n1-c1cc2cnccc2c(Br)n1 587942457 YVPDGVHIABYWFP-UHFFFAOYSA-N 424.298 4.900 0 1 HJAF CC(C)c1cc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2s1 653673711 NJPBDVHXZJEHEK-SFHVURJKSA-N 403.555 4.859 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](c3ccccc3)(c3ccsc3)N12 962628661 CTAVMGCBLLRLBQ-DQEYMECFSA-N 414.530 4.687 0 1 HJAF O=C1c2cc(O)ccc2[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(O)ccc21 962673520 XEADOXGYBUFGDX-MUUNZHRXSA-N 419.480 4.747 0 1 HJAF CCOC(=O)CCC[C@]1(c2cccnc2)c2ccsc2CCN1Cc1cccnc1 962999434 RQFGPQXCWCWQSM-DEOSSOPVSA-N 421.566 4.573 0 1 HJAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(F)c1F 963189985 NKAVWZIYPSGIGN-MLGOLLRUSA-N 405.750 4.634 0 1 HJAF Cc1cccc2c1[C@H](CC[C@H]1CCCO1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905679 ZRUUALSDZTXEDK-QRVBRYPASA-N 403.519 4.632 0 1 HJAF COC(=O)CCC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@]12C 2356378980 ZFHOCBSSUADVIP-QTDDQOEGSA-N 420.590 4.979 0 1 HJAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(-c5ccccc5)o4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356762636 KHGOMJMMQNGHLI-NHFKNZBFSA-N 416.517 4.955 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O 2356769869 PKZDHQQHMWMSHL-IRPDTPLQSA-N 420.546 4.686 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)c1 61904439 HTODRGYHNZZDJI-JOCHJYFZSA-N 416.493 4.826 0 3 HJAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(Cl)cc2)O3)c1 61908215 LVTNPCASIYUZSF-QHCPKHFHSA-N 421.884 4.693 0 3 HJAF OC1CCC(Nc2ccn3nc(-c4cccc(OCc5ccccc5)c4)cc3n2)CC1 61908809 VBHANVYMPMCDPG-UHFFFAOYSA-N 414.509 4.691 0 3 HJAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(-c3ccccc3)cc2)c1)C(=O)O 590164 SMGUXZWVZUOLCO-FQEVSTJZSA-N 417.505 4.946 0 1 HJAF CC(C)Cc1ccc(-c2ccccc2S(=O)(=O)Nc2ccc(Cl)nn2)cc1 592399 IDKZDPXGGWGTFB-UHFFFAOYSA-N 401.919 4.796 0 1 HJAF Cc1cccc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1 1824466 ZEXNMZNYWXCPIN-RTWAWAEBSA-N 418.518 4.731 0 1 HJAF C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 4177877 SDIQZUPBYGTTRC-NQBHXWOUSA-N 416.831 4.804 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214677 MAPXQIJRDUNXME-YPIGPJMWSA-N 416.562 4.519 0 1 HJAF Cc1nc2c(OCc3c(Cl)ccc(N)c3Cl)cccn2c1Br 13778258 SSLOHHJMAMRKEF-UHFFFAOYSA-N 401.091 4.873 0 1 HJAF CCCCc1nccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12 13861648 CGRJFGANAJNCDA-UHFFFAOYSA-N 423.513 4.949 0 1 HJAF CCCCCC[C@H](C(=O)O)n1cnc2cc(-c3ccccc3S(=O)(=O)O)ccc21 25972160 SXQSQRPWTIOLQS-LJQANCHMSA-N 416.499 4.546 0 1 HJAF Nc1cccc(Cl)c1Oc1ccccc1CC(=O)O[C@H]1OC(=O)c2ccccc21 26389953 XZFCECDPRALVEC-QFIPXVFZSA-N 409.825 4.669 0 1 HJAF CC(C)c1ccc(SCCSc2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 26643696 FNVRXTVHXQNXGY-UHFFFAOYSA-N 418.580 4.949 0 1 HJAF CN(C(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 26738101 YLKUOWZBWYIGDI-SDHOMARFSA-N 402.582 4.858 0 1 HJAF O=C(O)CCc1cc(Br)c(OC2CCCCC2)c(Br)c1 28973833 UUPVEFMYALNSEQ-UHFFFAOYSA-N 406.114 4.940 0 1 HJAF CC(=O)Oc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 34167406 BPDOBFGXQDKNBE-SGKWCMOWSA-N 400.515 4.681 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 64274775 OOFIJSZYCVFWEY-FQEVSTJZSA-N 410.395 4.916 0 1 HJAF OCc1cn(C[C@H](OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1 95574943 FODXSMBGDMILAD-SFHVURJKSA-N 412.704 4.689 0 1 HJAF Cc1cc(NC(=O)CC(=O)O)c2c(c1Oc1ccc(O)c(CCC(C)C)c1)CCC2 95598317 NPKNCAXKMZYAIJ-UHFFFAOYSA-N 411.498 4.983 0 1 HJAF CC1(C)CC=C(c2cc(C3(O)CCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 141206959 UUMTZTDBNOXQLG-UHFFFAOYSA-N 404.514 4.889 0 1 HJAF Oc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1 253770662 GQXBPSLBHRQMDR-MXVIHJGJSA-N 404.558 4.755 0 1 HJAF CN1Cc2cc(C(F)(F)F)ccc2Oc2ccc(-c3cccc([C@H](O)CO)n3)cc21 473121144 FPJZEFBQEKTWJO-LJQANCHMSA-N 416.399 4.535 0 1 HJAF O[C@H]1C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 586904436 TYWRIOPORHOLDU-YGRLFVJLSA-N 413.193 4.793 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cc1 586931527 WVQRCXREDKCVKS-UHFFFAOYSA-N 413.449 4.642 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cc(Br)ncc3O)nc3cccc1c23 587100909 BKBCAEBZLROCTK-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF CN1CCN(c2ccc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3c2)CC1 587112297 LNBWWMYXNRWAPV-UHFFFAOYSA-N 411.431 4.549 0 1 HJAF CC(C)Oc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br 587177587 ORQYGRHYPJKPKW-UHFFFAOYSA-N 419.298 4.914 0 1 HJAF CC(C)Oc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587198838 SDHKJXJREVBHAQ-UHFFFAOYSA-N 400.482 4.876 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(N)cc4ccccc34)nc2c1 587251587 JWINCQJDXRGKMQ-UHFFFAOYSA-N 410.271 4.905 0 1 HJAF COC(=O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355605 YTVSEWSMELQOAD-NOZRDPDXSA-N 420.436 4.739 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587479518 UELKDQAVONBEFQ-NPMXOYFQSA-N 403.519 4.716 0 1 HJAF O=C1C[C@H]([C@@H]2CCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517473 NWQBKSTVVSSPLC-JTHBVZDNSA-N 405.494 4.700 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587575142 BEWZZUJBGWKCJY-ZJSXRUAMSA-N 403.434 4.536 0 1 HJAF CC1(C)[C@H](Oc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600171 MNHMNWIURQJIEO-CZSZKKDXSA-N 402.446 4.970 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1 587605939 BXSPGIQTFYNPNV-HUROMRQRSA-N 424.452 4.983 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1 587728134 CWVPXACZZGGKOI-FKIZINRSSA-N 424.285 4.760 0 1 HJAF Cc1cc(C)c2c(N)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc2n1 587747365 PZMKRPXYHJHYKP-BIBXISHDSA-N 418.310 4.726 0 1 HJAF COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C 587754883 FILUYFUNXPSYRJ-PRWKNARSSA-N 403.295 4.712 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587765453 CJZJQLVMHQGUJN-MZPVMMEZSA-N 413.331 4.563 0 1 HJAF CCCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836850 XWYWPYJFRVCWDF-ZSEKCTLFSA-N 420.322 4.937 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc2c(n1)-c1ccccc1CC2 587868637 NRFAAFYTCDZFJQ-UHFFFAOYSA-N 423.398 4.517 0 1 HJAF CCCC[C@]1(c2ccnc(Cl)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961826 HMEMCDGZICCOBF-IFXJQAMLSA-N 415.267 4.699 0 1 HJAF Cc1c(O)ccc2c1[C@](C)(c1ccc(Sc3ccccc3)cc1)N[C@H](C(=O)O)C2 963505627 CACOQTJUJQCGCB-RDPSFJRHSA-N 405.519 4.714 0 1 HJAF Cc1cc2c(cc1O)[C@@H](c1ccc(SCc3ccccc3)cc1)N[C@H](C(=O)O)C2 963529768 XPSFQTHXCRJOIJ-JTHBVZDNSA-N 405.519 4.681 0 1 HJAF Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 8772702 KFGSFPBLUPOHFW-UHFFFAOYSA-N 415.493 4.650 0 3 HJAF COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 5070781 ZIIPPEXBKZENGT-JOCHJYFZSA-N 408.542 4.713 0 1 HJAF COc1cc(OC)c([C@H]2[C@@H](C)[C@@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 6031721 WCERJEZPIONOJU-BIPDHNIMSA-N 416.514 4.891 0 1 HJAF endogenous,in-man CC1CCN(CC[C@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 13531255 BDPXTGHWVMUJCT-OAQYLSRUSA-N 400.588 4.505 0 1 HJAF CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1 13589518 NACKJUZBJUGMSD-UHFFFAOYSA-N 408.458 4.768 0 1 HJAF CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 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HJAF COc1cccc([C@@H]2O[C@@H](CC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC 84709741 QWYMDKZWOZLJRT-FPOVZHCZSA-N 413.857 4.783 0 1 HJAF O=C(CCc1cccc2ccccc12)c1ccc(OC[C@H](O)CN2CCCCC2)cc1 96941825 XWISGMWFTCFMIY-XMMPIXPASA-N 417.549 4.881 0 1 HJAF CC(C)N1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 140844313 AWTJSBNHYBHAKG-GOTSBHOMSA-N 421.560 4.695 0 1 HJAF Cc1cc(Cl)cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142491454 UVTVRHYPVHIBGS-RUDMXATFSA-N 412.898 4.528 0 1 HJAF NCCC[C@]1(C(=O)O)CCc2c(ncn2CCC2CCC(C3CCCCC3)CC2)C1 169306717 KUVAYHVUNQWSPM-AJPKXHFHSA-N 415.622 4.959 0 1 HJAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299884631 UEFFNNPUQIERNK-LMQGHGSNSA-N 406.574 4.709 0 1 HJAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586983618 GNJBYSWDQZUVOV-SFHVURJKSA-N 420.310 4.799 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccc(O)cc3[nH]2)cc1OC 587055477 CXMDCKWHDBRFPW-UHFFFAOYSA-N 423.856 4.858 0 1 HJAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 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CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3c(Cl)cc(Cl)cc31)CC2=O 587462875 RCHAJAMCKKKNOO-HXUWFJFHSA-N 407.249 4.821 0 1 HJAF CCOC(=O)C1(c2ccncc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587516616 YQFPGGNQLCDUNB-UHFFFAOYSA-N 419.521 4.740 0 1 HJAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br 587539473 IPSVACSCYRKGKE-FXAWDEMLSA-N 412.239 4.561 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCN(C)C)c2)N1 587739195 GJUQTUVWINKUHZ-QKKBWIMNSA-N 421.354 4.542 0 1 HJAF CC(C)n1ncc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc21 587756448 DSXHRMPZMCSNJK-ADLMAVQZSA-N 403.299 4.537 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)cc2)N1 587761184 TUZMZNPDSKDIGB-RNODOKPDSA-N 400.295 4.572 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cccnc12 587778690 OJQXOOVNDIPLIC-LAJNKCICSA-N 411.274 4.915 0 1 HJAF Cc1cc(N2CCN(C(=O)Oc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2n1 95567849 OEXSMLMKGKWVOZ-UHFFFAOYSA-N 415.415 4.883 0 3 HJAF O=S(=O)(c1ccc(-c2ccsc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 26660545 XAAIZFRCJNPWKC-UHFFFAOYSA-N 415.584 4.909 0 1 HJAF CCN(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)c1ccccc1 26954454 JSVCHYCWIRWLJK-VRPROWQSSA-N 420.597 4.953 0 1 HJAF CCCCNC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28335736 GYIQDBKQPXCMHR-UHFFFAOYSA-N 419.510 4.610 0 1 HJAF OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 28822090 KGIIBFMVNOITPP-UHFFFAOYSA-N 410.739 4.638 0 1 HJAF C[C@@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088071 KGFRQVJXQKRIGD-LWKKZUAWSA-N 402.538 4.733 0 1 HJAF CC(C)CCN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189704 WAICHBXZTLQXKX-LWVUOAAJSA-N 402.623 4.723 0 1 HJAF CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2C[C@@H]2C)c(Cl)c1Cl 43075481 DDNLDCCXWKXEIV-JRTLGTJJSA-N 406.375 4.624 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H]3CCc4ccccc4C3)ccc21 59615364 XHJHRZVEARVZGD-IBGZPJMESA-N 417.549 4.607 0 1 HJAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 82069932 QFMGQZUETAULQE-FQEVSTJZSA-N 411.571 4.571 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H]1CCCO1 82180259 OAAMUIQOQODWKC-SFHVURJKSA-N 405.527 4.654 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)o1 82214648 HKJUWYWOQHVFAT-IERDGZPVSA-N 404.514 4.966 0 1 HJAF CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2n1 84633306 UQOAIOXRQHVEGJ-UHFFFAOYSA-N 415.472 4.699 0 1 HJAF CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 95563533 TUXYBYBEENLUNP-MRXNPFEDSA-N 409.507 4.901 0 1 HJAF CCCc1cscc1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O 96908802 SFUUSYIYAKSHRW-GOSISDBHSA-N 404.963 4.721 0 1 HJAF CCOC(=O)c1oc2cc(OC)ccc2c1CNc1ccc2c(C)cc(=O)oc2c1 103175606 ITKOGMZRPJDWNO-UHFFFAOYSA-N 407.422 4.645 0 1 HJAF CO[C@@H](C)C(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1 144308982 CBRPGHMVZUMORA-HNNXBMFYSA-N 403.482 4.532 0 1 HJAF COC1=C(F)[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169305304 WWWWZFLJGIDVFC-ZOCZFRKYSA-N 421.438 4.925 0 1 HJAF Cc1ccc(N2CCc3ncnc(NCCc4ccc(Cl)c(Cl)c4)c3C2)nc1 202609035 MJBNFCCSAFYSDI-UHFFFAOYSA-N 414.340 4.704 0 1 HJAF COc1cc(-c2nccc3nc(-c4cccc5cc[nH]c45)[nH]c23)cc(OC)c1OC 473168050 JHXYIFNOMSPGDS-UHFFFAOYSA-N 400.438 4.799 0 1 HJAF Fc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1Br 586979942 YUGIFJFBAHNXDF-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COC(=O)Cc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988579 MXFWMTYSOUDSHV-UHFFFAOYSA-N 413.404 4.673 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)ncc3[nH]2)c1 587049701 ULYZZSDLZZFWIB-SREVYHEPSA-N 418.284 4.655 0 1 HJAF CCOC(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353429 ZFBGUYGMZNVXGC-REWPJTCUSA-N 400.446 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCCN3CCC[C@@H](C)C3)c1)O2 587396268 RHRSBLZBBNIWOU-MZNJEOGPSA-N 408.542 4.785 0 1 HJAF CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 587407403 IDTNWCYALJNYBN-SGANQWHYSA-N 421.493 4.746 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(Cl)cc41)[C@@H](C2)C3=O 587422556 QPEWUQRXROYQKJ-CYFREDJKSA-N 402.833 4.584 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc(F)cc3)cn1C)CC2=O 587466255 JXVRQCJFUUWVJV-JOCHJYFZSA-N 407.441 4.760 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(C(C)(C)c1cccnc1)CC2=O 587486539 CHBUKSVAZZNLLO-VWLOTQADSA-N 402.494 4.973 0 1 HJAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)O 587520867 GJGXXFGVNFPOHB-LHSJRXKWSA-N 410.466 4.523 0 1 HJAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587553201 UHYCIQKQUURFSL-WIYYLYMNSA-N 406.825 4.635 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OC(F)(F)F)c1 587554977 JZEPVKYNVSIHAC-FXAWDEMLSA-N 418.323 4.699 0 1 HJAF COc1cc(Cl)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557854 PDZUHKXMVGCBHB-WIYYLYMNSA-N 400.789 4.896 0 1 HJAF CC[C@@]1(Cc2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595828 UDOVVRYXHAECBD-DHLKQENFSA-N 420.461 4.763 0 1 HJAF COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587615768 HEWCXOJZIWDAJQ-WRALFONMSA-N 418.445 4.653 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccccc2F)N1 587727283 NGYLKKZPOPDUKW-YPMLDQLKSA-N 404.258 4.741 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccn2)N1 587733210 LAQJMYRDVXKLRV-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF Cc1ccncc1[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587772225 DZWILMOAQOLRLT-QKKBWIMNSA-N 412.306 4.513 0 1 HJAF CCOCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798595 PDVIQGIFWSXNHA-MPBGBICISA-N 408.311 4.757 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCc3ccccc3C2=O)N1 587822670 LWCLEARJRBPTDJ-PTPDTQQLSA-N 402.307 4.783 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587843909 UXVORCQLOPOPFD-BIBXISHDSA-N 404.279 4.758 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(OC)c(OC)c4)[nH]c3c2)cc1 587927298 RYNFZKDGTVKJLU-UHFFFAOYSA-N 418.449 4.750 0 1 HJAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cnc2cc(Br)ccc2c1 587941313 UEURHJBZERSMPT-UHFFFAOYSA-N 417.303 4.717 0 1 HJAF c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1ncc(-c2ccsc2)[nH]1)C3 653730828 GJXBTFZLJZMFBR-TZIWHRDSSA-N 404.539 4.974 0 1 HJAF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc(O)cc2)cc1 653798418 OWQHPMJECIZGDO-VWLOTQADSA-N 419.452 4.551 0 1 HJAF COC(=O)C[C@]1(c2ccc(Cl)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962703955 NXPHLPLGMCSPMP-VGSWGCGISA-N 419.949 4.649 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@](CCc1cccc(F)c1)(c1ccc(F)cc1)NCC2 962933348 UOBPCKVJTKXJCU-AREMUKBSSA-N 420.503 4.689 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)c(Br)c(F)c1 963049914 WLUKDWOEBOSJJE-SFHVURJKSA-N 405.242 4.519 0 1 HJAF CCCCCC[C@@H](C)C=C(C)C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 2356464928 GGAGAVWBROLYIO-GCJKJVERSA-N 401.547 4.702 0 1 HJAF C[C@H]([C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H]1CCCCN1 2356832175 HZPYZHNFVJNOCS-CHFBEAJRSA-N 401.635 4.675 0 1 HJAF COc1cc(O)c([C@@H](CCN2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c(OC)c1 13661598 OLFSXDXTVMVCID-GCJKJVERSA-N 412.574 4.729 0 3 HJAF COc1cc([C@@H]2CC(=O)Oc3cc(C)c(Br)c(C)c32)cc(OC)c1OC 13814838 XVNBUQCNUJEVTB-ZDUSSCGKSA-N 421.287 4.533 0 3 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCc1ccccc1N 4080517 OXAANWVRTSKPMO-ZEQRLZLVSA-N 423.557 4.998 0 1 HJAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C(C)C)[nH]c(=O)c12 13585118 QBUNGWDIKMLHTQ-UHFFFAOYSA-N 403.722 4.914 0 1 HJAF COc1ccc2cc([C@@H](C)c3nnc4sc(-c5ccc(N)cc5)nn34)ccc2c1 28823130 PXAIUYLETSNZBK-CYBMUJFWSA-N 401.495 4.749 0 1 HJAF COc1cc2c(cc1OC)-c1cc(Nc3c(Cl)cccc3Cl)nc(=O)n1CC2 29241093 JPASERXWCPIZJI-UHFFFAOYSA-N 418.280 4.534 0 1 HJAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(OC)ccc3OC)ccc21 35064577 FQYPXMZTKHBORY-UHFFFAOYSA-N 410.495 4.632 0 1 HJAF CCCOc1c(C(=O)NC2=CCCC2)sc(C(=O)NC2=CCCC2)c1OCCC 45298343 OHOBHVXUSKTBRY-UHFFFAOYSA-N 418.559 4.921 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(c2ccnc3ccccc23)C1 45322279 FWUNHKMNSNAZDT-INIZCTEOSA-N 400.404 4.654 0 1 HJAF Cc1cnccc1-c1nc(C)c2c(C)nc3c(F)cc(OCC(F)(F)F)cc3n12 73159464 XCTJCGBYOUBBCH-UHFFFAOYSA-N 404.367 4.950 0 1 HJAF CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82188524 TTXSNAOFKRPDSQ-TZIWHRDSSA-N 420.605 4.725 0 1 HJAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nccc3occc13)CC2 96173194 XLIKROKXPPGMKW-UHFFFAOYSA-N 414.509 4.718 0 1 HJAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(-c2ccccc2F)c1)O3 96269855 CUKJITWBNJEOLQ-WAIKUNEKSA-N 406.409 4.956 0 1 HJAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)cc1 100092608 CSLNRFXYYIDFEE-LNWKWYTESA-N 413.521 4.642 0 1 HJAF CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 146190463 YMVJRNIIQPJFDZ-UHFFFAOYSA-N 407.539 4.912 0 1 HJAF CCCCCC[C@@H](C[C@@H]1OCO[C@@H]1CCCCCCCC(=O)OC)OC(C)=O 169306946 YCBXTQVGRHXKBE-HBMCJLEFSA-N 400.556 4.924 0 1 HJAF C[C@H]1Oc2ccccc2O[C@@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1 169312214 PNGIUPKSHPIGPW-HOYKHHGWSA-N 422.525 4.642 0 1 HJAF COc1ccc(NC(=O)[C@H]2C(C)=Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1 169724297 WUXODEPKVBXYQX-LEWJYISDSA-N 400.438 4.588 0 1 HJAF COc1ccc(F)cc1-c1cc([C@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 219465817 WOKIAMLNFBVNQG-INIZCTEOSA-N 424.350 4.818 0 1 HJAF COc1ccc(C(=O)n2c(-c3cn(C)c4ccc(OC)cc34)nc3ccccc32)cc1 473099588 GOABWOSLQWDZIH-UHFFFAOYSA-N 411.461 4.901 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586962584 SEAKNOUBURRQOD-SSDOTTSWSA-N 403.227 4.988 0 1 HJAF COc1cc(Br)c([C@@H](N)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC 586977112 XZJZXAFKGMSYQK-QGZVFWFLSA-N 418.335 4.688 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Cl)nc3[nH]1)N2 587033286 YGFLSTMHYITWMH-TZZQWBKVSA-N 405.936 4.738 0 1 HJAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587037931 ARQQNYPIKJJCOS-UHFFFAOYSA-N 421.482 4.659 0 1 HJAF Cc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br 587042758 LZWBUMFKGYNHEX-HNNXBMFYSA-N 422.735 4.943 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 587231698 UYUHLGHTMWSDPU-UHFFFAOYSA-N 408.408 4.730 0 1 HJAF C[C@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342355 DKWYSYHRMBILAU-UKILVPOCSA-N 417.436 4.542 0 1 HJAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355688 ZHDMDTOZAOZHHR-NRYAXDJKSA-N 412.457 4.628 0 1 HJAF COc1cccc(-c2cc([C@H](C(C)=O)[C@@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1 587363561 QSXMERRRMNIYLG-WMZHIEFXSA-N 414.461 4.608 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cccs1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587453778 YXRGJUHUJVRFAL-WNSKOXEYSA-N 403.459 4.776 0 1 HJAF Cc1cccc([C@@H](O)[C@@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587516068 ULERQFUQAIZEOM-FTJBHMTQSA-N 414.505 4.567 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557233 QVDVOAMZJZARJJ-PXNSSMCTSA-N 401.340 4.817 0 1 HJAF CCOc1ccc(-c2nn(-c3ccc(Cl)cn3)c(=O)c3ccccc23)cc1OCC 587669641 VFZMROJTHSFRLD-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)F)nn(C)c2Cl)N1 587720149 RWOWVCKKHCOVDG-PWCHPLFNSA-N 408.649 4.536 0 1 HJAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587721218 WHVSJDBZKORCNK-FVMDXXJSSA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1 587726116 UQMHUHMYFQXTIG-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1 587736503 SEHOECCJGCHWDV-PYDTXJQDSA-N 420.297 4.994 0 1 HJAF CCn1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756366 KIABWSWCZSRJDY-ODXCJYRJSA-N 402.311 4.756 0 1 HJAF Cc1cccc([C@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962904153 BYKMOIUYGXOVJM-WIOPSUGQSA-N 404.485 4.543 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CC=C(c3ccc(F)cc3)CC2)N1 962978058 QRZYNLIRZJYNAQ-UWJYYQICSA-N 407.819 4.819 0 1 HJAF Cc1cccc(I)c1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963118430 ZKFBUOPHGGYTQC-HNAYVOBHSA-N 407.270 4.849 0 1 HJAF O=C(Nc1ccnc(F)c1)C1=NN(Cc2ccc(Cl)cc2Cl)[C@H]2CCCC[C@@H]12 1772620181 GMKWRLUSDILWKC-WBVHZDCISA-N 421.303 4.897 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4080601 XVSQGDAPUAXGEB-TZIWHRDSSA-N 417.912 4.553 0 1 HJAF Cc1c(CC(N)=O)c2cc(Oc3cccc(C(=O)O)c3)ccc2n1Cc1ccccc1 13605125 KLPJRGAZKKRNHI-UHFFFAOYSA-N 414.461 4.516 0 1 HJAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(Cl)n2)CC1 13782302 JDVIYNZAJBRAHN-UHFFFAOYSA-N 412.748 4.684 0 1 HJAF COc1cc(OC)c([C@@H]2[C@@H](c3cc(OC)c(OC)cc3OC)[C@H](C)[C@H]2C)cc1OC 15119527 WCERJEZPIONOJU-PKERQCHISA-N 416.514 4.891 0 1 HJAF endogenous,in-man C/C=C/c1cc(OC)c(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 33829824 KSYLISCRMLSHDL-XVJNWHFHSA-N 402.487 4.773 0 1 HJAF biogenic,in-vitro C[C@]12C=CC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)Sc3ccccn3)CC[C@@H]12 34315779 FOOJBYZHQBYLFU-MCWCVRKFSA-N 410.583 4.614 0 1 HJAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCN(Cc2ccccc2)c2ccc(F)cc21 35933261 FCWIBYQHRCBDSA-OAQYLSRUSA-N 415.472 4.975 0 1 HJAF O=C1NC[C@H](c2ccccc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2 36222059 CZFHRUYUXGGFNR-HSZRJFAPSA-N 406.545 4.981 0 1 HJAF CNc1nccc(-c2ccc(C(=O)NCC(c3ccccc3)c3ccccc3)s2)n1 40762512 NJHYYLPVLKEBQP-UHFFFAOYSA-N 414.534 4.809 0 1 HJAF Cc1nn(C)c2ncc(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c12 49073157 GOGQOBHFDBPZLG-UHFFFAOYSA-N 417.218 4.532 0 1 HJAF O=C(Nc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101089 CQUVTRGORUXZOW-QFIPXVFZSA-N 406.917 4.674 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CCN1CCCCC1 82180545 YLUBAEBFBHDJOR-UHFFFAOYSA-N 420.605 4.821 0 1 HJAF CCS(=O)(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 84723826 UOCXCVRXVINRCQ-POBGKJHXSA-N 409.636 4.542 0 1 HJAF Cc1cc(C(=O)Nc2cc(Br)cc([C@@]3(C)CCSC(N)=N3)c2)c(C)o1 141346772 MTQUNEVSXBMCID-GOSISDBHSA-N 422.348 4.578 0 1 HJAF [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(N)cc3)C2=S)cc1C(F)(F)F 167868729 JBLXKQXOMQCOFQ-UHFFFAOYSA-N 404.417 4.755 0 1 HJAF COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(SC)cc1 169696773 KGBDFGPALQILEO-GOSISDBHSA-N 408.527 4.583 0 1 HJAF CC[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261192059 ZOJYMCBGKBJTGD-ONTIZHBOSA-N 412.618 4.912 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)c1 586966791 RQVMWAHETFZEDN-UHFFFAOYSA-N 421.570 4.598 0 1 HJAF CCOC(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 586977920 VPNMTCRQPUFDSK-UITAMQMPSA-N 401.260 4.681 0 1 HJAF Fc1ccccc1-c1nnc(SCc2nc3cnccc3[nH]2)n1-c1ccccc1 587152623 BEXQVJZNOFOQKR-UHFFFAOYSA-N 402.458 4.637 0 1 HJAF Cc1cc(C)c(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)c(F)c2)c(C)c1 587368617 SVWQDQHBZZZJIS-UHFFFAOYSA-N 405.429 4.746 0 1 HJAF CN1CCC(N(C)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587513175 IMQYQQYMIJKHNG-VWLOTQADSA-N 404.554 4.802 0 1 HJAF CN(C)/C=C/[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568125 DAUMLMLHJSXBRH-MQIXYZICSA-N 423.415 4.603 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595590 LEIMEECASYGPIK-URXFXBBRSA-N 410.466 4.626 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc(F)cc1F 587658292 KBHHGSRHPRFCLE-UHFFFAOYSA-N 411.408 4.726 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2ccnc2)N1 587722534 SILGCKIEKGPMNG-FKIZINRSSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(F)c3)CC2)N1 587732407 NAWWRGNZTKOMDR-ZDUSSCGKSA-N 407.302 4.757 0 1 HJAF Cc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587743727 PLEJNYCCDOOERT-ZUOKHONESA-N 405.311 4.675 0 1 HJAF COc1nc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587778361 MKGZPEJPLUQVBD-WLRWDXFRSA-N 401.279 4.769 0 1 HJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799320 RSXYTRVOXWGGPK-TVSHIAKJSA-N 412.343 4.707 0 1 HJAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC 587808895 RDVVWMJGQDSYEZ-GIPWTMENSA-N 408.311 4.712 0 1 HJAF CCCc1nn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c(=N)s1 653790133 IERNQFQUJYCWCP-UHFFFAOYSA-N 416.959 4.859 0 1 HJAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 653805756 GVVXAWYQJHOZKA-KRWDZBQOSA-N 423.431 4.647 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc12 962722433 WZGMNBLEBLYTAG-WOJBJXKFSA-N 403.375 4.994 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccccc1NC(=O)Oc1ccccc1)NCC2 962916604 CFBHEAKFKJWUTG-XMMPIXPASA-N 404.514 4.564 0 1 HJAF CC(C)c1nn(C)c2c1[C@H](c1cccc(OC(=O)c3ccccc3Cl)c1)NCC2 962922396 WOOGYJJAUOIJBO-QFIPXVFZSA-N 409.917 4.651 0 1 HJAF CSCc1cnc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962952334 GXJGJESPTFEKMQ-INIZCTEOSA-N 414.518 4.766 0 1 HJAF C[C@@]1(CC(=O)c2ccccc2F)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958991 PVTHDWMJPYCREZ-NRFANRHFSA-N 421.434 4.984 0 1 HJAF C[C@@]1([C@@]23C[C@@H]4C[C@H]2C[C@@H](C4)C3)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963173313 KVHFAPLYEDCFTI-CDBSZOBRSA-N 413.867 4.999 0 1 HJAF CC(C)Cc1cc(CNS(=O)(=O)c2cccc3ccccc23)nn1-c1ccccc1 1772581428 CUMANKPPZGPLPE-UHFFFAOYSA-N 419.550 4.703 0 1 HJAF COc1ccc2c(c1)CC[C@H](Cc1cc[n+](Cc3ccc(C)cc3)cc1C(C)=O)C2=O 1857536911 IXJNEFYONZZHLV-HSZRJFAPSA-N 414.525 4.530 0 1 HJAF COc1ccccc1OCCc1ccc(CN2CCN(c3ccccc3)CC2)cc1 1857573594 CZGFVVYSLONZNH-UHFFFAOYSA-N 402.538 4.639 0 1 HJAF O=C1C=C[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2C=CCCC[C@H](CCc2cccc3ccccc23)O1 1857626507 MJJBGCXYQKBMCD-KBDPUJGOSA-N 420.549 4.729 0 1 HJAF O=c1c2cc(F)ccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12 1857647564 NQFRMWXJZDYGBL-UHFFFAOYSA-N 420.421 4.856 0 1 HJAF CC[C@@H](CO)Oc1cc(NC(=O)c2cccc(Cl)c2)c2ncn(C(C)C)c2c1 36389251 HEJXAKDXRVVZIC-INIZCTEOSA-N 401.894 4.673 0 3 HJAF O=C(COCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1 61959073 TXJOKYQUXNTJJM-AZGAKELHSA-N 401.506 4.592 0 3 HJAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CCc1c[nH]c2ccccc12 72122883 SDMAHUITVLAFEU-SANMLTNESA-N 411.505 4.883 0 3 HJAF O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4210471 QPTJEJCGQBGMRF-GGAORHGYSA-N 422.887 4.930 0 1 HJAF Clc1ccc(N2CCN(Cc3cnn4c(-c5ccccc5)cccc34)CC2)cc1 13438656 XDYCBVKXSXIDCW-UHFFFAOYSA-N 402.929 4.977 0 1 HJAF CCC(CC)Nc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C(C)C)C(C)C)cc1 26647191 SPUAAOHAJPQWIL-UHFFFAOYSA-N 420.623 4.882 0 1 HJAF CCOC(=O)NC(=N)c1ccc2[nH]c(-c3cccc(-c4ccccc4O)c3O)cc2c1 40556779 UWBSNCQIQRVSHK-UHFFFAOYSA-N 415.449 4.985 0 1 HJAF O=C(Cc1cccc2ccccc12)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45201722 ASZBAUONPVGCMU-FQEVSTJZSA-N 415.924 4.979 0 1 HJAF Cc1cc(OCCCNC[C@H]2CCCN(C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49034394 IDIYNCNZIJYGSP-LJQANCHMSA-N 424.564 4.686 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1ccc2ccncc21)C(F)(F)F 64446661 JVNZWCHMCPIYAT-HXUWFJFHSA-N 410.411 4.845 0 1 HJAF Cn1c(-c2ccc(C(=O)N3CCCC3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71296388 HNNUFGHXZACPCD-UHFFFAOYSA-N 420.944 4.842 0 1 HJAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1 82067298 ALLHADBMVNASMF-QGZVFWFLSA-N 407.518 4.562 0 1 HJAF CCCC[C@H](NC(=O)O[C@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 101037464 ZXHXXGCJLDYHEB-QIYLELGZSA-N 416.562 4.543 0 1 HJAF COc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1-n1cnc(Cl)c1 103235453 PRFLLKXCOFUSLI-UHFFFAOYSA-N 413.758 4.945 0 1 HJAF CCCCN(c1sc2ccccc2c1C)S(=O)(=O)c1cccnc1N(C)C 115233047 MDRMIBJGEQIPLR-UHFFFAOYSA-N 403.573 4.666 0 1 HJAF C[C@@H]1CC[C@@H]([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 138669212 IRRHFODGOMSPEE-VETKRUEYSA-N 415.662 4.921 0 1 HJAF CO/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCN1CCCCC1 149328064 OYXNUCBYFCBPOS-RGQKVHTQSA-N 422.356 4.620 0 1 HJAF O=C(O)C[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)c1ccccc1 205135188 DTLIDYQJLOBQPK-JOCHJYFZSA-N 416.521 4.862 0 1 HJAF Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)c1 253782430 OEHMLOUHECZJOD-HHNQPZQHSA-N 406.570 4.847 0 1 HJAF COc1cc(C(=O)c2ccn(-c3cccc(N4CCCCC4)c3)c2)cc(OC)c1OC 299829912 SYZPHPRZCASQOO-UHFFFAOYSA-N 420.509 4.724 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586962984 VYLAWALUYPLEQQ-SSDOTTSWSA-N 403.227 4.988 0 1 HJAF COc1cc(OC)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586984353 FKUYSAMIEQELOV-LJQANCHMSA-N 416.319 4.528 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2 587031163 LXOSKNQZVFJHER-TXEUWIOXSA-N 406.483 4.968 0 1 HJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(I)ccc3[nH]2)n1 587078967 DWGFQUUADGSANX-MRVPVSSYSA-N 400.651 4.655 0 1 HJAF COc1cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2cc1F 587114457 UVLLZCJLPFBCIU-UHFFFAOYSA-N 413.396 4.601 0 1 HJAF CC(C)Oc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587166737 HTSBLZLFKQBGBE-FPLPWBNLSA-N 418.266 4.904 0 1 HJAF CCn1ncc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587344726 YEBXRPRXHCEHFC-ISKFKSNPSA-N 408.473 4.967 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1C(=O)OC)CC2=O 587457796 NLJAGGYXLCXHRP-SFHVURJKSA-N 419.271 4.600 0 1 HJAF CCc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587746179 YSFUHCSIRNQNOD-ASSNKEHSSA-N 419.338 4.929 0 1 HJAF Cc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587752455 FDDDUCRELFWLLE-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1 587759589 GUZBLFDJOAQSOR-PZPWOCDFSA-N 403.339 4.612 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1ccc(F)cc1 587854714 IITSGCVREROIFG-UHFFFAOYSA-N 422.243 4.674 0 1 HJAF O=C(O)Cc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 587962690 VUVLIJTWECHWEQ-UHFFFAOYSA-N 413.193 4.562 0 1 HJAF Cc1c(C(=O)O)c2cc(OCCCN3CCCCC3)ccc2n1Cc1ccccc1 653719082 IPUSOAFUHSYBME-UHFFFAOYSA-N 406.526 4.951 0 1 HJAF COC(=O)c1cc(OC)c2cc(O)c3c(c2c1O)[C@H](C)[C@@H]1[C@H](C(C)C)CC[C@]1(C)O3 2356586033 JVSMFQFBSQVHOE-HCSDCRICSA-N 414.498 4.983 0 1 HJAF CSc1ncc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(C)n2)cn1 19760374 YSERMIGEOLSAPH-JOCHJYFZSA-N 401.539 4.531 0 3 HJAF CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 586426 VRBPVOFTDKMURN-UHFFFAOYSA-N 423.524 4.896 0 1 HJAF CC(C)=CCc1c(O)ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c1O 5854562 RIWDYFGEQJAMKI-GOSISDBHSA-N 424.493 4.885 0 1 HJAF endogenous,in-man CC(C)(C)COC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610493 PXRRMCXNWHQHJW-SYNABNAWSA-N 400.559 4.815 0 1 HJAF CCOC(=O)OC[C@@H]1O[C@H](CCc2ccccc2)CC[C@@H]1Oc1ccc(OC)cc1 13783114 YJHAZGIAAHLKAT-PUHATCMVSA-N 414.498 4.796 0 1 HJAF CCCCCc1cc(OC)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c1 14516268 QXDIHIOKSGGXLD-UHFFFAOYSA-N 416.470 4.709 0 1 HJAF biogenic Brc1ccc(/N=c2/nc3ccccn3n3nc(-c4ccccc4)cc23)cc1 17213102 NGNODFWOFCYIGT-XTQSDGFTSA-N 416.282 4.644 0 1 HJAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn([C@H](C)CO)c1=O 29208070 VCXLMEHFCKQBTQ-GFCCVEGCSA-N 417.292 4.640 0 1 HJAF COC1=C[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45245461 FDWHRNRDGMYDCB-UQASEVPWSA-N 403.448 4.628 0 1 HJAF CN(C)C12C[C@H](NCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 58584046 BUPIVROIGNEUGH-YNXSZTIQSA-N 403.614 4.680 0 1 HJAF COc1cc(C(=O)c2cc(CCc3ccc(C)cc3)sc2N)cc(OC)c1OC 71341463 FJLDJGOLSCFPFT-UHFFFAOYSA-N 411.523 4.681 0 1 HJAF CC1(C)Oc2cc(OC(=O)c3cccc(OCc4ccccc4)c3)ccc2C[C@@H]1O 72176929 ZSGVMVIWRAXHPV-QHCPKHFHSA-N 404.462 4.559 0 1 HJAF O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cccc(-c4ccccc4)c3)cc2)C1 95555469 KETPPLLAPQURIV-QFIPXVFZSA-N 421.518 4.506 0 1 HJAF O=C(Nc1cccc(COc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1 96285747 PGVQHZUQTUVEMC-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cc(OC)ccc1OC 104038907 BKADZCGUAPWNGE-INIZCTEOSA-N 413.499 4.525 0 1 HJAF CC1=N[C@@]2(C[C@@H]([C@@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 169708643 MWVBEWBNSOHPSD-FHZYATBESA-N 409.917 4.569 0 1 HJAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)[C@@H](Nc1cccc(O)c1)c1ccccc1 202050199 HHAPVDUUMXLJHB-IBGZPJMESA-N 415.478 4.670 0 1 HJAF Cc1nc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3Cl)CC2)sc1C 261192978 ZVNVSBYNJGKUBN-MQMHXKEQSA-N 413.374 4.862 0 1 HJAF CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 299885323 VHFHIWNYFVGNIW-NXXWWENFSA-N 417.557 4.590 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1ncc2c(Cl)nccn12 586987233 UQHVIDDYXRNJJZ-CYBMUJFWSA-N 424.847 4.536 0 1 HJAF COc1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 586990861 GYFCUGGCGDNTGK-LJQANCHMSA-N 421.452 4.808 0 1 HJAF Fc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1Br 587006314 DZYPYNVLDIICFH-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587091311 DFVZCYGTCRCCJX-JTQLQIEISA-N 404.417 4.969 0 1 HJAF O=C(N[C@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O)OCc1ccccc1 587104201 OTZGTSZTYZWLKE-NRFANRHFSA-N 406.441 4.970 0 1 HJAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F 587149931 IUKQHYWOCWMULX-OAHLLOKOSA-N 406.314 4.770 0 1 HJAF Cc1cc(Br)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196800 XCEQHEFHKPHFSV-CYBMUJFWSA-N 424.339 4.550 0 1 HJAF C[C@@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331655 DYVYSZPHGOFQGB-UPVQGACJSA-N 405.425 4.678 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587335925 ITYSINXRCSHODF-NOZRDPDXSA-N 412.420 4.624 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCC[C@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O 587446818 GIDRCAQODGKGLH-PNTFMKQHSA-N 406.478 4.558 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(O)c(OCC)c1)CC2=O 587456571 RGYNMXQJLAXAEA-QGZVFWFLSA-N 421.287 4.918 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2ccccc21 587457727 BUWQCCFGLWBHOX-FQEVSTJZSA-N 401.256 4.834 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1N)(c1ccccc1C(=O)O)CC2=O 587468100 ARCSESIGNNIIQT-RUZDIDTESA-N 417.461 4.534 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)CC2=O 587479966 MPJALUXXEQZJRQ-JTJQLJSMSA-N 424.493 4.715 0 1 HJAF O=C1C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2c1ccc1c2CCCC1 587512990 HFOMSPZVTZRWGH-QHCPKHFHSA-N 405.494 4.573 0 1 HJAF Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527982 VTDQUFSNESTLAU-RUZDIDTESA-N 401.462 4.809 0 1 HJAF COC(=O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613470 PAFPQOUUJQGFAP-OFNKIYASSA-N 424.474 4.654 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(N)c2)N1 587681023 VYGIBPCFCYJWMD-ZKANADHPSA-N 414.116 4.557 0 1 HJAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1 587760939 RHFOWMCVUZBNEM-ASSNKEHSSA-N 414.322 4.921 0 1 HJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Br)c(O)c2[nH]1 587783159 YJWZBPGXNWIEFS-UHFFFAOYSA-N 411.255 4.983 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1 587810525 UQLPDCIQAMWVBO-PRWKNARSSA-N 406.295 4.706 0 1 HJAF COc1cccc2c1OCC([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 587835571 QBCMISUXESMRMV-JEOXALJRSA-N 404.279 4.648 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)Nc1cccc(C)c1 587864766 OXCCDDDPKMNTLL-UHFFFAOYSA-N 417.387 4.555 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1c(C)nn(Cc3ccccc3)c1C)N(C)[C@H](C)C2 962565610 IBKDHQVEEBAVRH-CPJLOUKISA-N 405.542 4.531 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4cccc(F)c4[nH]3)cc2F)c(CC)c1CC(=O)O 1772642579 HPLSAQCIRMGACX-UHFFFAOYSA-N 424.451 4.505 0 1 HJAF CC(C)COC(=O)N1CCC[C@@H](c2cc(C(=O)Nc3ccccc3Cl)no2)C1 61904078 YVHNEBSYLONOQU-CQSZACIVSA-N 405.882 4.552 0 3 HJAF O=c1oc2cc(Cl)ccc2c(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2143912 RVUSSNLYXAQKLO-UHFFFAOYSA-N 409.669 4.635 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCN(CC)CC 4212601 MHHZZVQSTUHMMM-PKTZIBPZSA-N 417.594 4.557 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295442 DCUPCNFOXFBODB-XWGVYQGASA-N 424.541 4.559 0 1 HJAF CC1=C(CC/C(C)=C/CC[C@@H]2C=C[C@@H](C3=CC(=O)O[C@@H]3O)O[C@@H]2O)C(C)(C)CCC1 13827545 IHBISWKFXRKGKM-ARZBAINESA-N 416.558 4.711 0 1 HJAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(Cl)c(Cl)c2)c2cccc(O)c21 13862152 KFZXZPKYBGRKMG-UHFFFAOYSA-N 413.256 4.893 0 1 HJAF CCCCCCN(CCCCCC)CCNS(=O)(=O)c1cccc2cnccc12 27556752 ZZLMNSYUFASUPL-UHFFFAOYSA-N 419.635 4.976 0 1 HJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1 29411553 LESQYFONTGYRRR-HZPDHXFCSA-N 413.272 4.711 0 1 HJAF CCCc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 38359399 IVSNFHQAIYJSCL-SANMLTNESA-N 414.480 4.591 0 1 HJAF CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 71341820 ZMEUGFNXRYBLOH-UHFFFAOYSA-N 413.477 4.792 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)CC1 82139261 INOXZDAACMQREY-LAUBAEHRSA-N 410.537 4.828 0 1 HJAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(C(C)C)cc2)cs1)C(=O)NCCCOC 82195934 XOTBABLGLMMGIR-JXFKEZNVSA-N 403.592 4.913 0 1 HJAF C[C@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C 85559665 BRPIABZRYYNFFV-MUNARKKMSA-N 402.575 4.564 0 1 HJAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3o1)CC2 96173078 QKSFTCQNZKTOMM-UHFFFAOYSA-N 414.509 4.718 0 1 HJAF O=C1NC(=O)/C(=C/c2ccc(Oc3cccc(/C=C/[N+](=O)[O-])c3)c(Cl)c2)S1 96282287 UHUAZONODGRNMT-OCSBKKPVSA-N 402.815 4.704 0 1 HJAF Cc1cccc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1 110786052 ZEXNMZNYWXCPIN-SFTDATJTSA-N 418.518 4.731 0 1 HJAF Cc1cc2ccccc2nc1N[C@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 146560637 BVJDGKQCWAYVEZ-JOCHJYFZSA-N 419.525 4.947 0 1 HJAF O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 253633196 FFWITCRFOHKGPC-PPUGGXLSSA-N 413.562 4.935 0 1 HJAF Clc1ncc(I)c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885524 VOYPHLOKOITXBP-DGIRIXITSA-N 413.690 4.684 0 1 HJAF CC(C)COc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586903834 QJJHMRZSBOWUBH-KDOFPFPSSA-N 401.304 4.929 0 1 HJAF Cc1nc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2cc1Br 586915038 GLKFUJCUGOXDTC-UHFFFAOYSA-N 424.254 4.797 0 1 HJAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)cc(F)c4[nH]3)CC2)cc1 586955096 KXBDYYVEHULEDV-UHFFFAOYSA-N 419.497 4.533 0 1 HJAF Oc1nc2cc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3cc2[nH]1 587068188 KVGBMHFEUZYRSE-UHFFFAOYSA-N 416.828 4.911 0 1 HJAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587159804 ZLLNQLKMFXXEBR-UHFFFAOYSA-N 419.500 4.909 0 1 HJAF COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cn1 587245785 XQIUDDJLHQJODE-UHFFFAOYSA-N 415.169 4.585 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCNc3nc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587329715 LXOZJFRIRNDZIL-UGKGYDQZSA-N 410.832 4.650 0 1 HJAF Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[nH]c2c1 587344063 FKZOHDKUIYSVDE-QPPBQGQZSA-N 402.425 4.990 0 1 HJAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348323 WBVJBRMIIDZXHB-OQRIRGNISA-N 417.480 4.923 0 1 HJAF CCOC(=O)c1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352293 WSVOWLGKHZQUAM-RCZVLFRGSA-N 420.436 4.982 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC)c(Br)c1)[C@@H](C2)C3=O 587414558 WGKZEOYXDINSDV-GTNSWQLSSA-N 409.663 4.608 0 1 HJAF COc1cc2c3c(c1)O[C@](c1cc(Br)ccc1F)(C1CC1)[C@@H](C2)C3=O 587423475 KRNXHODRJUDEDS-YWZLYKJASA-N 403.247 4.650 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccnc3C)c1)CC2=O 587471755 UEAVTAVULMZXHK-HSZRJFAPSA-N 406.482 4.613 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CNC(=O)OC(C)(C)C)CC2=O 587472139 XMNZENKQOQESCH-CMJOXMDJSA-N 403.519 4.764 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cccc12 587546126 OBKMQLVKKZBZRE-SIKLNZKXSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Cl)c2)c1 587546793 KSUYAQSEVORVJM-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)nccc21 587552299 PUYYOHITBGUBDK-RXVVDRJESA-N 406.825 4.635 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3ccccn23)N1 587705746 OIEBNPONPSMJGS-YPMLDQLKSA-N 408.702 4.687 0 1 HJAF CCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587717866 GVUSXQCZNWCZMH-VFZGTOFNSA-N 420.248 4.837 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2OC(F)F)N1 587719078 PGZSRKMAULYBCO-VPTHRUTESA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1 587766782 HIVLJOBYEAXJSV-BIBXISHDSA-N 407.327 4.784 0 1 HJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587925472 AZLMIGPWTIHAOB-QGZVFWFLSA-N 402.498 4.953 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@H]([C@H]2CCc3[nH]c4ccc(F)cc4c3C2)N1)C(F)(F)F 962773485 WOKISBXBGMAJLF-SKOKVVANSA-N 416.418 4.799 0 1 HJAF COc1ccc([C@]2(CCc3cccc(OC)c3)NCCc3c2c(C(C)C)nn3C)cc1 962915368 HPTARQXAFRINLD-SANMLTNESA-N 419.569 4.583 0 1 HJAF C[C@@]1([C@@]23C[C@@H]4C[C@H]2C[C@@H](C4)C3)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963173328 KVHFAPLYEDCFTI-WOBQCBLSSA-N 413.867 4.999 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc3cc(O)ccc3c2)N1 963177242 CQDOQWFCTGNMEB-OALUTQOASA-N 421.802 4.906 0 1 HJAF C[C@@]1(CSc2nncs2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833876 YKQGAWFQVOAFQH-QFIPXVFZSA-N 422.579 4.752 0 1 HJAF Fc1ccc(C2(NC[C@H]3CC[C@H](c4nnn5cnc6[nH]ccc6c45)CC3)CCC2)cc1 1772597715 FZZLQVXOAMBGHG-QAQDUYKDSA-N 418.520 4.688 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857575671 GAKQCHSAMHXTOB-LSQMVHIFSA-N 408.494 4.900 0 1 HJAF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCCc3ccccc3)c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c1ccc(NCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1 1642271 DPNVDWUURGMMCV-UHFFFAOYSA-N 400.434 4.644 0 1 HJAF CCN(c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1)C1CCCCC1 2500185 WLQJSUVNFJYHMQ-UHFFFAOYSA-N 408.571 4.911 0 1 HJAF COc1cccc(-c2c(C(=O)O)n(-c3ccc4c(c3)OCO4)c3ccc(OC)cc23)c1 26007579 ZNONZUGWGQAXGQ-UHFFFAOYSA-N 417.417 4.742 0 1 HJAF Cc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1 28470308 RDMKLDLBIMCGMN-UHFFFAOYSA-N 421.548 4.836 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)C[C@H]2O 40430482 DOUGJCUAIIVOOP-RWHSQANCSA-N 416.558 4.818 0 1 HJAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4ccoc34)n2)c1 64526631 ZAARSQMNTKRNDW-UHFFFAOYSA-N 414.874 4.767 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)C1 82132565 KVENMMBHROUDGP-WEMPKCCASA-N 406.574 4.934 0 1 HJAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)nccn32)C1 100618863 NCHFWUJQZIDDMH-GPCKLQJOSA-N 422.435 4.677 0 1 HJAF CC(C)c1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115656388 JXJCVKGEZPZRAF-AREMUKBSSA-N 414.480 4.762 0 1 HJAF C[C@H](O)c1ccc2c(c1)CN(C(=O)Nc1ccc(NC(=O)CC3CCCC3)cc1)C2 166650862 NVACGCHBTQNTBL-INIZCTEOSA-N 407.514 4.806 0 1 HJAF COc1cccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1OC 204168633 OWZFRMMJYGBTKN-UHFFFAOYSA-N 415.497 4.596 0 1 HJAF CCc1nc2c(n1-c1ccccc1)CCN(C(=O)c1cccc(Cl)c1Cl)C2 225968005 QESATOAADZLWMP-UHFFFAOYSA-N 400.309 4.940 0 1 HJAF O=C(O)c1cccc(CN(Cc2ccc(F)cc2)C(=O)c2cnc3ccccc3c2)c1 473113735 HJSQCRSFKNMRKD-UHFFFAOYSA-N 414.436 4.915 0 1 HJAF O=S(=O)(c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1)C(F)(F)F 586897984 CYLAFZSMUNNHSJ-UHFFFAOYSA-N 418.396 4.896 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2)cc1 586930825 HXAUBXLFQMBFBB-UHFFFAOYSA-N 405.523 4.980 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 586960906 DGVDSUIEGUMCKM-HNNXBMFYSA-N 403.573 4.588 0 1 HJAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1C 587168192 UZOBPBLUWYFXIN-UHFFFAOYSA-N 417.487 4.548 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(C)cc1 587207749 UPBGKMYRIFVGAS-OAHLLOKOSA-N 406.711 4.707 0 1 HJAF CCc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587343802 DOVKJNQJIOIBBB-RDNFPUQESA-N 422.456 4.932 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1Br)[C@@H](C2)C3=O 587412027 GSGAMQMGPWQBFK-GTNSWQLSSA-N 424.088 4.709 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC(C)=O)ccc1Br)CC2=O 587456320 NJGTTYBLJIPZEM-IBGZPJMESA-N 419.271 4.739 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)CCC(=O)OCC)c1)CC2=O 587484445 RQYFOIQDPZQHGP-JOCHJYFZSA-N 410.466 4.577 0 1 HJAF COC(=O)c1noc(C)c1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527278 RVJQVXQQSPQOQI-RUZDIDTESA-N 417.461 4.557 0 1 HJAF CC[C@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602864 ZIKSMPJGTHUIQN-XUZZJYLKSA-N 404.418 4.585 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccn2)n1 587612170 KMLPSFQAZIWFQM-RXVVDRJESA-N 402.431 4.614 0 1 HJAF COc1ccc(COC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655665 DIYCXZOLXSALGS-UHFFFAOYSA-N 422.387 4.535 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1 587711937 YPFPUJRCRYPEPY-RDGWCUKFSA-N 408.233 4.639 0 1 HJAF Cc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587740731 KHMKPPIADFOYFY-WBCRCKDYSA-N 403.339 4.750 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cnccn2)N1 587773088 HXGSJIBVTREFOY-YUNKPMOVSA-N 414.278 4.794 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OCC3CC3)c2)N1 587811321 WUDRABMEHYOBQD-YBTHPKLGSA-N 406.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)OCC(C)(C)CO3)N1 587839454 SHYQAAPKFNWIBG-ZDUSSCGKSA-N 412.343 4.661 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)c(C)c1Cl 587855311 IXQVSBZPTVNSHE-UHFFFAOYSA-N 413.692 4.639 0 1 HJAF CN(C)[C@@H](Cn1c(O)cc(Cc2ccccc2)c1O)c1cccc(Br)c1 587940263 NUDLJKNOVDABIH-IBGZPJMESA-N 415.331 4.556 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)c(Br)cnc4[nH]1)(C3)C2 587949920 NMKKDNXFYBBCGP-IMWAJYHESA-N 424.726 4.527 0 1 HJAF C[C@H](CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)CC(=O)O 587963125 NZQMTSQYIDHCPA-GFCCVEGCSA-N 419.403 4.877 0 1 HJAF O=Cc1cccn1C[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962710829 PDBCHHDFAPHHEJ-OFVILXPXSA-N 420.553 4.747 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CN2CCc3cc(Br)ccc32)cc1 1772576684 NQKGFYKAUSDBCM-UHFFFAOYSA-N 422.326 4.846 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC(F)(F)C1 1772602010 SJPWYPFQPIGEAJ-UHFFFAOYSA-N 409.314 4.532 0 1 HJAF COc1cc2c(cc1C(=O)Nc1ccccc1N)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772619091 CAYDEKOQXXQNAK-WRALFONMSA-N 408.542 4.531 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356557554 SMCQXKQWSCYFRG-FDRKSOINSA-N 416.558 4.628 0 1 HJAF C[C@@H](COc1ccccc1)OC(=S)N(C(=O)COc1ccccc1)c1ccccc1 3648416 YYOWZTRRPNMLDR-IBGZPJMESA-N 421.518 4.868 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO 4216578 SIAAAKLDQMCTRK-FGZHOGPDSA-N 402.579 4.959 0 1 HJAF COc1ccc(Cn2c(SCC(=O)NCc3ccccc3)nc3ccccc32)cc1 8609186 HIOAFQHDFXTHLD-UHFFFAOYSA-N 417.534 4.502 0 1 HJAF COc1ccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 13446420 LISIIQJRTQSYKZ-OAQYLSRUSA-N 421.368 4.840 0 1 HJAF COc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)cc1 13673620 GWKIGGBPQCNPSU-UHFFFAOYSA-N 405.483 4.902 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@@H]1[C@H](C)CC[C@@]2(C)C(CCC=C(C)C)=CCC[C@@]12C 14409478 CAOAPQVYLIYACO-IZNHPSPTSA-N 420.590 4.979 0 1 HJAF biogenic CCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1 20271596 YEGMKYYILBKMLY-SFHVURJKSA-N 423.534 4.867 0 1 HJAF O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2[C@@H]1CN1CCCCC1 26579191 FHVYBRJOURPHKM-QFIPXVFZSA-N 416.487 4.860 0 1 HJAF O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1 29056516 OWLHXXQEBCXCEF-GMQQYTKMSA-N 412.577 4.701 0 1 HJAF CN1C[C@H](C(=O)Nc2nccs2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21 34800955 ZPSZJXUFHHHORF-IDHHARJASA-N 408.571 4.521 0 1 HJAF COc1cccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)c1 43059871 NLHLSSGFVQCMOY-UHFFFAOYSA-N 417.419 4.619 0 1 HJAF O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2C2CCCCC2)c2ccccn2c1=O 66074855 JDGJRPQBTFMXDE-DEOSSOPVSA-N 416.521 4.677 0 1 HJAF Fc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)cc1 82187375 LPDPGZVCWZATFB-QGZVFWFLSA-N 423.517 4.528 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1 95911929 MWBJDDYEYGDWCZ-VOEXGTDZSA-N 413.646 4.771 0 1 HJAF biogenic,in-vitro CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 100350685 RYMZZMVNJRMUDD-BYEYZBKFSA-N 418.574 4.586 0 1 HJAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 103232714 FUDPGINZLFJYBK-JOCHJYFZSA-N 420.461 4.837 0 1 HJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1 104059919 DOWDDESRPBHXBA-CFBLSMTOSA-N 405.296 4.712 0 1 HJAF Fc1ccc([C@@]23CCN(Cc4cc(-c5ccc6ncnn6c5)ccc42)C3)cc1Cl 114348368 UNUKMFOSTQWWQA-QHCPKHFHSA-N 404.876 4.694 0 1 HJAF Cc1cc([C@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144352159 MGAKERYLYVGEOF-IBGZPJMESA-N 401.388 4.549 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]12C 169713461 HNCAMNUTTBOMFY-RQQHLKTHSA-N 402.623 4.725 0 1 HJAF COc1nccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1Cl 205648828 YULRWMWOKWDWIL-UHFFFAOYSA-N 421.859 4.788 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255243897 NEMWYOKGHGSVSC-ZEZCGOJPSA-N 415.662 4.563 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299876738 GFBBCSZINJABQE-FJTGNWTPSA-N 418.578 4.622 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 586973909 SDNQNEZFYBXELQ-MRXNPFEDSA-N 422.323 4.575 0 1 HJAF CC(C)(C)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 587002902 HWBCNAJYWBJXJJ-LLVKDONJSA-N 414.303 4.653 0 1 HJAF Fc1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1Br 587008586 ZATNJYLFZPVQNH-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF CCOC(=O)Cc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587042357 SQRZFMHBCYVZFM-UHFFFAOYSA-N 414.552 4.726 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(Br)c2[nH]1 587043873 WLPIUXLNLHPDCP-ZDUSSCGKSA-N 408.708 4.634 0 1 HJAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cnc3ccccc3c2[nH]1 587167057 GRTYBZYTDKTVDJ-UHFFFAOYSA-N 424.482 4.780 0 1 HJAF C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553966 CAKOAUTVIMAFKL-QVKFZJNVSA-N 404.315 4.826 0 1 HJAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601895 GCUOIIFRJUARBS-MYKFYBCOSA-N 422.477 4.950 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCC1)Oc1ccccc12 587610878 QXZLXYXZRSVBPG-BWKNWUBXSA-N 400.430 4.955 0 1 HJAF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622248 GXFPSXVSVABFQE-UHFFFAOYSA-N 422.641 4.893 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587738493 OXACRJZUVNXOHY-ODXCJYRJSA-N 422.317 4.520 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587743737 PMYOLIUFJCXIGI-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C3OCCO3)c2)N1 587832724 KOZKCYPFDBKPMM-FZKQIMNGSA-N 420.322 4.842 0 1 HJAF CC(=O)c1ccc2c(c1)[C@H]([C@@H]1CC=CC[C@@H]1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635085 TXYVYMPMVPDUEM-KGSNELEXSA-N 413.514 4.779 0 1 HJAF [O-][n+]1cccc(-c2cn(CCCCCCOc3ccccc3-c3ccccc3)nn2)c1 1772644506 DFLASERIDWXXJN-UHFFFAOYSA-N 414.509 4.885 0 1 HJAF CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c3c(=O)[nH]ccn23)c1 1857594882 BBACDMDIGLLXBW-UHFFFAOYSA-N 409.392 4.632 0 1 HJAF Clc1ccc(-c2cnc([C@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)s1 2356342543 VHIGPYUXYSBXAD-GOSISDBHSA-N 410.930 4.913 0 1 HJAF COc1ccc(NC(=O)c2nc(C)c([C@]3(C)CC(c4ccccc4)=NO3)s2)cc1 13478242 AGUJIMPYMUZLNS-QFIPXVFZSA-N 407.495 4.752 0 3 HJAF COCCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2cc1OC 13490853 IKJSPGLWRVPNAW-UHFFFAOYSA-N 422.510 4.839 0 1 HJAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc2ccccc2c1 29347436 RUIOMSMIWCEYGG-YGOYIFOWSA-N 412.618 4.819 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410841 XZGUOAXOYPYCGD-GCADWMCMSA-N 400.607 4.645 0 1 HJAF CCCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2 34315666 LQNMOMCXQSKGPX-UHFFFAOYSA-N 408.518 4.727 0 1 HJAF CCNc1ccnc2sc3c(=O)n(-c4ccc(Br)cc4)ccc3c12 35284750 MUPZFNJRWTYJIF-UHFFFAOYSA-N 400.301 4.795 0 1 HJAF Nc1ccc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@H]2c2cccc(O)c2)cc1 49808052 ZHWJPDULTKWIKS-HSZRJFAPSA-N 417.896 4.897 0 1 HJAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5Cl)cc4=O)cc31)CNCC2 64559656 MXCZQUAKSZJPJC-UHFFFAOYSA-N 424.331 4.949 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 101640669 RHUFFIATLNQZDB-KXBFYZLASA-N 401.528 4.915 0 1 HJAF CC(C)(C)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)c1nccs1 149226947 BFGOIWIWBOJNLX-LBPRGKRZSA-N 407.845 4.650 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccccc2)n1 166581067 QOFWEFQLAAVPSJ-QAPCUYQASA-N 408.523 4.937 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(N2CCCCC2)c1 167534471 QXRWNWHIOABJLL-GHTZIAJQSA-N 408.542 4.804 0 1 HJAF O=c1c2cc(OCCCN3CCCCCC3)ccc2nc2n1CCCc1ccccc1-2 299834412 XSSSDRLEDOFMQY-UHFFFAOYSA-N 417.553 4.655 0 1 HJAF FC(F)(F)Sc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967464 YKQOFLKVSPCQEL-UHFFFAOYSA-N 409.418 4.912 0 1 HJAF Nc1nc(C(F)(F)F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586986574 NIOANEUSMKZKQK-UHFFFAOYSA-N 413.380 4.876 0 1 HJAF Fc1cnc(Cl)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587116304 CIZCRULGAIOHMF-UHFFFAOYSA-N 408.186 4.739 0 1 HJAF COc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1 587149486 TWWLQXZGSJVAMO-UHFFFAOYSA-N 419.172 4.963 0 1 HJAF C[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328724 CBQGRLGHAACZKL-KNQAVFIVSA-N 400.352 4.789 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)O2 587380647 WVJQOPOPZPQHAC-OAHLLOKOSA-N 403.866 4.679 0 1 HJAF COc1cc(OCc2ccccc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401847 ZCWIHJKLZKAOLK-QFIPXVFZSA-N 419.477 4.880 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(OC)c1)CC2=O 587455384 BDXYBLOOIPPCAJ-HXUWFJFHSA-N 405.288 4.996 0 1 HJAF Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510599 WHLNPGHSEWICBV-MRXNPFEDSA-N 401.388 4.642 0 1 HJAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F 587556892 PHDSDPVEGZDBTF-UTKZUKDTSA-N 414.360 4.705 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2OC(F)F)N1 587719075 PGZSRKMAULYBCO-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF CCCn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753752 BQKXGWJFJGQQCQ-BUXKBTBVSA-N 402.311 4.972 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587802566 MYZSLEYGULPUCS-WSVYEEACSA-N 414.322 4.766 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C 587869234 DOAHYXQDLYPVMY-SGMGOOAPSA-N 412.481 4.520 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1cc(N3CCC[C@H](C)C3)ccc1N)N(C)[C@H](C)C2 962571077 OPHJJLAHPWFHDD-DFXHWTJYSA-N 423.601 4.662 0 1 HJAF COc1cccc([C@@]2(c3ncccc3C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962623763 KVKREEGWXYBSJG-DWXRJYCRSA-N 418.537 4.584 0 1 HJAF Cc1nc(-c2ccccc2)c([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962719324 XQUPTVPFDGXOMB-FUHWJXTLSA-N 402.441 4.854 0 1 HJAF CCCCCCOc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963231915 SDWNTTDXYWTTEE-ZEQRLZLVSA-N 404.510 4.882 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]21CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 963260539 XZFRMOROKAISCJ-HSZRJFAPSA-N 420.981 4.891 0 1 HJAF C[C@H](N)C[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817121 JNVOHLXCRFLQQA-PPHZAIPVSA-N 411.549 4.874 0 1 HJAF Cc1ccc(-n2c(C)nnc2-c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1 1857562524 DHRIDKDAONJZLF-QGZVFWFLSA-N 415.541 4.665 0 1 HJAF COc1ccc(-c2nn(-c3ccccc3)cc2-c2ccccc2-c2n[nH]c(=N)o2)cc1 1857595373 WQKKPIYUVOFPAL-UHFFFAOYSA-N 409.449 4.677 0 1 HJAF O=C1Nc2ccc(Cl)cc2C1=CNCCCNc1ccnc2cc(Cl)ccc12 1857622588 SOMOXIQLDGUEIX-UHFFFAOYSA-N 413.308 4.926 0 1 HJAF Cc1cc(C)c(NC(=O)CCN2CC[C@@]3(C)c4cc(O)ccc4C[C@@H]2[C@@H]3C)c(C)c1 1911574655 MZLQKYRJXIVJPQ-RQADYFSKSA-N 406.570 4.870 0 1 HJAF CC(C)=C1C[C@H]2O[C@H]3CC(=O)O[C@@]4(CC[C@@]5(C)[C@H](C(=O)C[C@H]5c5ccoc5)[C@]24C)[C@@]13C 2356390209 UFKBHGSCOKYVMC-OTNSQFOGSA-N 424.537 4.958 0 1 HJAF CC1=C(C[C@]23CCC[C@@H]4C[C@H](C)C[C@H]([C@H](CO)C2)N43)C[C@H]2CCC(=O)c3ccc1n32 2356467015 ZWUTTYKUKCHEPH-MISFDYNISA-N 408.586 4.977 0 1 HJAF CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@H]3CNCC2CC2)nc(-c2ccncc2)n1 2356852697 QSPFCQDIAKPJTJ-VABKMULXSA-N 419.617 4.620 0 1 HJAF O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccn1 4172267 NJISHQWUFSGDBB-GCYXNMHMSA-N 404.469 4.505 0 1 HJAF CCc1ccccc1NC(=O)[C@@H](C)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 6916477 OJPCXVQZBYDLEM-GOSISDBHSA-N 414.509 4.566 0 1 HJAF Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cc3)ncc12 13641487 RMNWLVFFWRBNQK-UHFFFAOYSA-N 403.530 4.949 0 1 HJAF COCc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1 28769241 GCDPFPMXIZHXTB-UHFFFAOYSA-N 411.380 4.518 0 1 HJAF CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)Sc2ccccc2S3)cs1 40466889 SJXAQHYZDLZYKV-UHFFFAOYSA-N 414.533 4.928 0 1 HJAF CS(=O)(=O)c1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 43016391 CAZFILKGZKZPEU-NRFANRHFSA-N 413.495 4.681 0 1 HJAF C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1-c1cscn1 43198046 KZYADSWFDHYKII-JTQLQIEISA-N 407.890 4.851 0 1 HJAF CCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F 82150516 UHSBHUAXHDGEPK-UHFFFAOYSA-N 410.468 4.606 0 1 HJAF COc1ccccc1Cn1cc(Sc2ccccc2OC)c2c(C)nc(N)nc21 95592833 GSJOATINBBRERU-UHFFFAOYSA-N 406.511 4.539 0 1 HJAF COc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO 103234969 DHNROHLTOMTHLE-IIBYNOLFSA-N 400.540 4.547 0 1 HJAF NC(=O)c1sc2c(c1N)[C@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 104046375 HRORRCBLIMMWJD-ZDUSSCGKSA-N 407.882 4.632 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 104075999 AUZQKMRCHHZRGA-UTKZUKDTSA-N 413.489 4.992 0 1 HJAF Cc1nc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n1 117306226 VRHPWTXAFBFMAY-OTVXOJSOSA-N 414.859 4.556 0 1 HJAF CC[C@@]1(C(=O)Nc2cc(Cl)cc(C#N)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C 142541494 PQHWESMCVOIHAA-WAIKUNEKSA-N 409.917 4.846 0 1 HJAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@H]3C)n(C)n1 204917283 KOVPEGOTJHKICH-GFCCVEGCSA-N 419.920 4.643 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@H]4[C@H]3C2=O)cc1 263596925 GECBHJXRQAUPDJ-ZYOFANERSA-N 400.478 4.737 0 1 HJAF CS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586927712 WYAPNLHHCUGBLB-UHFFFAOYSA-N 408.323 4.671 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)c(Cl)cc2[nH]1 586985621 WPXNZWVKIGRHPL-KRWDZBQOSA-N 406.711 4.707 0 1 HJAF COC(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1 587046544 IUDPKINDAQYQPJ-VMPITWQZSA-N 415.877 4.612 0 1 HJAF FC(F)(F)c1cc(Cc2nc3c(S)nc(S)nc3[nH]2)cc(C(F)(F)F)c1 587109596 GQXKDJBVWLWPJZ-UHFFFAOYSA-N 410.368 4.559 0 1 HJAF Cc1cccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c12 587220162 QEMBUIMQMFLKMS-IBGZPJMESA-N 423.513 4.961 0 1 HJAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587530395 UGNTVZVJLBYADT-MHZLTWQESA-N 424.452 4.717 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Br)c1 587559649 YJYZNMJHSDOMMG-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF CCCn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587580536 YOEIZERIHDLNOV-NFBKMPQASA-N 400.434 4.855 0 1 HJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C 587584009 YCUZPKZWYFXWMN-SQJMNOBHSA-N 412.445 4.804 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cn2)N1 587680012 GLQJLBCIEZQQQO-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587694165 OOPYVAKJOFFWDU-HUTHGQBESA-N 414.702 4.970 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)F)c2)N1 587721050 VHFUYSRZZBOXLC-XTZNXHDOSA-N 400.238 4.987 0 1 HJAF COc1ccc2c(c1)cc([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)n2C 587760621 ZKOQXUJIKUMKEA-YBTHPKLGSA-N 403.295 4.712 0 1 HJAF CCOc1cc(C(C)=O)c(OCC)n1-c1cnc2cc(Br)ccc2c1 587942154 ZPBSLAPCRRWNJZ-UHFFFAOYSA-N 403.276 4.788 0 1 HJAF O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12 653777830 HOHXYGPGGGWJOT-UHFFFAOYSA-N 419.488 4.723 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(CCN(Cc3ccccc3)CC1(C)C)N(C)[C@H](C)C2 962637936 OJZGSBYOWLKWQH-NIYFSFCBSA-N 408.586 4.708 0 1 HJAF Cc1nc(-c2ccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)s2)cs1 962729420 IEEUDGTZSCYNIV-DYVFJYSZSA-N 408.470 4.915 0 1 HJAF C[C@@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@@H](c2ccccc2Cl)C1 1772569810 IQRDNJXZWCVKSM-LSDHHAIUSA-N 411.937 4.851 0 1 HJAF O=C(Nc1cc(F)nc(F)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2c1CCC2 1772612164 QHSGQAKKMRXZOI-UHFFFAOYSA-N 423.250 4.652 0 1 HJAF CC(=CCCC1=CC(=O)N(CC(=O)O)C1)CCC=C(C)CCC[C@@H](C)CC(=O)O 2356801750 RRRHZSGMGCCIPP-LJQANCHMSA-N 405.535 4.574 0 1 HJAF COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2C)cc1 3797447 ZBCRNIFALVNVKY-CRAIPNDOSA-N 420.475 4.585 0 1 HJAF in-vivo O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc(Cl)c1 13725208 UTIMORNHEWNENA-UHFFFAOYSA-N 401.938 4.917 0 1 HJAF CN(C(=O)Cc1cs/c(=N\c2cc(Cl)cc(Cl)c2)n1C)c1ccccc1 29124793 PCWSXZXNYABNIA-QOCHGBHMSA-N 406.338 4.831 0 1 HJAF CCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1 40640884 SGZYUFKADITQIX-UHFFFAOYSA-N 410.359 4.756 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC[C@@H]3CCc4ccccc43)ccc21 59615068 XEWSCTNYVZPRMA-FQEVSTJZSA-N 417.549 4.922 0 1 HJAF NC(=O)c1sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c1N 64513608 CGLWOYZEXHQOFV-UHFFFAOYSA-N 405.323 4.682 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82134080 DDXDPEHBHSZZPK-UHFFFAOYSA-N 400.526 4.796 0 1 HJAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2OC)cs1 82195360 AMBPMLCGDRXQTF-INIZCTEOSA-N 407.605 4.659 0 1 HJAF CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)CC1 82216400 DSWACHBAMXPMRT-ROUUACIJSA-N 410.537 4.637 0 1 HJAF CCOc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](C)N(C)CC3)cc1Br 84733050 UZOGCWQTUIIRKJ-CYBMUJFWSA-N 403.320 4.649 0 1 HJAF COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)c3ccc(C[C@@H]4CCCC4=O)cc3)c2c1 504603859 XATWXFCYPQTKPK-PXNSSMCTSA-N 418.537 4.551 0 1 HJAF biogenic Ic1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027981 KKWOFXSTBWFMGU-UHFFFAOYSA-N 403.248 4.958 0 1 HJAF Fc1c(F)c(F)c(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1F 587134138 IXZFKBNQVDYPNG-OWOJBTEDSA-N 408.099 4.725 0 1 HJAF Cc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br 587196326 QPTLPBAGUGLEAN-ZDUSSCGKSA-N 424.339 4.550 0 1 HJAF CC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O 587207973 ZNXXGGKDMVYMOH-HSZRJFAPSA-N 407.425 4.865 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1 587330977 GQIWOHWHUOKTBE-CVDCTZTESA-N 412.363 4.846 0 1 HJAF COc1ccc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587348845 HRDINFJRNAEKFK-VWNXMTODSA-N 408.425 4.823 0 1 HJAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351050 HQJDGXOXXRSLPE-ISKFKSNPSA-N 424.424 4.724 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1cccc(Br)c1C2 587548149 SKKGJMNJSAFLHB-DENIHFKCSA-N 423.262 4.654 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Br)c1 587568976 GSWPWRSIPGRWEO-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF C[C@@H](Oc1ccccc1F)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655322 BQMGMYAYSRSIHN-CYBMUJFWSA-N 424.378 4.589 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cn2)N1 587714351 PLGGKZSNTAYTEI-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1 587763288 JAUMOKUSJIBKHL-FKIZINRSSA-N 400.295 4.612 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798116 NWPMRUNCDXYSGJ-LHSJRXKWSA-N 420.322 4.546 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc2ccccc2s1 587864663 RLYDLCPAIUJKOA-UHFFFAOYSA-N 403.385 4.876 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(OC)cc1 587864883 RXUCBCGPCFXHOJ-UHFFFAOYSA-N 419.403 4.729 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cn2cncn2)cc1 587866838 QLDOLZFJYVIWTM-UHFFFAOYSA-N 413.403 4.597 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(Br)c(Cl)n1 963289676 QHWUBNVYADBJPX-CQSZACIVSA-N 416.544 4.837 0 1 HJAF FC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3C[C@H]4C[C@H]3CO4)c2)n1 1772582950 QQOBSVMMXJMYHJ-RBUKOAKNSA-N 412.415 4.884 0 1 HJAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356320278 SICLGLNLBXTMLQ-YTFSRNRJSA-N 413.606 4.597 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)c1 61904440 HTODRGYHNZZDJI-QFIPXVFZSA-N 416.493 4.826 0 3 HJAF O[C@@H](CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccccc12 13491124 QIIWIJVYPXMMIG-QFIPXVFZSA-N 403.551 4.695 0 1 HJAF Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CCN(CCNC(=O)N(C)C)CC1 13731250 BYYHVUKATBOAAS-UHFFFAOYSA-N 422.548 4.664 0 1 HJAF COc1ccc(CNC(=O)c2cc(-c3[nH]ncc3-c3cccc(Cl)c3)c[nH]2)cc1 14959165 KGJRXQASMIVWCI-UHFFFAOYSA-N 406.873 4.664 0 1 HJAF CC(=O)NCCCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 26248566 VCMTXJPNKTUQMS-ISKFKSNPSA-N 413.512 4.581 0 1 HJAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12 28006718 FJUJIAPJEKDAAL-NAAPSUTFSA-N 416.650 4.721 0 1 HJAF COc1ccc(OC)c(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)c1 28015753 XWCRFOTXRYVUDS-UHFFFAOYSA-N 406.558 4.638 0 1 HJAF CC(=O)N(C)c1ccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)ccc2c1 28950890 RHXWKDDCBZMTOZ-PMACEKPBSA-N 408.571 4.792 0 1 HJAF CCCCN(C)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29478912 QJLNDXCIAVNLFJ-UHFFFAOYSA-N 409.486 4.660 0 1 HJAF COc1ccc(-c2nnc([C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC 49807903 LWVBXKIXQMFBBJ-HSZRJFAPSA-N 410.470 4.625 0 1 HJAF COc1cc(-c2ccc3ncnc(NCc4ccc(C)o4)c3c2)cc(OC)c1OC 66157201 LOOGGNDDJMAXON-UHFFFAOYSA-N 405.454 4.836 0 1 HJAF Nc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1 72316608 BOMFDVKNDSZEQA-UHFFFAOYSA-N 400.526 4.837 0 1 HJAF O=C(NCc1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccccc12 84758495 IDBJLYWZHYFNRO-AREMUKBSSA-N 420.512 4.723 0 1 HJAF OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95874543 CPGJSWPJIQFYIV-YTFSRNRJSA-N 418.503 4.531 0 1 HJAF O=C(O)CCC[C@@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100364075 GFHAWTCVNUKBFU-QHCPKHFHSA-N 412.507 4.829 0 1 HJAF COc1ccc(/C=C/c2cc(=O)c3ccc(I)cc3o2)cc1 103199534 UGBAFTALWAJNML-XBXARRHUSA-N 404.203 4.577 0 1 HJAF CC[C@@H]([C@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303304 CIJXDSNTGMSJOR-KKSFZXQISA-N 407.480 4.862 0 1 HJAF Cc1noc([C@@H]2CCN(c3cccnc3Oc3ccc(Nc4ccccn4)cc3)C2)n1 138953458 KPZPDJBOZMYHRI-QGZVFWFLSA-N 414.469 4.698 0 1 HJAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)oc2c1 168596056 MUQFYDGAOIVMMO-INIZCTEOSA-N 411.461 4.934 0 1 HJAF CC[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169093545 ZOJYMCBGKBJTGD-JAXLGGSGSA-N 412.618 4.912 0 1 HJAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H]2O1 238746169 DQDZRAFQWKGBTQ-NHCRCRMRSA-N 406.563 4.826 0 1 HJAF COc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1Cl 586919059 XXMJAZKDDLRUDG-UHFFFAOYSA-N 412.873 4.742 0 1 HJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586962767 HKUURSPWVQAYMT-JTQLQIEISA-N 419.379 4.659 0 1 HJAF COC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 586998550 MOFJLMGESWYXNX-YRNVUSSQSA-N 424.254 4.937 0 1 HJAF CSc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999727 HKMMASWBCOZZRT-UHFFFAOYSA-N 403.257 4.526 0 1 HJAF Oc1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016466 WIDAIYGHKDOBHH-UHFFFAOYSA-N 414.284 4.756 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)c(Br)ccc3[nH]2)s1 587023865 VTLZDRIGOMKGAG-UHFFFAOYSA-N 411.281 4.502 0 1 HJAF COc1ccc(-c2nc3ccc(I)cc3[nH]2)c(C(F)(F)F)c1 587097136 FLVIYLDITVYGKI-UHFFFAOYSA-N 418.156 4.862 0 1 HJAF C[C@@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343444 BZKSIZCLJMHXHL-UPVQGACJSA-N 400.409 4.749 0 1 HJAF CCCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587350074 RBVQMFRMQSWKPO-DHLKQENFSA-N 417.436 4.690 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)c(Cl)cc(Cl)c1O 587548741 XQQWRYRYAALQSV-VBKZILBWSA-N 419.216 4.813 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(F)cc(F)cc12 587566883 BALHAFHMYAFTME-CVDCTZTESA-N 410.372 4.700 0 1 HJAF Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Cl 587656203 CVOYJUGUOVKJPY-AWEZNQCLSA-N 424.863 4.571 0 1 HJAF CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587701421 BTYNMCNGOYPFRK-JPLVQPFMSA-N 416.640 4.997 0 1 HJAF Cc1cccc(-n2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587764401 PLMZOKHMWSJCDH-SPLOXXLWSA-N 414.322 4.880 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)no2)N1 587794538 MZRSEZQAGCBCPQ-ODXCJYRJSA-N 417.278 4.779 0 1 HJAF COc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC 587928222 YOOFCQZILJFXQJ-UHFFFAOYSA-N 415.209 4.952 0 1 HJAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCCN1CCCC1 1772602457 GWVKNWGBCFHQGD-FYWRMAATSA-N 408.542 4.992 0 1 HJAF CCC(=O)N[C@@H](C)c1ccc(CN2CCc3c(Br)cccc3C2)cc1 1772613070 UMFLBFPVWJXLKD-HNNXBMFYSA-N 401.348 4.595 0 1 HJAF CC(C)=CCC[C@]1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)cc1)CC3=O 1857539789 TZJYPEVSQZANSZ-LSQMVHIFSA-N 408.494 4.900 0 1 HJAF CCN(CC)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12 1857571454 UJLKKXFXFLBALR-UXBLZVDNSA-N 416.903 4.907 0 1 HJAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(C4CCS(=N)(=O)CC4)cc23)c1 1857592502 UEEDJMGXVHPZNQ-FUMIUFTASA-N 408.571 4.766 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]3C1(C)C 2356384851 CVMAUJSKSKXOQX-FSAAUPEVSA-N 416.558 4.650 0 1 HJAF CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)CC=CC(=O)O)[C@H]21 2356397268 LLLDEXYDMUTZRN-ZLYCAGHZSA-N 404.547 4.521 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(F)c3)n2)c1 61907897 HVAIVGPFTQRKKA-IBGZPJMESA-N 402.466 4.652 0 3 HJAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@@H](O)CC)cc1 774643 MBKAYSSUCUKOOW-HNNXBMFYSA-N 414.889 4.561 0 1 HJAF O=c1cc(NCCCN[C@@H]2CCOc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 3925578 LDVHYSXDEADTAT-QGZVFWFLSA-N 418.324 4.750 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Nc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@@H]1CC[C@@H]2O 6482632 CDGIYWNEIDGTBY-NIEWPCQPSA-N 409.549 4.952 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Nc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@H]1CC[C@@H]2O 6482661 CDGIYWNEIDGTBY-NBBWDSKESA-N 409.549 4.952 0 1 HJAF CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@@H](CC)Cc1ccc(C(C)(C)C)cc1 26656542 GVTQVJCNZQGOEE-ZZTDLJEGSA-N 404.639 4.574 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)Cc3ccccc3)cc21 29474306 NQDSUQRGOJEZPK-UHFFFAOYSA-N 414.461 4.578 0 1 HJAF Fc1cccc2c(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)[nH]nc12 36176922 NQEUWNINQFWRML-UHFFFAOYSA-N 418.520 4.700 0 1 HJAF CN(C)C12CC(=O)NC([C@H](c3ccc(Cl)cc3)C1)[C@H](c1ccc(Cl)cc1)C2 40576556 UYXHIZLUTYUOHZ-CDNGDFIJSA-N 403.353 4.844 0 1 HJAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCC[C@@H]31 68249178 GDZSNXWVJTWWHH-DEOSSOPVSA-N 411.505 4.591 0 1 HJAF Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C 82176632 FSBIFXVDCAZZHJ-UHFFFAOYSA-N 412.493 4.919 0 1 HJAF CN1CCC(Oc2ccc3cc(-c4cccc(C(F)(F)F)c4)c(=O)oc3c2)CC1 84713504 YBRUUAQYHRHEST-UHFFFAOYSA-N 403.400 4.952 0 1 HJAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccc4ccccc4n3)CC2)c1 95566736 VCAHNVKIOIJCJG-UHFFFAOYSA-N 416.472 4.773 0 1 HJAF c1cc2c3cnc(Nc4ccc(C5CCNCC5)cn4)nc3n(C3CCCC3)c2cn1 117683060 OIJRETQRRUTHKW-UHFFFAOYSA-N 413.529 4.700 0 1 HJAF C#Cc1ccc(C2CCN(C(=O)c3cc(C(=O)NC)c(C4CCC4)cc3C)CC2)cc1 149257446 UMDPFPDHXXRUPB-UHFFFAOYSA-N 414.549 4.623 0 1 HJAF CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)[C@@H]1C(=O)CC(C)(C)CC1=N2 169690599 SCLFJRBWWBVSIU-LSDHHAIUSA-N 401.557 4.555 0 1 HJAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccccc3Cl)cccc2c1 206116752 ABSMIWMYWIPYHY-UHFFFAOYSA-N 401.900 4.813 0 1 HJAF O=C(O)c1ccccc1CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 299837836 RYDBIMKKLHFVHG-UHFFFAOYSA-N 401.506 4.533 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587025249 GCIUINPTMQZJLZ-BPUTZDHNSA-N 400.935 4.748 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587039796 FWSLLCKCHLQNBR-HIFRSBDPSA-N 414.403 4.558 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(Cc1ccccc1)C(=O)C3 587103821 BFJMZTZNENTVRO-UHFFFAOYSA-N 404.469 4.574 0 1 HJAF COC(=O)c1ccnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587140900 IFOCLSHVWZUQDQ-UHFFFAOYSA-N 411.433 4.982 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174085 LWFWFKWAFXKWHQ-UHFFFAOYSA-N 408.614 4.964 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2c1 587196983 FSFCFYLSGVUSAM-GFCCVEGCSA-N 416.319 4.720 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)O2 587395191 LLHXAJNLJODMEW-UQBPGWFLSA-N 422.525 4.706 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1N1CCCC1)[C@@H](C2)C3=O 587413279 MJWCSXLRAJUSRT-KKSFZXQISA-N 414.299 4.547 0 1 HJAF Cc1cccn2c(Br)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 587497239 LYBYJWRUXYWAPB-KRWDZBQOSA-N 411.299 4.991 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Br 587541418 UMSPBRXASWBZKD-OXJNMPFZSA-N 413.223 4.563 0 1 HJAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC 587599413 XGYOALATBFRVBS-HYBUGGRVSA-N 406.434 4.893 0 1 HJAF CCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 587622603 DJNXBZMIRUQIGS-SECBINFHSA-N 407.312 4.955 0 1 HJAF O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C(F)(F)Oc1ccccc1 587658136 HWKRPFUSEZQKGO-UHFFFAOYSA-N 410.351 4.515 0 1 HJAF O=C(c1cc2c(s1)CCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660312 AMESCUSBZIHNEJ-UHFFFAOYSA-N 404.466 4.831 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1 587729672 CRNZFFDHEOOLNX-PRWKNARSSA-N 418.285 4.751 0 1 HJAF CCCCC[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587760047 WVJPOJYZNRHUDZ-ZUOKHONESA-N 408.359 4.988 0 1 HJAF COc1ccc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cc1O 587786646 NAHMBCRKQFVBNZ-UHFFFAOYSA-N 400.413 4.936 0 1 HJAF CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC 587803917 YHPXCSQIRRXXAC-FKIZINRSSA-N 408.311 4.928 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)s2)N1 587853460 NGHVQYRVIVERFT-UOWDBTKRSA-N 420.145 4.605 0 1 HJAF CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C 587954684 AVMJYCHOXUQFNE-GOSISDBHSA-N 401.532 4.912 0 1 HJAF Cc1nccnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 653680472 RJKCFZMQZBFJEI-UHFFFAOYSA-N 417.490 4.772 0 1 HJAF COCOc1ccc([C@@]2(c3ccccn3)c3cc(OC)ccc3CCN2C(C)C)cc1 962085819 BHFGITTZFYTJFH-SANMLTNESA-N 418.537 4.631 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1ccc(OCCN3CCCCC3)cc1)N(C)[C@H](C)C2 962643568 XMUCNVWXDRFAAK-BCHFMIIMSA-N 424.585 4.534 0 1 HJAF CC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1C[C@H]1Cc2cc(F)ccc2C1=O 1857537491 SNFJJJRFTPKSIV-IBGZPJMESA-N 408.880 4.615 0 1 HJAF CNC(=O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857750698 HFJCMPJDRHSXPA-SUAWWAITSA-N 401.591 4.879 0 1 HJAF COc1cc([C@@H]2CC[C@@H]3[C@@H]2CC[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356640650 LBLYRBKCMMKANA-XLAORIBOSA-N 414.498 4.820 0 1 HJAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@H](C(C)(C)O)CC[C@@]2(C)C=C[C@@H](C)C1 2356654124 OGZZCBZNOLKSNJ-ZXGZILTRSA-N 406.563 4.586 0 1 HJAF C[C@@]1(C(=O)NCc2ccccc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61927260 COJARECHZVRWRM-QFIPXVFZSA-N 412.411 4.777 0 3 HJAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccc(OC(F)(F)F)cc1 61929631 AYTVLLSRJGIDCY-NRFANRHFSA-N 415.415 4.737 0 3 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 1623090 RYMZZMVNJRMUDD-KZZVUNABSA-N 418.574 4.586 0 1 HJAF O=C(Nc1nnc(-c2ccccc2)o1)[C@@H](SC(=S)N1CCCC1)c1ccccc1 1658298 CGTJIVDKIZSKBK-KRWDZBQOSA-N 424.551 4.530 0 1 HJAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 2480409 ICMNKNCJSHMPJN-UHFFFAOYSA-N 408.498 4.907 0 1 HJAF CCN1c2ncc(CN(C)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841378 LXYRIXWPXWAGJA-UHFFFAOYSA-N 407.905 4.514 0 1 HJAF COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(c1cccc4cccnc14)C3)CO2 13589032 NDBSQHOHKNHYKI-HKBOAZHASA-N 414.505 4.704 0 1 HJAF N=C(Cc1c(Cl)cccc1Cl)NC(=S)NCCc1ccc(Cl)cc1 26286339 BNXOLLBMZBCGFS-UHFFFAOYSA-N 400.762 4.873 0 1 HJAF COc1cc(OC)c([C@@H]2[C@@H](C)[C@@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 33831921 WCERJEZPIONOJU-FLDRYPHZSA-N 416.514 4.891 0 1 HJAF endogenous,in-man CCC[C@]1(C(=O)Nc2cccc(F)c2)CCc2c(c3ccccc3n2CC(=O)O)C1 40833933 AFTBBFIEVKZIFC-DEOSSOPVSA-N 408.473 4.779 0 1 HJAF Cc1c(CN2CCN(C(=O)Nc3ccc(Cl)nc3)CC2)sc2ccccc12 43120192 BXTBIXFOCPSARH-UHFFFAOYSA-N 400.935 4.608 0 1 HJAF O=C(O)c1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 58651329 RVYHOKLRSZIEPF-OAQYLSRUSA-N 404.397 4.578 0 1 HJAF O=C1OCc2cc(-c3ccc(/C=C4/CCN(Cc5ccccc5)C4=O)s3)ccc21 73223350 QGHCFFJQOWWHKM-AQTBWJFISA-N 401.487 4.901 0 1 HJAF COc1cccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)c1 82078409 AVFAYQCJENJKRC-UHFFFAOYSA-N 400.482 4.694 0 1 HJAF COc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2 100968236 AQZKOCOTDHBMJV-AETLAYLHSA-N 422.544 4.928 0 1 HJAF CCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)cc3)n2)cc1 299850193 BDXJLBIZTFCXIJ-UHFFFAOYSA-N 413.481 4.543 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 586962866 ZZMWUIVVBJKEFS-CCKFTAQKSA-N 415.946 4.911 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cc(Br)c2[nH]1 586971933 BPFOICKDPTXYHW-QGZVFWFLSA-N 418.360 4.744 0 1 HJAF Cc1c(F)ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587007033 UWKDZOLMLSLITO-UHFFFAOYSA-N 412.262 4.650 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(F)cnc(Br)c2[nH]1 587044963 YJYHCWBYDBMFQT-UHFFFAOYSA-N 421.053 4.851 0 1 HJAF Cn1ncc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587345236 YWWPWISUTSJREJ-ISKFKSNPSA-N 402.425 4.692 0 1 HJAF CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C1 587350179 RHOGJRIXYPUKMQ-SFIOMYMLSA-N 412.457 4.628 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCc1ccccc1 587399956 OBJVHUDUCOZNOG-NRFANRHFSA-N 419.477 4.880 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1)[C@@H](C2)C3=O 587425992 JMTKPFKEWPIHEI-MBSDFSHPSA-N 404.393 4.688 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccs4)c(OC)c1)[C@@H](C2)C3=O 587453742 YVCSBJMLOABVAK-GAJHUEQPSA-N 408.475 4.833 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](CCc1cncc(Br)c1C)CC2=O 587458526 KMAZXZDBUSVMBU-CQSZACIVSA-N 404.304 4.777 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cc(O)ccn2)c1 587589421 VOLMHCGKSCFWFF-WIOPSUGQSA-N 411.413 4.863 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N)N1 587679815 ODYSLFRIUMURFM-ZKANADHPSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 587709446 MVPHHVCKNVQDTO-ABKXIKBNSA-N 416.212 4.957 0 1 HJAF CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587716698 JRCQBSHYKJHHPC-APBUJDDRSA-N 410.258 4.613 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743960 QJJYGLCGFSAYDQ-QKKBWIMNSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCN(Cc3ccccc3)C2)N1 587758172 BTRAFZKDSRCSHU-FXCLAUTBSA-N 417.366 4.860 0 1 HJAF C[C@H]1CN(Cc2ccccc2)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587758281 CTAVYMYMWJLFGH-DMPWYTOCSA-N 417.366 4.860 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)OC(C)(C)C)CC2)N1 587791197 JCZNOIFQKUOVEY-CIQOGTPDSA-N 412.343 4.850 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794873 VMNZIFMRMJGXOL-FVINQWEUSA-N 423.326 4.844 0 1 HJAF Cc1csc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850394 DRDBIGLDYNGOHY-DYZYQPBXSA-N 406.324 4.767 0 1 HJAF COc1ccc(-n2cc([C@]3(C)NC4(CC4)Cc4ccc(Br)cc43)cn2)cc1 961612168 FCIGWMLGCXGDRP-NRFANRHFSA-N 424.342 4.585 0 1 HJAF CC(C)c1nn(C)c2c1[C@H](C1=Cc3cc(Cl)cc(Br)c3OC1)NCC2 962923481 ZEWXVLXMQHTBNU-SFHVURJKSA-N 422.754 4.622 0 1 HJAF CCCC[S@](=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N 1772609123 MWJPYCGSQKOHES-MHZLTWQESA-N 414.581 4.972 0 1 HJAF CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1 1772611961 FXIMMOHKNCBHMQ-INIZCTEOSA-N 422.481 4.826 0 1 HJAF C[C@H](NC(=O)OCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 1772635859 ABNFRXRJDVMBND-HNNXBMFYSA-N 422.435 4.745 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H]1O[C@H]2[C@@H](C)[C@@H]1C 2356640929 WNZPXAXGHBMGPR-GTXVLXIYSA-N 416.470 4.500 0 1 HJAF COc1cc(CC[C@@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)ccc1O 2356654829 LTROEBZFOSNZKT-JTHBVZDNSA-N 420.546 4.947 0 1 HJAF Cc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)o1 12303123 MIAFTFNPJDOMBU-UHFFFAOYSA-N 406.530 4.583 0 3 HJAF CCOc1ccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1 103702162 SCJURSDCVHZCEY-UHFFFAOYSA-N 416.525 4.974 0 3 HJAF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4080898 XKKAPFKIFDHEJS-FYYLOGMGSA-N 422.887 4.930 0 1 HJAF C=CC1=C(C)[C@@H]2C[C@H](O)[C@H]3[C@](C)(C(=O)O)[C@@H](OC(=O)CC(C)C)CC[C@]3(C)[C@@H]2CC1 13483118 WPAPOTTYBLXJHT-ZGFPXTRISA-N 418.574 4.745 0 1 HJAF biogenic FC(F)(F)c1cc(CO[C@H]2OCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1 13755697 FUQXMZQIUQTJPV-DLBZAZTESA-N 405.338 4.928 0 1 HJAF COc1ccccc1CN(Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1C 26286463 OEPAFRCKJPELEP-UHFFFAOYSA-N 410.539 4.582 0 1 HJAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cscc3Br)cc2)C[C@@H]2CC[C@H]1N2C 28131833 AKZNIBWGGYEGKL-OSGQAZFXSA-N 420.372 4.917 0 1 HJAF COc1ccc(Cn2cnc3c(-c4ccco4)nc(OCc4ccccc4)nc32)cc1 28877799 AAABEDOGIAVGCE-UHFFFAOYSA-N 412.449 4.722 0 1 HJAF Cc1ccc(-c2nc(NC(=O)CCc3ccccc3F)cc(-c3nccs3)n2)o1 29041618 OECFCZUHCVYOCI-UHFFFAOYSA-N 408.458 4.879 0 1 HJAF O=C(Nc1ccc(F)cc1F)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45323682 FTJQZEKNRLAPGN-CQSZACIVSA-N 402.832 4.567 0 1 HJAF Cc1cccc([C@H](NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)c1C 71333081 MIVLRLAUTVRYHU-QHCPKHFHSA-N 402.494 4.736 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C[C@@H](O)c1cccc(F)c1O2 96286115 KIZOHGMVJGYGDL-QGZVFWFLSA-N 424.394 4.727 0 1 HJAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)CC/C=C/I)N3C)cc1 100911815 WPOWYXAYIRKXTG-BTMMMGNPSA-N 423.338 4.859 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258967 XYEYHPJZKJCLOW-INIZCTEOSA-N 409.404 4.856 0 1 HJAF c1ccc(CCc2noc(-c3sc4ccccc4c3OC3CCNCC3)n2)cc1 169307403 URHQGRFJYKNFJF-UHFFFAOYSA-N 405.523 4.867 0 1 HJAF CCOc1ccc(S(=O)(=O)N2CC[C@H](n3cc(C)c4cc(Cl)ccc43)C2)cc1 169699806 SKMNJYKOKQVDLM-KRWDZBQOSA-N 418.946 4.638 0 1 HJAF Cc1ccc2ncc(S(=O)(=O)c3cc(F)cc(F)c3)c(N3CCC(C)CC3)c2c1 201537126 KFJIPTIZODUBKD-UHFFFAOYSA-N 416.493 4.891 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3nn(C)c4ccccc34)c12 225374264 LJJRENIONCCAPC-UHFFFAOYSA-N 424.464 4.945 0 1 HJAF C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 227180080 SDIQZUPBYGTTRC-NTZNESFSSA-N 416.831 4.804 0 1 HJAF CCN1CCN(CCC=C(c2sccc2C)c2sccc2C)C[C@H](C(=O)O)C1 299867041 PRRDPNJUFXZHRP-GOSISDBHSA-N 418.628 4.587 0 1 HJAF COc1ccc(-c2cc(CNC(=O)NC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)no2)cc1 473159269 XDRYHMMDAVDHBG-XARYMXHKSA-N 409.530 4.898 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C2 586888675 XDORWTQTKGJQRN-GUBZILKMSA-N 415.209 4.863 0 1 HJAF O=c1c(-c2nc3cc(Cl)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006368 HQYCXNGBPWZICD-UHFFFAOYSA-N 414.690 4.856 0 1 HJAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cs1 587014078 JDGUOAFZSHIVSU-UHFFFAOYSA-N 414.409 4.610 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(Br)ccc2[nH]1 587147210 GIPMFLGDTOVFHI-UHFFFAOYSA-N 407.193 4.810 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587191939 PLERTDNFVGQGHD-INIZCTEOSA-N 406.408 4.933 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cccnc3NCc3ccccc3)nc1-2 587230285 RKNNLFRRWDEAMN-UHFFFAOYSA-N 404.783 4.651 0 1 HJAF COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587250511 XPTBSVQJCCGZSD-UHFFFAOYSA-N 400.198 4.910 0 1 HJAF CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353478 ZOIXPBXSOXLBCQ-XZDHIHRUSA-N 412.457 4.772 0 1 HJAF C/C(=C\[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587379313 XXBRGLLLJGNNMB-QTAANCCMSA-N 424.497 4.708 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN(C(C)C)C(C)C)c1)[C@@H](C2)C3=O 587428565 KCXWLDZVRSYBDT-NBGIEHNGSA-N 409.526 4.811 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(F)c4)c(OC)c1)[C@@H](C2)C3=O 587429131 SUWBCXMAGFEGLK-UQBPGWFLSA-N 420.436 4.911 0 1 HJAF COc1ccc([C@]2(CCn3ccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515093 JHIKHXUXRLDVCT-VWLOTQADSA-N 402.494 4.722 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(C(F)(F)F)c1 587549869 SEPOXBLUJAVPJG-YLJYHZDGSA-N 402.324 4.820 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)cc2)N1 587751670 AKGYGZGRGYPPJV-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF COc1cccc2c1OCC([C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 587836163 RZNBSJKJQBDPOF-QKVFXAPYSA-N 418.306 4.822 0 1 HJAF CC1(C)CCc2ccccc2[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962676067 XKKMLGCAAQKISW-UIOOFZCWSA-N 400.522 4.549 0 1 HJAF C[C@]1([C@H]2C[C@H](N)c3ccccc32)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961122 QTUHZYRXKYWQRT-JAXLGGSGSA-N 416.487 4.759 0 1 HJAF CC[C@@]1(c2cccc(C(F)(F)F)c2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963217932 BBVJYFIDWDSXOE-RXVVDRJESA-N 418.390 4.645 0 1 HJAF CCCC[S@](=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)[nH]3)c2c1N 1772593885 PKWNVJACGRHTKQ-MHZLTWQESA-N 417.585 4.608 0 1 HJAF CCC(=O)Nc1cc2c(Nc3ccc(Oc4cccnc4)cc3)ncnc2cc1OC 1772599387 VIVGTLWPQZQFPV-UHFFFAOYSA-N 415.453 4.918 0 1 HJAF CC(C)(C)c1cc(C(=O)Nc2ccccc2C(=O)NCCCN)cc(C(C)(C)C)c1 1772610519 VZMPUMZTLMGWCR-UHFFFAOYSA-N 409.574 4.613 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCc3ccccc3)cc12 1857608646 HGLFGUZSTAYHRO-WJQBNGMASA-N 402.538 4.968 0 1 HJAF CN(C)c1ccccc1C[S@](=O)c1nc(-c2ccccc2)cn1Cc1ccccc1 13746231 KMKUAXDQDSZBTM-SSEXGKCCSA-N 415.562 4.972 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 26389652 KFZWDYQMBIYWFQ-ZUYAZALLSA-N 402.623 4.769 0 1 HJAF COc1ccc(Cl)cc1-c1c(CCCO)c(=O)[nH]c2ccc(C(F)(F)F)cc12 26671868 PAIVOEWXSFIYQU-UHFFFAOYSA-N 411.807 4.801 0 1 HJAF COc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 26948850 JUNSASVZVKBFQH-SBRWTRJKSA-N 422.569 4.547 0 1 HJAF Cc1ccccc1O[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28130975 AGLOLGURRWOWKK-QHCPKHFHSA-N 407.558 4.769 0 1 HJAF CCCCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28345174 NTIRFMIDBRRSFJ-UHFFFAOYSA-N 404.495 4.818 0 1 HJAF O=C(c1ccc2[nH]ccc2c1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 28872265 BPCAYLDHVPCKPF-VWLOTQADSA-N 413.496 4.854 0 1 HJAF COc1cc(O)cc2c1C(=O)O[C@H]2CCCCCCCCCC(=O)CC[C@@H](C)O 34002566 OROJAERRGGSBPD-UZLBHIALSA-N 406.519 4.853 0 1 HJAF biogenic COP(=O)(OC)[C@H](OC(=O)COc1cc(C)ccc1Cl)c1cccs1 35259321 NWZNUUGHFOBCSF-INIZCTEOSA-N 404.808 4.817 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189708 WTMPZTOIYURJBE-MEYLZYJUSA-N 402.623 4.867 0 1 HJAF C[C@H]1CN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)CCO1 66252535 KTXPJZIHPQLTIA-HNNXBMFYSA-N 401.432 4.983 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 73224488 FYWWYKVAMYGPAT-UHFFFAOYSA-N 409.501 4.573 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CCc2ccccn2)cc1 82179292 PGWJCVGQDKGSKE-UHFFFAOYSA-N 400.530 4.583 0 1 HJAF CCCC[C@H](CC)CNC(=O)CNc1nc(-c2cccc(NC(C)=O)c2)cs1 82193777 DXRSTSLPXGYFET-INIZCTEOSA-N 402.564 4.513 0 1 HJAF CCN(CC)CCOc1cccc(Nc2nc(C)cc(-c3ccc(OC)cc3)n2)c1 95577112 HQUQLJVAHDCYGM-UHFFFAOYSA-N 406.530 4.925 0 1 HJAF CC(C)c1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167682972 PCBRCMSRGDFXFH-UHFFFAOYSA-N 401.510 4.615 0 1 HJAF CC[S@](=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 206895707 ULVQOPPBCYXVIF-LJAQVGFWSA-N 418.469 4.741 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@@H]1C(C)=CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 238740686 DYTUXZFSCGIMIU-FDGCDDQTSA-N 420.590 4.669 0 1 HJAF Nc1cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cnc1O 299868546 RSFAXMXMHBFBPB-UHFFFAOYSA-N 414.343 4.898 0 1 HJAF CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473097931 DRHBLXHMGABRON-MRXNPFEDSA-N 401.923 4.910 0 1 HJAF CCOC(=O)[C@H]1CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993236 VOGKAHFZXXXWMW-INIZCTEOSA-N 401.462 4.771 0 1 HJAF Nc1c(-c2nc3cc(Br)cnc3[nH]2)sc2cc(Br)ccc12 587030273 CFEGMYYDMXUFGJ-UHFFFAOYSA-N 424.121 4.947 0 1 HJAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587350636 KWNRBMZLHPHCOK-LADGPHEKSA-N 408.425 4.823 0 1 HJAF O=C(O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352674 NGEDCUQYAOJAMD-LADGPHEKSA-N 406.409 4.651 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCC(C)C)[C@@H](C2)C3=O 587416556 CZNQQRLKMCMVJA-KKSFZXQISA-N 417.299 4.981 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccccc4F)c1)[C@@H](C2)C3=O 587426467 OKCKRFHUKYKBNF-AVRWGWEMSA-N 420.436 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C(c4ccccc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454365 SXHPMTDMIITNAM-RXFWQSSRSA-N 412.441 4.867 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC 587694189 OXGHCJTYHPQUHO-HUTHGQBESA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccn(C)n3)c2)N1 587764110 NYXIPCOCZOIUIS-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF C[C@@H]1CCC[C@H](N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)C1 587772284 ZPNCHQXIXHHUII-INMHGKMJSA-N 409.387 4.992 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794055 SNMVDJARNUSUIS-FVINQWEUSA-N 423.326 4.673 0 1 HJAF COc1cccc(C[C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587809926 RVNZJXCOCLTXRB-ASSNKEHSSA-N 404.323 4.979 0 1 HJAF COc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2 587830310 DQSGZDBHKYWGRE-ZDCWMAILSA-N 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COc1ccc(C2=NN(C(C)=O)[C@H](c3c(C)nn(-c4ccccc4)c3Cl)C2)cc1 64415667 RSLVKZLMAHKMHO-FQEVSTJZSA-N 408.889 4.540 0 1 HJAF CCCN(CCC)c1c(OC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12 72119693 SRVOXYMGPZGQQZ-UHFFFAOYSA-N 403.914 4.770 0 1 HJAF O=c1nc(N(Cc2cccnc2)c2cccnc2)oc2c(-c3ccccc3)cccc12 95561841 HRPXZEBRNMBBBD-UHFFFAOYSA-N 406.445 4.983 0 1 HJAF O=c1nc(N(Cc2ccncc2)c2cccnc2)oc2c(-c3ccccc3)cccc12 95561950 ZTWZMBNRYGNRRP-UHFFFAOYSA-N 406.445 4.983 0 1 HJAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cscc3Br)cc2)C[C@@H]2CC[C@@H]1N2C 168431480 AKZNIBWGGYEGKL-QXGSTGNESA-N 420.372 4.917 0 1 HJAF CC[C@@H](C)Cn1c(C(C)(C)C)nc2cc(S(=O)(=O)c3ccnc(F)c3)ccc21 169310798 FDJGWSOCJLZQPS-CQSZACIVSA-N 403.523 4.747 0 1 HJAF C[S@](=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3cccc4c3OCCC4)n2)c1 218918335 CJEPQTSCKKXACU-LJAQVGFWSA-N 412.490 4.528 0 1 HJAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905301 JXRJROAXJVAVLT-UHFFFAOYSA-N 413.886 4.766 0 1 HJAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(F)c3[nH]2)C[C@H](C)O1 586967782 DYVPHWVNEVVRGJ-KBPBESRZSA-N 423.517 4.551 0 1 HJAF CCCOc1ccccc1[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338788 ROLQEGGCBWKGSX-ZCYQVOJMSA-N 421.468 4.533 0 1 HJAF CCCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411543 DFTVWVDXDIAESX-FOIQADDNSA-N 403.272 4.735 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OC)c1O)CC2=O 587457495 IWNXIHZUMOYUEE-INIZCTEOSA-N 407.260 4.528 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COCC(F)(F)F)o1 587546466 JZZOIAOCQDRSLG-YLJYHZDGSA-N 420.339 4.767 0 1 HJAF C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554081 GVLFGGZTXLEVLE-ZSEKCTLFSA-N 422.305 4.965 0 1 HJAF Cc1cc(C)c2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 587610228 PMPUAGBBKVWWNX-NLFFAJNJSA-N 414.413 4.818 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cs1 587612974 LWAJLYWAVRIVKV-QAPCUYQASA-N 403.253 4.919 0 1 HJAF Cc1oc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587684644 ZJNGBTNZRGHZLT-KWKYVRJSSA-N 403.089 4.876 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]2(c3cccc(F)c3)CCOC2)N1 587735631 YHWFQTOHZNPRSP-BYYRLHKVSA-N 408.286 4.661 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795401 IUPOTUBRCZJZER-SZNDQCEHSA-N 420.322 4.546 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587832598 ZKUVBAOXWYYVKV-XCLFUZPHSA-N 406.295 4.539 0 1 HJAF CCc1ccc([C@]2([C@H]3CCC[C@H]3C(=O)O)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614179 WRJIFGYHGWTUFQ-CTDFBYRASA-N 423.553 4.545 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CC[C@@H](C)CC1 1772570048 IUOJSKMOBHZXOM-CQSZACIVSA-N 412.534 4.753 0 1 HJAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc([C@H]4CC[S@](=N)(=O)CC4)cc23)c1 1857570820 UEEDJMGXVHPZNQ-PCNYRWPCSA-N 408.571 4.766 0 1 HJAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2nc[nH]c2c1 1857582462 ZLMBSLZGPFVFHS-UHFFFAOYSA-N 424.508 4.532 0 1 HJAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)NC[C@@H](O)CO 1857622003 HZLZMAKGSBGAAI-XFJNLHFBSA-N 401.591 4.934 0 1 HJAF 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587724009 DIOKABGSTOGNRY-MLCYQJTMSA-N 400.238 4.695 0 1 HJAF Cc1ccnc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587758736 XYOYNDTXVRBGII-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF CCCn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759809 VPWFRKWZHXTAGV-HXPMCKFVSA-N 402.311 4.972 0 1 HJAF COc1ccc([C@H](C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653767420 PKXJFNBVHHSFBK-RBZFPXEDSA-N 402.462 4.873 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccncc3)nc(Cl)c2C)s1 653782784 ZWNVQEUYBPXKNJ-HZPDHXFCSA-N 415.950 4.701 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1sc3nc(C)cc(C)c3c1N)N(C)[C@@H](C)C2 962635968 VJWLFENJGPSZCT-LFVRLGFBSA-N 411.571 4.652 0 1 HJAF C[C@@]1(c2cc3ccc(F)cc3oc2=O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962694883 FHQVAFPZEXIEEZ-MWTRTKDXSA-N 413.489 4.698 0 1 HJAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC[C@H]2CCCO)c1 2356397287 LXHMXYRWGMCGCZ-HFMPRLQTSA-N 420.590 4.935 0 1 HJAF CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1 3819859 BAONEWWKELUVQJ-UHFFFAOYSA-N 404.436 4.998 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc(OCC)c1 4055526 GLBDKMVDGQYKQZ-FPOVZHCZSA-N 400.906 4.747 0 1 HJAF COc1c(OC/C=C(\C)CCC=C(C)C)cc(O)c2c1[C@@H](OC(C)=O)[C@@H](C)OC2=O 13480361 BFVQDTCEZTWFDK-HUHNKFEGSA-N 418.486 4.635 0 1 HJAF O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@H](O)CN1CCCCC1 13529144 ABTCTTLEGJUQEQ-HSZRJFAPSA-N 417.549 4.881 0 1 HJAF CN(CCc1ccc(O)cc1)Cc1ccccc1C(=O)NCCCCc1ccccc1 13589154 CVJSRKUSEDZMDT-UHFFFAOYSA-N 416.565 4.819 0 1 HJAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1 13601613 SLKXASVZRYFIDY-FQEVSTJZSA-N 424.287 4.539 0 1 HJAF COc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(-c2ccc(CC(C)C)cc2)c1 13782454 BQSXQTQIKFVINS-UHFFFAOYSA-N 414.527 4.966 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCCN(C)CC3)cc2n2cncc12 13860331 HIEYQVDWMVWKRZ-UHFFFAOYSA-N 420.948 4.730 0 1 HJAF Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 26378053 PHGNPTHVQLHDIB-UHFFFAOYSA-N 418.522 4.539 0 1 HJAF CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 29405201 FKCJAHWZNWPXCZ-UHFFFAOYSA-N 404.555 4.954 0 1 HJAF CCCCCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189692 DEHQNTITQNDAJK-KJQPUYDFSA-N 402.623 4.867 0 1 HJAF COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)c1 38279885 BKPXVOPBTDLMSN-MRXNPFEDSA-N 405.292 4.882 0 1 HJAF COc1cccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 95561384 PUHYFBVVUMFVNP-UHFFFAOYSA-N 414.912 4.867 0 1 HJAF OC[C@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 95878530 KHZFHAVWRUEQAM-GPUOULLFSA-N 406.476 4.981 0 1 HJAF O=C(Nc1ccc(OCc2cccc(F)c2)cc1)C1CCN(c2ccncc2)CC1 96285732 LOTZYKMVNTUWFD-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF COc1cc([C@H]2c3c(c(O)n(-c4ccccc4)c3O)ON2c2ccccc2)ccc1O 169687504 BVVXOUGYIKKZFE-NRFANRHFSA-N 416.433 4.506 0 1 HJAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1cccc(-c2cccnc2)c1 169728358 CPLQNDJXFBQSLA-GOTSBHOMSA-N 402.494 4.739 0 1 HJAF CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 206766812 YCBNWPADSVBZNL-LJQANCHMSA-N 413.565 4.782 0 1 HJAF C[C@H]1c2ncn(-c3ccc(F)cc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 218543360 QTQJIORCBXHVQF-LBPRGKRZSA-N 421.369 4.929 0 1 HJAF CC1(C)[C@H]2c3cc([C@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O[C@@]3(C)CC[C@@H]1[C@@H]23 238784461 IJVOVAHXZFALHZ-CMANBFOWSA-N 422.477 4.811 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1 586920958 AQAXOPRNMYEJEW-UHFFFAOYSA-N 418.305 4.906 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 586971944 BYZKGGMHBOELFS-INIZCTEOSA-N 422.323 4.575 0 1 HJAF O=C1CCc2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc2N1 587000525 HOXLWLMGFCZQNO-UHFFFAOYSA-N 422.282 4.942 0 1 HJAF Nc1nc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cs1 587021989 SBBIBWIPKNQECY-UHFFFAOYSA-N 406.696 4.747 0 1 HJAF FC(F)(F)Oc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119816 GONHGYVWGNVCOO-UHFFFAOYSA-N 404.314 4.604 0 1 HJAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(OC)cc4F)cc3F)nc2cc1OC 587152022 JMTXMDBFHZMQOC-UHFFFAOYSA-N 424.403 4.979 0 1 HJAF CN(C)Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587378097 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C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCC2)N1 587816069 SWMGLLWOMSHHQD-YEJXKQKISA-N 402.307 4.979 0 1 HJAF Cc1ccncc1[C@]1(c2ccc(C(F)(F)F)cc2)NCCc2c1c(C(C)C)nn2C 962924904 XLZCZGUZUYOUKA-QFIPXVFZSA-N 414.475 4.703 0 1 HJAF COc1cccc(CO)c1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772633891 AIUUYNDDJLVWRW-KRWDZBQOSA-N 417.914 4.879 0 1 HJAF Cc1cc(Oc2ccc(/C=C3\SC(=O)N(CC(=O)O)C3=O)cc2)cc(C)c1Cl 1857641408 LFSBCBBSWOKDJZ-SXGWCWSVSA-N 417.870 4.870 0 1 HJAF O=c1c2c([nH]c3ccccc13)[C@@H](c1ccco1)N(c1ncc(-c3ccccc3)cn1)C2 1857759451 XGSBDPNAFAFBKJ-HSZRJFAPSA-N 406.445 4.688 0 1 HJAF COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1ccc(C)o1)CC2 11762277 UQXQIBBQTFGTNY-UHFFFAOYSA-N 404.510 4.726 0 3 HJAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCCC(C)C)C1 5056233 XMBLJBUFBUCVJE-GOSISDBHSA-N 403.954 4.678 0 1 HJAF Cc1c(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C 13737551 MFNYEEHXLOMCLT-UWJYYQICSA-N 423.538 4.714 0 1 HJAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(N)=O)CC1 20806864 VKPLGASLWOZHOP-DLBZAZTESA-N 414.590 4.828 0 1 HJAF CCCCOc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@@H](C)c2c[nH]cn2)cc1 26274687 XLBRUJBDIBWMNI-SFHVURJKSA-N 419.591 4.921 0 1 HJAF CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 28885432 LAWQVFOUDYBHOB-UHFFFAOYSA-N 417.465 4.614 0 1 HJAF CCCCc1ccc(/N=c2/scc(CC(=O)Nc3ccc(OC)cc3)n2C)cc1 29124767 JSVNGNJUCDZGCI-WJTDDFOZSA-N 409.555 4.851 0 1 HJAF O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1 35983886 JZLOFCLTDFXBCB-UHFFFAOYSA-N 408.820 4.772 0 1 HJAF CCC[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1 38246309 PBLZCVAOCGJMDC-WMQCIHAUSA-N 418.474 4.953 0 1 HJAF Clc1nc(Sc2ccccc2)c2ncn([C@@H]3CNc4ccccc4CO3)c2n1 66079848 SVJYIEOXACGIQO-INIZCTEOSA-N 409.902 4.772 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 82141195 QJVHYKPHJQOLDU-QGZVFWFLSA-N 406.505 4.774 0 1 HJAF c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCN2CCCCC2)cc1 82189983 JFVNVHJLXSOPKI-UHFFFAOYSA-N 418.570 4.653 0 1 HJAF Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)cc1 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Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccs1 587615701 XNSCZIYJAJLCDW-DENIHFKCSA-N 404.447 4.557 0 1 HJAF COc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F 587622671 QZJGNJTXIMDTSO-UHFFFAOYSA-N 420.213 4.930 0 1 HJAF CC(C)(C)[C@H]1CCc2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2C1 587652982 ANRQHEHSABDLKF-AWEZNQCLSA-N 400.931 4.951 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)nc2)N1 587680229 HWKWDTBKXYPDCP-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12 587701299 AYCCKBDHLSJVFO-YYSFKGJASA-N 410.670 4.544 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OC(F)(F)F)c2)N1 587723795 XWJICWWYBGLIMV-VPTHRUTESA-N 420.200 4.816 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3F)CC2)N1 587725842 GSLHOBFBKGTVIT-CYBMUJFWSA-N 407.302 4.757 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2F)N1 587727673 OTWQZUJBJJVOIE-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C 587769917 PAWSQZGQSQFXOR-CFMSYZGJSA-N 405.311 4.600 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794482 VGDMEEQLCYSWQI-WVDJIFEKSA-N 423.326 4.673 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCC2)N1 587816070 SWMGLLWOMSHHQD-ZSEKCTLFSA-N 402.307 4.979 0 1 HJAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1cc2cnccc2c(Br)n1 587941488 PJLKNGICHCSQHX-UHFFFAOYSA-N 416.662 4.915 0 1 HJAF Ic1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587958885 LGBXLAKMUMIGGZ-UHFFFAOYSA-N 411.246 4.820 0 1 HJAF CSCc1cnc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)s1 962629897 CUVQHNYBVHBNEP-DENIHFKCSA-N 407.608 4.842 0 1 HJAF CCC(C)(C)[C@]1(c2cccc(OC)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237776 UJKSNYPMYSAEAW-WIOPSUGQSA-N 404.510 4.522 0 1 HJAF CC1(C)C=Cc2cc(CN(C3CCC3)S(=O)(=O)c3ccc(F)c(F)c3)ccc2O1 1772619276 LNEIHIZVZBFUQP-UHFFFAOYSA-N 419.493 4.892 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(C(F)(F)F)ccc3C)C2)cc1 1772625709 IXTDHMNRNXRANE-MGPUTAFESA-N 406.448 4.869 0 1 HJAF O=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccccc2)nc2sccn12 1857570614 FLBPJGDEPGERQY-UHFFFAOYSA-N 405.870 4.528 0 1 HJAF O=C1CS(=O)(=O)[C@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1 6040335 WVCZBVOCPXGWIU-OAQYLSRUSA-N 413.882 4.593 0 1 HJAF CCN(CC)CCn1c(-c2ccccc2)nc2c(NCc3ccccc3)nc(C)nc21 7991863 UIOKPNBWOIIWQT-UHFFFAOYSA-N 414.557 4.756 0 1 HJAF COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1cc(OC)c(OC)c(OC)c1 13585520 WXGRJUOKJYCCFN-UHFFFAOYSA-N 407.875 4.785 0 1 HJAF CC(=O)OCCCC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26740760 UCEYHMZSUCQQIR-SANMLTNESA-N 414.505 4.974 0 1 HJAF C[C@H](CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823213 IJJGIPBZVZVSCS-CYBMUJFWSA-N 420.333 4.819 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](CC(C)C)C(=O)O)cn1 34717819 PZBKYICTVQFMDF-FQEVSTJZSA-N 408.498 4.956 0 1 HJAF FC(F)(F)c1ccc(O[C@H]2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1 40406902 GLFZIVKBXLWTMQ-XEMDLRDOSA-N 404.436 4.663 0 1 HJAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82188708 CNVZMCFLYWWKLS-QUCCMNQESA-N 406.578 4.650 0 1 HJAF CC(C)(C)CCNC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169715236 ZUVAZIQGZTUPNE-JDPJUJRCSA-N 400.607 4.811 0 1 HJAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2)c(-c2ccsc2)c1 299829259 UKHYSLZGWKPPEA-UHFFFAOYSA-N 402.479 4.951 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586915165 BJFFBFZYFDQMBD-WYRIXSBYSA-N 421.241 4.820 0 1 HJAF O=C(O)Cc1c(-c2ccc(F)c(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986892 QRFBEVCSIMNNKE-UHFFFAOYSA-N 417.367 4.724 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(F)c(F)ccc4[nH]3)cc2cc1Br 586998814 PBRKSFGGEBWMFC-UHFFFAOYSA-N 421.197 4.776 0 1 HJAF COC(=O)c1cc(Br)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1 587034354 SZBVMUWVGUEULC-VIFPVBQESA-N 405.317 4.965 0 1 HJAF Clc1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040360 HJNNMWGMDBOKBP-HUUCEWRRSA-N 408.752 4.925 0 1 HJAF O=c1ccc(-c2nc3cc(Cl)ncc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052548 URCSQWALBZUXAH-UHFFFAOYSA-N 405.672 4.795 0 1 HJAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587065709 XUFVBXSGPXIPBR-UHFFFAOYSA-N 419.293 4.733 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(F)c2[nH]1 587111893 BSFMNOSHWCZQPC-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 587474055 CMJMDVCNPIRBQN-AQKDONEWSA-N 403.519 4.714 0 1 HJAF CCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587485180 JJUNEVNDOFYAKK-NRFANRHFSA-N 402.512 4.625 0 1 HJAF COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510518 LABQHVWSCYUKPW-GYCJOSAFSA-N 417.546 4.609 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1O 587553078 DQLGOJSRRGVXJS-OXJNMPFZSA-N 418.323 4.699 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)o1 587615493 XPVYETQPRQZLLW-GHTZIAJQSA-N 418.430 4.629 0 1 HJAF C[C@@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622426 MWSCKPKTTQAMIM-MRVPVSSYSA-N 402.223 4.801 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)nn2C)N1 587767291 XZDIWBNXYHQWRL-FKIZINRSSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587770334 PVNIZUQNEQVOHE-PZSREKOKSA-N 413.331 4.563 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C3OCCO3)c2)N1 587832722 KOZKCYPFDBKPMM-ACJLOTCBSA-N 420.322 4.842 0 1 HJAF CSc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587846321 QOCPMJVHBAPEIQ-OVWNDWIMSA-N 424.335 4.705 0 1 HJAF CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc1c23 653720676 SCLWEFFBMBFBRS-UHFFFAOYSA-N 421.305 4.928 0 1 HJAF COc1cc2c(cc1OC)[C@](c1cc(C)ccn1)(c1ccccc1OC)N(C)[C@@H](C)C2 962616736 BLGMXILKICOSSP-QYBDOPJKSA-N 418.537 4.584 0 1 HJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccnc(Br)c1F 962719254 YOQJFQYTAOGCEA-PIGZYNQJSA-N 411.315 4.575 0 1 HJAF COc1ccc2c(c1)c([C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)cn2C(C)C 962761227 HFIHYPLVJYADKE-TZIWHRDSSA-N 416.443 4.966 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@](CCc1cccc(F)c1)(c1ccc(F)cc1)NCC2 962933351 UOBPCKVJTKXJCU-SANMLTNESA-N 420.503 4.689 0 1 HJAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34CC[C@@H](C)C4)nc(Cl)nc21 963929362 VAWXMINUYGFHOL-JLCFBVMHSA-N 411.937 4.844 0 1 HJAF CN1CCN(Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)CC1 1772648308 FOJVFAYWSUBOLV-UHFFFAOYSA-N 401.341 4.594 0 1 HJAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1cccs1 1857601324 CBUUZEZSULWAIV-OAHLLOKOSA-N 407.417 4.881 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356308263 GTCXMCSEJGCQHK-ZRBLBEILSA-N 422.569 4.913 0 1 HJAF C[C@H](CCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356345667 XIVYAVYHUZLGIV-XARADAHVSA-N 416.599 4.794 0 1 HJAF O=C1CCN(Cc2ccccc2)CCN1[C@H](COc1ccccc1)c1ccccc1 12474605 NWTOEJOXTIBRMM-RUZDIDTESA-N 400.522 4.541 0 3 HJAF O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 61904598 CKTVYBZLZBSSBI-IBGZPJMESA-N 409.873 4.948 0 3 HJAF O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61905040 HIXKVYXXRJDSCF-GOSISDBHSA-N 402.347 4.849 0 3 HJAF O=C(O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc21 3940827 HODBWQCCKYDYPY-NRFANRHFSA-N 402.494 4.668 0 1 HJAF in-vivo CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3CCc2ccccc2)c1 4883042 FAFGIPQTHULIJD-CWAQXLGLSA-N 405.542 4.639 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@@]6(C)[C@@H]5C[C@@H](O)[C@@]43C)N2C1 8681650 AANKDJLVHZQCFG-CSJJXXCMSA-N 413.646 4.626 0 1 HJAF CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C 13782436 SXJGXXYFAALWIZ-UHFFFAOYSA-N 413.543 4.999 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@]1(O)c3ccc(O)c(CC=C(C)C)c3O[C@@H]21 14780973 ZAAKSBRPXNODLV-DQEYMECFSA-N 408.494 4.829 0 1 HJAF biogenic CN(C)CCOc1ccc(/C(=C(/CCO)c2ccccc2)c2ccc(O)cc2)cc1 14978674 MZLLOCKOYWOFPI-QPLCGJKRSA-N 403.522 4.674 0 1 HJAF COc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Br)s2)cn1 28130403 FPULTEMSSLVQMG-UHFFFAOYSA-N 411.325 4.538 0 1 HJAF CC1(C)CNC(c2cccc(-c3ccc(-c4cccc(C5=NC(C)(C)CN5)c4)o3)c2)=N1 28457370 LLFGBTPBWKKYOA-UHFFFAOYSA-N 412.537 4.870 0 1 HJAF CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)CO)CCCCO 28472376 KPNVBWQBPOZTHS-NYRVLBJMSA-N 422.606 4.637 0 1 HJAF O=C1N(Cc2ccccc2)[C@@H]2CS[C@@H](CCCCCO)[C@H]2N1Cc1ccccc1 28769734 BYQGXFAPJUCLFA-VJBWXMMDSA-N 410.583 4.530 0 1 HJAF O=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CC[C@H](N2CCCC2)C1 45339384 QRZWUPXCLYWBIP-NRFANRHFSA-N 407.945 4.653 0 1 HJAF O=C1CC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)Oc2c(F)cccc21 96286121 IAAPPNVCPZAONL-UHFFFAOYSA-N 422.378 4.876 0 1 HJAF O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100101346 YRZVXCBYBSYUAM-HSXSLMHZSA-N 413.496 4.968 0 1 HJAF COc1ccc2c(c1)sc1nc(-c3ccc([123I])cc3)cn12 102888224 GZXSLRKLKMEROV-HHRLKWFBSA-N 402.250 4.829 0 1 HJAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc(Oc2nccs2)cc1 167691981 FTHSKHDDVKRQCI-QGZVFWFLSA-N 410.495 4.816 0 1 HJAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(/C=C/C(C)(C)O)O[C@@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C 238744135 DWFVTYSPFRBHTG-ILHIBVPQSA-N 410.510 4.887 0 1 HJAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2cc(O)c4c(c2)C=CC(C)(C)O4)CO3)O1 238757098 JMJCGYRWPLXSED-MRXNPFEDSA-N 420.461 4.825 0 1 HJAF COc1cnc(N[C@H]2CC[C@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1 261161146 QXGKJBPWIZWABK-WGSAOQKQSA-N 421.520 4.585 0 1 HJAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586963307 ZQHJBGZPYXWJEA-YFKPBYRVSA-N 423.342 4.532 0 1 HJAF CCOc1cc(/C=C/c2nc3cccc(C(=O)O)c3[nH]2)cc(Br)c1OC 586978385 QGUDOIPQZLAJNH-BQYQJAHWSA-N 417.259 4.601 0 1 HJAF O=N[C@H](C(=O)Nc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987911 VGJYUOWBFDCNGJ-QFIPXVFZSA-N 409.401 4.598 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)cc1N 587004906 CMNBGBFKCCUCFI-UHFFFAOYSA-N 414.694 4.872 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587007292 ZJLZVHOWXLBQIL-UHFFFAOYSA-N 404.651 4.685 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)ncc3[nH]1)N2 587030587 GCJUNZFCZLBGBN-JHFYRWCBSA-N 405.936 4.738 0 1 HJAF CC(=O)c1ccc(-c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc2F)cc1 587139488 LQFYAZSYLDBYCM-UHFFFAOYSA-N 400.335 4.999 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159699 ULHPJRJXPJXREN-UHFFFAOYSA-N 420.469 4.502 0 1 HJAF O=c1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172123 WHLQABOCZNHCER-UHFFFAOYSA-N 407.207 4.860 0 1 HJAF Cc1nc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2cc1Br 587245336 WAMIAENBXLZHPY-UHFFFAOYSA-N 407.271 4.948 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccco3)CC2)[C@H]1c1ccc(F)cc1 587347175 TWVLLHJBHZPJGX-QFIPXVFZSA-N 407.441 4.518 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(I)cc1)O2 587385432 CYUCNPBQYHPJTI-IBGZPJMESA-N 421.278 4.539 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3nn(-c4ccccc4)cc3C=O)o1)O2 587392641 UQHSVGRCLKHHNM-JOCHJYFZSA-N 413.433 4.542 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)O2 587402394 ZZXIAOCPHSOQBO-NRFANRHFSA-N 408.498 4.577 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C(=O)OC)cc3)n1)CC2=O 587489769 WCZLYUIHPXQWCT-QHCPKHFHSA-N 417.461 4.900 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccccc1OCOC)CC2=O 587492867 YEVREAGSPDWBKM-RUZDIDTESA-N 419.477 4.631 0 1 HJAF O=C1C[C@@H](C2(c3cccc(Br)c3)COC2)Oc2c1ccc1c2CCCC1 587507044 ZZCXMXYYFFTBTK-FQEVSTJZSA-N 413.311 4.630 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N)N1 587675946 BWJHLRDJHXLTAH-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(O)c(Cl)cc32)N1 587694005 FWGXFSVABHROGM-LZVRBXCZSA-N 412.686 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)F)cc2)N1 587716164 ISNPBERBXWYYMB-MLCYQJTMSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1 587728659 BDBQVTCJLWPPSH-LRTDBIEQSA-N 421.329 4.505 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1 587735568 XUBPXPMPARBCHC-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587763231 XYGKBYIDRUKKRQ-PONJGIIJSA-N 417.366 4.860 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2ccccc12 587867620 LINRDZDSHZKTIX-UHFFFAOYSA-N 412.371 4.518 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@@H]2c3ccsc3CCN2Cc2ccco2)cc1OC 962715028 SSMVHUODNAACON-QHCPKHFHSA-N 421.522 4.896 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)c(OC)cc2Br)N1 962944774 FISSCNVMBHIGJM-GIPWTMENSA-N 401.304 4.658 0 1 HJAF Cc1ccc([C@H](C)C[C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963155958 ZOEFMCOBKUCJGT-KCPJHIHWSA-N 406.504 4.526 0 1 HJAF c1cc(OCc2ccc(-c3nnn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1 3790824 AWHSQBQAQBXRMH-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF Cc1cccc(C)c1NC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 8602505 NXFWKXXUDRTVAA-UHFFFAOYSA-N 401.466 4.756 0 1 HJAF CCOc1c(C)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1 13487787 ZOIGAVPWPQQJCV-UHFFFAOYSA-N 411.571 4.961 0 1 HJAF CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C)C[C@@H]2C)cc1 13862289 BNEAXOWTFLKGSP-YADARESESA-N 409.574 4.656 0 1 HJAF CCCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)no1 26380630 VAQPBZIQESPOFL-UHFFFAOYSA-N 403.873 4.879 0 1 HJAF CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(N3CCCC[C@H]3CCO)nc21 26475098 CMZCHRPQVPCQAP-KRWDZBQOSA-N 414.941 4.546 0 1 HJAF O=C(O)C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1 26743754 CPGOAJGOPMOMRT-ZIAGYGMSSA-N 421.292 4.604 0 1 HJAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1 27085212 BCFMCGFHHXOKEM-UHFFFAOYSA-N 400.809 4.819 0 1 HJAF O=c1[nH]c2ccc(-n3ccnc3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 28604110 LQASNXUEIMNWOU-UHFFFAOYSA-N 423.520 4.848 0 1 HJAF O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1 29056511 OWLHXXQEBCXCEF-QKDODKLFSA-N 412.577 4.701 0 1 HJAF in-vivo COC(=O)c1ccccc1Nc1nc(-c2cccs2)nc2cc(OC)c(OC)cc12 31910095 BKCBNZWMXPIXSQ-UHFFFAOYSA-N 421.478 4.906 0 1 HJAF CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccccc5)ccc4c3=O)cn2)C1 36351534 DYRNKMXKRHDTNQ-OAQYLSRUSA-N 411.505 4.662 0 1 HJAF COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)nc3)c2cc1OC 40393337 DDJPNYBAIMMFRO-UHFFFAOYSA-N 415.449 4.621 0 1 HJAF c1ccc2c(c1)c1c(n2CCCN2CCCCC2)CN(CCCc2ccncc2)CC1 40631528 BVHSBJDVWQILPE-UHFFFAOYSA-N 416.613 4.903 0 1 HJAF Cn1c(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc2ccccc2c1=O 40866523 NXQSUKTZOSVMPT-QFIPXVFZSA-N 414.896 4.943 0 1 HJAF Cc1onc(-c2ccccc2Cl)c1C(=O)C[P@@](=O)(O)OCc1ccccc1 40934930 YEIQKMRQEGGRMS-UHFFFAOYSA-N 405.774 4.888 0 1 HJAF COC1=C(F)[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45317417 WWWWZFLJGIDVFC-XFQAVAEZSA-N 421.438 4.925 0 1 HJAF O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 53243229 LEZFXNWLSJUDTJ-UHFFFAOYSA-N 421.833 4.770 0 1 HJAF CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccc(Cl)cc1Cl 64548638 AOKAUROLFXANDP-GOSISDBHSA-N 401.249 4.797 0 1 HJAF Cc1ccc2c(CC(=O)Nc3nc4cc(Cl)c(F)cc4s3)cc(=O)oc2c1 71334721 GRNZMWUPQNALIM-UHFFFAOYSA-N 402.834 4.685 0 1 HJAF Cc1ccc(N2C(=O)[C@@H](n3cc(-c4ccccc4)nn3)[C@H]2/C=C/c2ccccc2)cc1 72178362 WYBCHLVUSXVXEK-APVBZNQZSA-N 406.489 4.923 0 1 HJAF O=C(O[C@@H]1CC[C@H]2CC[C@H]1N2CC1CC1)C(O)(C1CCCCC1)C1CCCCC1 169336907 LEFSETMTFSAYNC-DNVJHFABSA-N 403.607 4.827 0 1 HJAF COc1ccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc1OC 204170841 UCMYIQNQXGENJC-UHFFFAOYSA-N 415.497 4.596 0 1 HJAF Brc1cnc(NCc2ccccc2)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587000454 NUXPCDRLBSITSY-UHFFFAOYSA-N 423.270 4.728 0 1 HJAF Oc1nc(S)nc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587061038 ZSQHGTSDWKKJRV-UHFFFAOYSA-N 405.870 4.883 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O 587107463 SGIYREDMPAWVNS-KDOFPFPSSA-N 412.489 4.953 0 1 HJAF O=S(=O)(c1ncccc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1)C(F)(F)F 587127101 MBPGFQWCQQCZIT-UHFFFAOYSA-N 419.384 4.711 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1O 587355413 XQOGIFQWOOUNCZ-ZJSXRUAMSA-N 424.424 4.528 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@]2(O)CCC(=O)[C@@]2(C)C3)c1 587365951 LIELADQLASWASK-FTJBHMTQSA-N 413.473 4.856 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587421942 MQLSQUCWQQBGOM-VBKZILBWSA-N 400.356 4.593 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(Br)cc1OC)CC2=O 587455371 BCWRQWNDRYUQMD-GOSISDBHSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1nn(C)c3ccc(Br)cc13)CC2=O 587460149 RTFXFEKXOZMVHQ-SFHVURJKSA-N 415.287 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O 587475900 QRMZSTHOXWLNHL-XMMPIXPASA-N 415.530 4.860 0 1 HJAF COCOc1ccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516773 ZMLPBRLQWYLHSQ-AREMUKBSSA-N 415.489 4.852 0 1 HJAF CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587545850 PRECMMVAMPESAR-UGKGYDQZSA-N 424.836 4.925 0 1 HJAF COc1c(Cl)ncc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551851 KOIUMDUWJVSFQP-QAPCUYQASA-N 418.232 4.806 0 1 HJAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554687 DRYOFNVZFQFJJF-CVDCTZTESA-N 412.388 4.946 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COC(F)(F)F)c1ccccc1 587554768 JFZFFZSTWRWRQU-NQIIRXRSSA-N 416.351 4.786 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1 587709654 CAFCWGAREFTRAH-PWJLMRLQSA-N 404.201 4.936 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2cccn2)N1 587722123 QXNGQXLCTXPEEJ-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2F)N1 587727258 NDHCFRDANGHPLO-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(N)cc32)N1 587747401 QCBXOAIRVAIDKC-YBTHPKLGSA-N 405.311 4.509 0 1 HJAF Cc1cccnc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756495 RQYWEKVVRJZJMF-BFUOFWGJSA-N 400.295 4.706 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C 587758137 PTMNEJSQRFAQNY-LAJNKCICSA-N 414.322 4.921 0 1 HJAF CCOC(=O)c1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799582 SOFZDWXPCONQQX-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2 587833803 OYIJKIBMXDCUQS-ZSMADZGOSA-N 420.322 4.934 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncnc(Cl)c3s2)N1 587858444 QRPPWECNXVQVNZ-JKYUHCHBSA-N 412.715 4.870 0 1 HJAF COc1ccc(COC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587863046 PALZZMDMCXDCQR-UHFFFAOYSA-N 406.360 4.771 0 1 HJAF COc1ccc(C[C@@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC 587925267 DIKHSYARKPAOCA-SECBINFHSA-N 411.246 4.967 0 1 HJAF COc1cccc(CCc2nc3cc(Br)c(Br)cc3[nH]2)c1 587930174 DYRUFPDPLDDWCJ-UHFFFAOYSA-N 410.109 4.882 0 1 HJAF COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1 653840605 IQQLLSCWXIPDOD-FQEVSTJZSA-N 411.502 4.521 0 1 HJAF Cc1cc(C)c2c(N)c(C(=O)N3NC(c4cccs4)=C[C@@H]3c3ccco3)sc2n1 958585558 PGBBAVSTNCACNH-CQSZACIVSA-N 422.535 4.893 0 1 HJAF COc1ccc2c(c1)[C@](c1ccccc1)([C@@H](C)C(=O)C(F)(F)F)N(C(C)C)CC2 962095447 YTCSMNANXOJXSW-KSFYIVLOSA-N 405.460 4.973 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 2356469861 DJEKAWTVCYHDKU-BWKNWUBXSA-N 422.477 4.672 0 1 HJAF O=C(N[C@@H](Cc1ccccc1)[P@@](=O)(O)Oc1ccccc1)OCc1ccccc1 146461384 DWXWLXHTRVHYGP-OAQYLSRUSA-N 411.394 4.746 0 3 HJAF O=C1C[C@H]2CCN(C(=O)Cc3ccsc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211061952 XNHKUEDYJWRASB-KVZPGWMESA-N 407.579 4.756 0 3 HJAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 256431415 OZZAYJQNMKMUSD-NBCQBHNSSA-N 416.558 4.931 0 3 HJAF in-vitro CC(C)(C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2cccc(C(=N)N)c2)cc1 12355095 KUCUDIJXBPBWCH-UHFFFAOYSA-N 420.538 4.834 0 1 HJAF COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 13491636 UMUCSJYFZZHPKI-UHFFFAOYSA-N 424.548 4.870 0 1 HJAF CC(C)COc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528608 RQNFZRGTJDZMPS-UHFFFAOYSA-N 416.470 4.551 0 1 HJAF C[C@@H]1CCC[C@H](NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)[C@@H]1C 20386104 UZAIYWUDAMKXAD-NUJGCVRESA-N 409.555 4.524 0 1 HJAF O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25430474 SINXWNAXDWQEGR-DVECYGJZSA-N 420.512 4.928 0 1 HJAF biogenic CC(C)c1ccc(C(c2ccco2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 28222472 JKWGRZWUURXXBX-UHFFFAOYSA-N 406.478 4.838 0 1 HJAF COc1cc(C(=O)c2cc(-c3ccc(Cl)cc3)sc2N)cc(OC)c1OC 36107908 MCTZJWVYUUFWMY-UHFFFAOYSA-N 403.887 4.908 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(F)cc1 36189120 QRXQUYSQEGNIRQ-GUCZTKFNSA-N 410.533 4.678 0 1 HJAF CCC[C@@]1(C(=O)Nc2cccc(F)c2)CCc2c(c3ccccc3n2CC(=O)O)C1 40833935 AFTBBFIEVKZIFC-XMMPIXPASA-N 408.473 4.779 0 1 HJAF CCOc1ccc(Cc2nc3cc(N(C)C(=O)N(C)C)ccc3n2CC2CC2)cc1 40866336 FLQBXYKSPXEKRV-UHFFFAOYSA-N 406.530 4.554 0 1 HJAF CN(C)C12C[C@H](NCCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 58590513 LLSXDPCIBNMKAU-VKIFCRSTSA-N 417.641 4.722 0 1 HJAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(OC)cc1)c(O)c1ncccc12 66099275 MVZCTLXTJKKMRJ-UHFFFAOYSA-N 410.451 4.605 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccc3)c12 84618969 JNYUGWPUYNNZOZ-CQSZACIVSA-N 414.465 4.768 0 1 HJAF O=C1CCc2cc(C(=O)NC[C@H]3CC[C@@H](CCOc4ccccc4)CC3)ccc2N1 101146050 PZHCZIJJMYWSBK-WGSAOQKQSA-N 406.526 4.577 0 1 HJAF COc1ccc(-c2c(S(=O)(=O)c3ccc(OC)cc3)cnc3cc(F)ccc23)cc1 115923304 ZNYDGLZAKJKAOQ-UHFFFAOYSA-N 423.465 4.891 0 1 HJAF Oc1nc(CCc2ccccc2)cc(Nc2ccccc2)c1I 299820259 FVVFBWSDNSCLTR-UHFFFAOYSA-N 416.262 4.921 0 1 HJAF Oc1cccc2c1OCC(c1nc3cc(Br)c(Br)cc3[nH]1)=C2 586907861 KFVVTJWYWQEKFG-UHFFFAOYSA-N 422.076 4.727 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587040783 BUJOWQUISWDWCO-CYBMUJFWSA-N 423.325 4.551 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1OC 587067641 IPELNBAWCOCQRQ-UHFFFAOYSA-N 422.868 4.838 0 1 HJAF Cc1ccc2c3c(cc([C@H]4C(=O)c5ccccc5N(C)C4=O)nc13)-c1ccccc1C2=O 587096685 JMPWKUQKLOLEPR-QHCPKHFHSA-N 418.452 4.698 0 1 HJAF O=S(=O)(Nc1cc(-c2nc3cccc(F)c3[nH]2)ccc1Cl)c1ccc(F)cc1 587170399 AXFZXUDLMVWAJN-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF Fc1cccc2c(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)n[nH]c12 587176916 VXXGQXRXXGYXMT-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF FC(F)(F)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)c(I)c1 587179508 WUMFICYUNCPERE-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N)ccc2O1 587341720 ZTZJSENSWPWCFI-WIOPSUGQSA-N 419.452 4.929 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cn2cncn2)[C@H]1c1ccc(F)cc1 587345128 YLIQQCXDBYBIFL-OWSXEPHWSA-N 421.472 4.501 0 1 HJAF COc1ccc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587348836 HRDINFJRNAEKFK-LADGPHEKSA-N 408.425 4.823 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3c(Br)cccc31)CC2=O 587459901 QLHUFEJQLJLSSP-FQEVSTJZSA-N 402.288 4.784 0 1 HJAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1Br 587497633 DIJIUKRPFICAFP-NRFANRHFSA-N 416.315 4.799 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Br 587542532 YOGZZGYVKPEAQB-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1Br 587569582 RIWWPDSVUMOAFO-FXAWDEMLSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccc(F)cc1 587572331 SARSLVJVSXMDKL-DHLKQENFSA-N 413.404 4.832 0 1 HJAF Cc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 587589486 WZRCJTWXAMRQNP-ZJSXRUAMSA-N 410.429 4.861 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ncccn2)cc1 587589556 YBNGLZBXEWTOPZ-NZQKXSOJSA-N 412.401 4.677 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](O)c1ccccc1 587605943 BXSPGIQTFYNPNV-XSBVVTFOSA-N 424.452 4.983 0 1 HJAF COc1ccc2c(c1)[C@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614968 DYWJEMMYSPCAOF-BWKNWUBXSA-N 418.445 4.819 0 1 HJAF Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655810 FRWOFINLEHTAHR-OAHLLOKOSA-N 420.415 4.758 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(N)c2)N1 587681020 VYGIBPCFCYJWMD-VPTHRUTESA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1 587709616 BQNHMAWTARKEEB-VVVCHXIZSA-N 417.244 4.987 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1 587714608 WEKCBHBEFGKTOW-XLFHBGCDSA-N 417.244 4.987 0 1 HJAF COc1c(F)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587717135 FLZULUPRQZHWSD-YYSFKGJASA-N 400.238 4.673 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)n2)N1 587738237 LRQSNMKRBSJDEM-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF CCOC(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795737 JDGULEQPEQQGHY-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807745 MYQGXBGVALJFHR-YUNKPMOVSA-N 422.294 4.921 0 1 HJAF Cc1cc(C)nc(SC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587846790 RVBPGDHLTDMZAF-KPZWWZAWSA-N 410.356 4.537 0 1 HJAF CCC[C@]1(c2ncccc2Cl)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962723260 YWTAYTGIUQGTJY-QAPCUYQASA-N 416.802 4.536 0 1 HJAF CCCCCc1ccc([C@]2(c3ncco3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933295 UIDNXXFRWYIPKK-SANMLTNESA-N 417.553 4.547 0 1 HJAF COCOc1ccc([C@@]2(c3cccnc3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963098384 GPQCZGWYOUSCQY-WIOPSUGQSA-N 404.485 4.516 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1sc(Nc2cccnc2)nc1C 963271874 WJMVCZKXOJSZON-FQEVSTJZSA-N 400.935 4.661 0 1 HJAF CC(=O)OCO[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CCC(=O)[C@@H]12 1772590462 JKBDPIFYSDKQSL-RJLPMABKSA-N 420.590 4.501 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)c(C)c3)n3c2CCOCC3)ccn1 1772592486 UJAVKJSDILLJIC-UHFFFAOYSA-N 403.404 4.700 0 1 HJAF CCCOC(=O)N1CCN(C(=O)c2ccc3ccc(-c4ccccc4)nc3c2)C[C@H]1C 1857553404 VDVVQUSACVWHDE-GOSISDBHSA-N 417.509 4.595 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@@H](O)C=C(C)[C@@]21C 2356574119 NVEWIEAUNOPBPT-JZHZYSNASA-N 416.558 4.507 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 3933370 FLWXLMCWOAPBNP-QHCPKHFHSA-N 409.913 4.879 0 1 HJAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(-c3cccnc3)nc1)CC2 13806123 UFWHHDBSWOBBQO-UHFFFAOYSA-N 414.387 4.766 0 1 HJAF CCCC(=O)c1c2c(c3oc(=O)cc([C@H](CC)OC(C)=O)c3c1O)C=CC(C)(C)O2 14448230 CDKATPIFUZRMEU-INIZCTEOSA-N 414.454 4.680 0 1 HJAF biogenic Brc1ccc2ccn(CCN3CCCN(C4CCCCC4)CC3)c2c1 22939960 DSIXUIAMAPUWHC-UHFFFAOYSA-N 404.396 4.744 0 1 HJAF CS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 27524403 NDIRWGWWULXAEI-UHFFFAOYSA-N 421.547 4.835 0 1 HJAF O=C(Nc1ccc(-c2ccccc2)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28524047 PRFWHNOTRMXSAW-JWQCQUIFSA-N 412.537 4.576 0 1 HJAF O=C(Nc1ccc(F)cc1)OCCCCN1CCC(OCc2ccccc2)CC1 28650717 MVZFGRRKRJNJDO-UHFFFAOYSA-N 400.494 4.836 0 1 HJAF COc1ccc(CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 28862870 LRABZNCEORFHCH-GFCCVEGCSA-N 402.466 4.809 0 1 HJAF Clc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 40391728 PGFQSOQKZDCUIL-UHFFFAOYSA-N 419.714 4.849 0 1 HJAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCCC3)n2)cc1 43017765 FVPZIQRRQNJUHU-UHFFFAOYSA-N 413.465 4.558 0 1 HJAF COc1cc(OC)c2c3c1C(=O)C[C@@H]1c4ccccc4O[C@@H](c4cccc(O)c4-2)[C@H]31 45495021 RAHLNYQUSMLHPY-XILATRJDSA-N 400.430 4.977 0 1 HJAF COC(=O)CCCSc1nnc(-c2cccc(-c3cc(F)ccc3OC)c2)o1 64415816 XMIISBWRQWKKBT-UHFFFAOYSA-N 402.447 4.597 0 1 HJAF CC(C)(C)OC(=O)n1ccc2cc(-c3nn(C4CCCC4)c4ncnc(N)c34)ccc21 64553673 FASPJDRKOSUHHS-UHFFFAOYSA-N 418.501 4.929 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCCc3ccccc3)ccc21 72171052 CXHSQOQGMSWNKX-UHFFFAOYSA-N 405.538 4.824 0 1 HJAF CCc1cccc(-c2c(-c3ccc4[nH]ncc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 95587413 DWGZPEYGZICFRZ-MLGOLLRUSA-N 403.511 4.905 0 1 HJAF COc1cc(N2CCOCC2)ccc1Nc1ncc2ccc(-c3ccccc3)cc2n1 98065455 NJYJBVKHXQGCRT-UHFFFAOYSA-N 412.493 4.886 0 1 HJAF CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(C)(C)C)c4)ccc1c23 169308103 FBJRRYCFCNCYHU-UHFFFAOYSA-N 408.523 4.918 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(F)c3)cc1[C@@]21N=C(C)C(N)=N1 169708744 HRDQJFPXQGWLSV-BOYUCYPVSA-N 409.480 4.748 0 1 HJAF COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1OC 238770046 DDEVDXKOTCTQPW-SGKWCMOWSA-N 402.531 4.773 0 1 HJAF Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2cccs2)n1 473180421 PYEBVJKPFDDXSJ-DBXWQHBBSA-N 419.550 4.894 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4cccc(Br)c4[nH]3)n2C)cc1 586965341 NQSSXMGVTOWPDI-UHFFFAOYSA-N 414.332 4.722 0 1 HJAF CC(C)Oc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004205 RBPRYBKFRZXXIQ-LBPRGKRZSA-N 415.287 4.748 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587039794 FWSLLCKCHLQNBR-DZGCQCFKSA-N 414.403 4.558 0 1 HJAF COc1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc(Cl)c1OCC(C)C 587045995 BQRYYXJUYZZLTL-PLNGDYQASA-N 422.963 4.798 0 1 HJAF O=C(O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)ccc2F)cc1F 587138980 YLZDGDOUMJFWIH-UHFFFAOYSA-N 408.360 4.645 0 1 HJAF COc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(I)c1 587180080 LAHHFRNZXWYCDI-UHFFFAOYSA-N 407.255 4.536 0 1 HJAF COc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Cl 587185128 XNNSIGKYBRMWJR-AATRIKPKSA-N 410.642 5.000 0 1 HJAF O=C(O)CC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331596 HZBCZJPXVIGFCY-VWNXMTODSA-N 424.399 4.790 0 1 HJAF COc1ccc([C@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 587414562 VYWPNZIBKXMVPX-VWLOTQADSA-N 415.445 4.947 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(Br)c1)[C@@H](C2)C3=O 587416889 HMNLPBSARFROIF-KKSFZXQISA-N 410.267 4.737 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(C(F)(F)F)c1 587544010 DHAXDAYIZAHAKN-PXNSSMCTSA-N 402.324 4.820 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccccc1 587579304 DBDGMBIOZYHHHQ-ZEQKJWHPSA-N 424.456 4.771 0 1 HJAF CC1CCC(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 587583126 QLUAPBHVQDLDAV-IRZJEQJZSA-N 407.510 4.767 0 1 HJAF CC(C)(C)c1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600492 BFGKOXVBNVIJNE-NBGIEHNGSA-N 418.445 4.631 0 1 HJAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601885 GCUOIIFRJUARBS-IIJHEDEASA-N 422.477 4.950 0 1 HJAF C[C@@H](CC(=O)O)[C@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587735209 XFEKAQQSSGWXIT-XXRNEEKGSA-N 424.285 4.616 0 1 HJAF CC(=O)n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587755576 HVHFMPFTRUBFJR-PRWKNARSSA-N 401.279 4.827 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763636 KSGTXXLZXXMONR-FKIZINRSSA-N 400.295 4.706 0 1 HJAF CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587795407 IVSKEOPLSXGZIS-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)C[C@H](C)CC2 587869565 MLHXGNGCMPLPMP-LLVKDONJSA-N 421.444 4.847 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccc(C)c(C)c1 587870824 SLYZVEACSSQNRO-UHFFFAOYSA-N 409.461 4.764 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCCN1CCCC[C@H]12 961748848 JKIBGUIZTBBUBM-SQJMNOBHSA-N 411.590 4.682 0 1 HJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(c1ccc(Cl)cc1)c1ncc[nH]1 962719554 VXQNCXGJNRPPIQ-VGOFRKELSA-N 413.949 4.858 0 1 HJAF CCO[C@@H](C)n1nccc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833228 SYYPFFHHDKIWFU-SSOJOUAXSA-N 416.525 4.734 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCO4)cc21 1857537629 TVXOJZYVUZIRKM-UHFFFAOYSA-N 416.433 4.578 0 1 HJAF O=C(NCc1ccc(C(F)(F)F)cc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205711002 XTNQUVJMQXZIRA-BBTUJRGHSA-N 424.463 4.645 0 3 HJAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 13378647 WTGUNSGYPQJOLT-WPWBMXPQSA-N 424.493 4.605 0 1 HJAF biogenic CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccccc1 13559524 GOMFYDFQXWRAGC-MAFNXUKGSA-N 422.613 4.765 0 1 HJAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1C(C)=O 13832852 OIJCITFUTGIQPZ-UHFFFAOYSA-N 412.497 4.548 0 1 HJAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CCC(c2ccccc2)CC1 26719202 SNEVVLUBSSLZDD-UHFFFAOYSA-N 421.488 4.960 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 29461921 KFZWDYQMBIYWFQ-LCZCFEKFSA-N 402.623 4.769 0 1 HJAF CC1(C)Oc2cc(Cl)c(Cl)cc2[C@@H](n2oc3cc(Cl)ccc3c2=O)[C@@H]1O 45498806 DRUFGAQCTMUDIN-CVEARBPZSA-N 414.672 4.676 0 1 HJAF Cc1ccccc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCc3cncs3)cc2c1 72142902 KSWWBLYGIZHTMF-INIZCTEOSA-N 416.550 4.744 0 1 HJAF COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3CC=CCC3)n2)cc1 82066849 NJVSJNSSBVTTCW-NRFANRHFSA-N 415.497 4.538 0 1 HJAF COc1cc2nc(NCCCOC(C)C)nc(NC3CCCCC3)c2cc1OC 82119752 YVZDVRKJOLRAMO-UHFFFAOYSA-N 402.539 4.619 0 1 HJAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187244 XTMMODRIWPQUEQ-INIZCTEOSA-N 404.493 4.728 0 1 HJAF Brc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1 95573802 HMSXXELRHVSPCL-UHFFFAOYSA-N 424.327 4.779 0 1 HJAF CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167903 QRXNHLRVKKVQFT-PIPMEXSNSA-N 418.474 4.809 0 1 HJAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](Nc3ccccc3)[C@@H]2C)OCO4)c1O 105521071 BEOMZXKHEQYFOO-FUEHQLCJSA-N 405.450 4.728 0 1 HJAF Cc1nn(Cc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c(C)c1CC(=O)O 168948723 QZXUFADMNQBELO-UHFFFAOYSA-N 418.415 4.773 0 1 HJAF COC(=O)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 169349289 KQGWZWJXRAHHCY-UHFFFAOYSA-N 406.404 4.904 0 1 HJAF CC(C)COc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587039404 DQZRRSRDMQFQMT-UHFFFAOYSA-N 405.321 4.660 0 1 HJAF Cc1onc(-c2nc3nc(Br)ccc3[nH]2)c1COc1ccccc1Cl 587063738 UMCZOPDGGHQPLY-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF Clc1ccc2ccn(Cc3nc4ccc(I)cc4[nH]3)c2c1 587079249 BSCDQCJUJVPYEE-UHFFFAOYSA-N 407.642 4.824 0 1 HJAF Fc1c(F)c(-c2nc3ccc(I)cc3[nH]2)c(F)c(F)c1S 587134228 KPFQLVVZAPUZGC-UHFFFAOYSA-N 424.160 4.680 0 1 HJAF Cc1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587157936 PYBVXIAOJQWBER-UHFFFAOYSA-N 401.239 4.608 0 1 HJAF Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1 587160571 DLBNMGPNIJIKGG-NXEZZACHSA-N 411.072 4.893 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccccc1C(F)(F)F)CC2=O 587460407 IKZYGOLJLWXJQO-NRFANRHFSA-N 422.399 4.787 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O[C@H](C)C(=O)O)cc1)CC2=O 587485709 QLWJACSNNDOGDQ-OYLFLEFRSA-N 412.482 4.553 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1 587555837 MJQQQKRYNGNNQU-XLIONFOSSA-N 402.324 4.994 0 1 HJAF CC(C)CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587613681 PDFGNLWTBZUUFA-NQIIRXRSSA-N 408.479 4.633 0 1 HJAF O=C(c1ccc(F)cc1)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638269 VMOJIQIZROXEIZ-UHFFFAOYSA-N 401.262 4.890 0 1 HJAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)c2cccc(F)c2)c(O)c1 587649822 LJHVFEUXQZNZAU-UHFFFAOYSA-N 423.465 4.623 0 1 HJAF Cc1cc(C)c2c(N)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2n1 587747674 RDOPXRVKYXJBEF-YBTHPKLGSA-N 418.310 4.726 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2N)N1 587751740 YVSUJOKZTNZMQI-RCDICMHDSA-N 411.318 4.997 0 1 HJAF CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812486 ZOLRYMMMJVGQEZ-FKIZINRSSA-N 406.295 4.563 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587852892 NZVHEFAVIHRBHR-GTNSWQLSSA-N 424.383 4.967 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCN(Cc2ccccc2)CC1 587869106 BJONWKANKMXSOB-UHFFFAOYSA-N 416.447 4.810 0 1 HJAF O=C(c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1)N1CCCCC1 653755989 QCJRXFRBOFMPOA-UHFFFAOYSA-N 409.440 4.868 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1cccc(Br)c1C)N(C)[C@@H](C)C2 962626781 GEBGJZVLSBARAF-ZSEKCTLFSA-N 404.348 4.915 0 1 HJAF Cc1ncc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc1Br 962997968 NDYCWFMVGYJMAF-LJQANCHMSA-N 400.345 4.757 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@]23CCCC[C@@H]3C)[nH]c2ccc(Cl)cc12 1911572426 ISIOGXCCKZDFTJ-LOOLNKMNSA-N 405.951 4.645 0 1 HJAF CCCCC1=C2CCC=C[C@]2([C@@H]2C3=C(CC[C@H]2O)[C@H](CCCC)OC3=O)C(=O)O1 2356543364 ONKAUHUGMINWJT-FSENYNONSA-N 400.515 4.507 0 1 HJAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@]3(C)CCC[C@@]4(CCC[C@H]14)N3C2 2356808253 YPIJXCVPEFMAJE-MMNDWPAKSA-N 419.993 4.723 0 1 HJAF CCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 3787412 VGMNPCYWENQXQM-UHFFFAOYSA-N 411.546 4.662 0 1 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCN(CC)CC 4213562 DNVUGEXEZIOROB-GOTSBHOMSA-N 417.594 4.557 0 1 HJAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1 13823655 MYCJRGBIWPIQAR-UHFFFAOYSA-N 420.904 4.587 0 1 HJAF CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(C)C[C@H]2C)cc1 13862290 BNEAXOWTFLKGSP-NTKDMRAZSA-N 409.574 4.656 0 1 HJAF COc1ccc(CNc2nc(-c3ccc(C=O)cc3)nc3c2ncn3C(C)C)cc1 14947375 GQOCHUAIPCTWKU-UHFFFAOYSA-N 401.470 4.507 0 1 HJAF Cc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]2Sc4ncnc(N)c4[C@@H]32)c1 28526351 JEYRDAZJCFJWJF-ROUUACIJSA-N 403.511 4.564 0 1 HJAF Cc1cccc(C)c1-n1ccc(=O)c(OCCCCCOc2c(C)occc2=O)c1C 28712730 GFNVWQMIDVZYML-UHFFFAOYSA-N 423.509 4.652 0 1 HJAF COc1ccc2c(c1)c(Cc1csc(N)n1)c(C)n2C(=O)c1ccc(Cl)cc1 28760666 IUNHGASZWHASJU-UHFFFAOYSA-N 411.914 4.930 0 1 HJAF CCC[C@@H](CC1(C(=O)Nc2nnc(Cc3ccccc3)s2)CCCC1)C(=O)O 34803317 WTCGLJIGRQNVRC-INIZCTEOSA-N 401.532 4.519 0 1 HJAF OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 95874538 CPGJSWPJIQFYIV-XPWALMASSA-N 418.503 4.531 0 1 HJAF CN(C(=O)c1c[nH]c2ccccc12)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403226 UBQLHRIDEPRNOO-FXCLAUTBSA-N 411.496 4.647 0 1 HJAF CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCCN)nc12 141085309 LKMQQJWCSQJWGN-UHFFFAOYSA-N 412.557 4.925 0 1 HJAF O[C@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC[C@@]1(O)c1ccccc1 253683160 LFNIKHHUYFVLKL-XBMBSWGYSA-N 405.582 4.756 0 1 HJAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586908600 SEROQRJPBJZKMN-QMMMGPOBSA-N 413.193 4.925 0 1 HJAF Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 586967864 HJHZMFJWOFYYFR-HOTGVXAUSA-N 419.554 4.720 0 1 HJAF Cc1cc(Br)ccc1OCc1nc2cc(Br)c(C)nc2[nH]1 586982009 YJZSNFNGTIVNAX-UHFFFAOYSA-N 411.097 4.679 0 1 HJAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586983906 LDWCNQOPGMTXNQ-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF Nc1ncc(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cn1 587254039 FXKBJXPGLNTTRM-UHFFFAOYSA-N 400.667 4.685 0 1 HJAF Cc1cc(Cl)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587327812 HRMGYOQTHNQRMC-AUSIDOKSSA-N 423.827 4.700 0 1 HJAF COc1ccc2c(c1)CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351314 MKFGPYLVGONFIH-UKILVPOCSA-N 404.437 4.827 0 1 HJAF CCOc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357775 ONVCNDKCXYUOCH-UKILVPOCSA-N 420.436 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)O2 587400848 RJEKZDNSXODSDL-NRFANRHFSA-N 408.498 4.971 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C)CC2=O 587474652 GXFNPEPJQSIRJJ-GKVSMKOHSA-N 423.509 4.727 0 1 HJAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587505749 LJALGTNYRXYPOZ-QHCPKHFHSA-N 414.885 4.953 0 1 HJAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cccn1 587517829 VZXQZOSGUVYZHA-RUZDIDTESA-N 402.494 4.699 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cccc12 587546124 OBKMQLVKKZBZRE-KNQAVFIVSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nccs1 587618355 NYPLLWXRYLDHIT-XXBNENTESA-N 401.443 4.754 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl 587693245 MVZUNQIXGYJGPO-YYSFKGJASA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1 587707752 WXGNDNBIWVNJOG-LZVRBXCZSA-N 422.681 4.972 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(C2CCNCC2)N1 587728072 CPFHCCOWJANBKD-YEJXKQKISA-N 421.329 4.505 0 1 HJAF Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12 587777635 IOCKHMKCDHDBNW-JEOXALJRSA-N 401.279 4.774 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@@H](C(=O)OC(C)(C)C)C2(C)C)N1 587792176 LOOYMYGDOZSFMW-PEWLAIEXSA-N 412.343 4.777 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1Br 587867138 UCAHYYMNKUPWNO-UHFFFAOYSA-N 412.209 4.783 0 1 HJAF C[C@]1(c2ccc(OCC(F)(F)F)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732335 ZQTGBVJBUKKVQA-SJLPKXTDSA-N 417.349 4.537 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(OC)c3oc(C(=O)O)cc23)N1 962949577 PVSFPVZTRXJXOH-YEBMWUKDSA-N 404.466 4.809 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@H]([C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c3cccc1c32 963039551 YDKNJCPQROEGNU-QLVMHMETSA-N 415.578 4.501 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(C[C@@H]1CCC[C@H]1C(=O)O)c1ccccc1C(F)(F)F 963073668 XNCOVWCACWPCSK-JIGPKXGUSA-N 418.459 4.689 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(C(F)(F)F)ccc3C)C2)cc1 1772625710 IXTDHMNRNXRANE-YWZLYKJASA-N 406.448 4.869 0 1 HJAF COc1cc(C[C@H](C)[C@H](C)Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 1772640655 QUPJKFGWIMFJOA-IYBDPMFKSA-N 414.498 4.612 0 1 HJAF O=c1c2c([nH]c3ccccc13)[C@H](c1ccc(Cc3ccccc3)o1)N(c1ncccn1)C2 1857639531 UACYKFSWCSAESX-DEOSSOPVSA-N 420.472 4.612 0 1 HJAF Cc1cc([C@@H]2[C@H](C(C)C)CC[C@@]2(C)CC(=O)O)c(C(=O)O)c(O)c1Br 2356511151 ZOSSDTMJKVYMOL-LLJZQGTPSA-N 413.308 4.792 0 1 HJAF CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1C=C[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321 3978186 ZXHLDNILIVGKPC-XMSXMAAASA-N 422.521 4.795 0 1 HJAF CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 7991809 CGIUHLNAKRVEFE-SFHVURJKSA-N 424.593 4.543 0 1 HJAF CCCCOC(=O)c1ccc(OCc2ccc(C(=O)O)cc2OC)c(CCC)c1O 27978058 BQSQAMLSHHBZKV-UHFFFAOYSA-N 416.470 4.587 0 1 HJAF Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1N[C@@H]1CCc2ccccc21 28523015 RQXGJGJDXGEQTI-MRXNPFEDSA-N 421.302 4.958 0 1 HJAF CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)[C@@](O)(CC=C(C)C)C1=O 35466194 DCDUVEGSUDNBOU-VWLOTQADSA-N 416.558 4.962 0 1 HJAF biogenic CC(C)CCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189699 WAICHBXZTLQXKX-KJQPUYDFSA-N 402.623 4.723 0 1 HJAF Brc1cnc(N[C@H]2CCc3ccccc32)nc1Nc1cc(C2CC2)n[nH]1 38253483 IQJAOJXGJBJWID-HNNXBMFYSA-N 411.307 4.683 0 1 HJAF O=C(O)c1nn(Cc2cc(Br)ccc2OCc2ccccc2)cc1Cl 40567819 VLMCMQCPTHGRMU-UHFFFAOYSA-N 421.678 4.625 0 1 HJAF CN1CCCN(Cc2ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)cc2)CC1 45322717 FRRQJDTXBNHSFU-UHFFFAOYSA-N 417.528 4.883 0 1 HJAF O=C([C@@H]1CNC[C@H]1c1ccccc1Br)N1CCCC[C@H]1c1ccccc1 82158071 RZEULNVMLJPCDM-ZVDOUQERSA-N 413.359 4.506 0 1 HJAF Cc1nn(C)c(Oc2ccccc2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1 95588932 RXQVFMACXHFEKT-SFHVURJKSA-N 410.905 4.937 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 100772858 JCUWKPURUZEBFJ-AXNGDHQNSA-N 412.526 4.789 0 1 HJAF endogenous,in-man COC[C@@H](C)NC(=O)c1cc(NC(=O)C2CCCCC2)cc(-c2ccc(C)cc2)c1 142612010 VMNIHWGWCFAMOQ-GOSISDBHSA-N 408.542 4.946 0 1 HJAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2O)ccc1C(=O)O 143794906 DYMQNQCWTHASGB-UHFFFAOYSA-N 405.516 4.860 0 1 HJAF O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167282645 LSYDLLINDFBMKA-UHFFFAOYSA-N 424.504 4.688 0 1 HJAF CC(C)[C@@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@H]1c1ccccc1 169345795 XLFJDHLGNLFIHC-JKSUJKDBSA-N 417.296 4.686 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccccc1Cl 203900601 WCEGFVBKOQISMD-IBGZPJMESA-N 424.884 4.665 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)C5 255213320 GPOVTJUXVPPEKR-VNJAYQCTSA-N 413.646 4.627 0 1 HJAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(C(C)(C)O)cn1 473110113 UXTHTDTWALLXHB-UHFFFAOYSA-N 403.429 4.661 0 1 HJAF O[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1Cl 587059539 RSVNRRPXCGHBHY-ZDUSSCGKSA-N 416.500 4.823 0 1 HJAF COc1ccc(-c2nc3cc(OC)c(Cl)cc3[nH]2)c(I)c1 587179237 SPFSFXBQXDIRLM-UHFFFAOYSA-N 414.630 4.505 0 1 HJAF CC(C)CCOc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br 587195051 QPBPUGZJCPKMRU-UHFFFAOYSA-N 403.324 4.878 0 1 HJAF O=C1c2ccc(O)cc2OC2([C@H]3CCC[C@H]2CN(C2CC2)C3)[C@@H]1c1ccc(F)cc1 587340825 UHPYAQYUKAIBLF-HKARXFIJSA-N 407.485 4.523 0 1 HJAF Cc1cc(Cl)cc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551591 HHLVVPFSWMITBQ-WMZHIEFXSA-N 408.837 4.994 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)cc1F 587554617 JBCUGVCUILXBID-FXAWDEMLSA-N 402.324 4.836 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587693728 OBJGBFWHDNMLLF-VPTHRUTESA-N 400.675 4.579 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587701214 WTGYTZCYGUEKFP-FVMDXXJSSA-N 400.723 4.780 0 1 HJAF Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707265 SQBYUAKCXFAKMB-APPDUMDISA-N 417.244 4.826 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587731110 KHIVVWKCRUXXKA-MPBGBICISA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587737425 ZSNZXPBPESJRCP-WVDJIFEKSA-N 403.270 4.933 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754424 DLGHTLCWWSXFTR-GIPWTMENSA-N 403.295 4.583 0 1 HJAF Cc1cccc([C@]2(c3cnc[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587793167 QLWNTEBQUSCTKR-ASSNKEHSSA-N 414.322 4.754 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587808315 YGLFTZREIPDWEZ-YBTHPKLGSA-N 416.294 4.611 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2cccs2)N1 587849383 UAUUEUFZYMNEDV-ADLMAVQZSA-N 412.324 4.682 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)s2)N1 587853461 NGHVQYRVIVERFT-WJWGPLDTSA-N 420.145 4.605 0 1 HJAF CCOc1cc(-n2c(O)ccc2OCCCc2ccccc2)c(Cl)cc1C(=O)O 587941503 PMXRWONTPZJEDA-UHFFFAOYSA-N 415.873 4.945 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 963289959 SIAVIYIOVWHAIK-KRWDZBQOSA-N 409.368 4.673 0 1 HJAF FC(F)(F)c1ccc2nc([C@@H]3[C@@H]4Oc5ccc(Oc6ccncn6)cc5[C@H]43)[nH]c2c1 1772629646 GBKYUTIMIIUUJY-GBESFXJTSA-N 410.355 4.806 0 1 HJAF COc1cc(CC[C@H](C[C@@H](CC2CCCCC2)OC(C)=O)OC(C)=O)ccc1O 2356371840 REQJTZXHFLPDPI-NHCUHLMSSA-N 406.519 4.557 0 1 HJAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC4CCOCC4)C=C3C)[nH]c2c1 2356495811 FYGAUIAPKRTUJC-CNNODRBYSA-N 411.590 4.737 0 1 HJAF COc1ccc(CNCc2cccc(C(=O)NCCCCc3ccccc3)c2)cc1 13589152 XZYFKDFGRRSBKH-UHFFFAOYSA-N 402.538 4.738 0 1 HJAF CCOC(=O)[C@@H](C)N(O)C(=O)NCc1cccc(OC/C=C(\C)CCC=C(C)C)c1 26822842 OXLNDURKCYFFNR-HJDVLLJCSA-N 418.534 4.611 0 1 HJAF CCC(CC)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26832093 LYLXESWVERGTKQ-UHFFFAOYSA-N 416.465 4.548 0 1 HJAF COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(Oc4ccccc4)ccc32)c1 40411458 HFZDGFSMMHRITH-QHCPKHFHSA-N 415.445 4.864 0 1 HJAF CCC(CC)(COc1ccc2cc([C@H]([C@@H](C)N(C)C)n3ccnc3)ccc2c1)C(=O)O 40763294 PLXKSCLQIJZCDI-JPYJTQIMSA-N 423.557 4.846 0 1 HJAF Cc1ccnc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnn4)CC3)c2)c1 66101337 NQZDYTSDVQBVOG-UHFFFAOYSA-N 401.470 4.684 0 1 HJAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CC)Cc2ccccc2)n1 82067098 OFGXVJZMNPQWSF-QGZVFWFLSA-N 407.518 4.909 0 1 HJAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CC[C@@H]1CCCN1C 82181362 DTXYTHMFJOFECS-SFHVURJKSA-N 412.969 4.529 0 1 HJAF CC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2c1ccccc1 84672509 YGKZTXNWYZQRAY-UHFFFAOYSA-N 414.553 4.756 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1 95570431 MHIQMFCPWCHYLQ-UHFFFAOYSA-N 402.567 4.884 0 1 HJAF O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100106785 PIVSLTVTOPIRQL-JKHIJQBDSA-N 405.448 4.604 0 1 HJAF CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3ccccc31)C2)c1ccccc1 101391236 QVXHHQGBOHNEEA-KEZOAJOQSA-N 416.569 4.780 0 1 HJAF COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O 104033068 HTPNVLPQRINWLA-SFHVURJKSA-N 405.878 4.814 0 1 HJAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1 104056601 SWQCBTCZBVJIOO-MRXNPFEDSA-N 410.543 4.820 0 1 HJAF CCNC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113656921 VMDVOPZSDPSBAT-UHFFFAOYSA-N 410.521 4.756 0 1 HJAF O=c1ccc2ccccc2n1CCCCN1CCN(c2cccc3sccc23)CC1 115088105 MRZPFQGTZKYGJM-UHFFFAOYSA-N 417.578 4.819 0 1 HJAF CC(=O)O[C@H]1/C=C(\C)CC(=O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 169292942 BIVURAJWBKYIFM-BZERJRHHSA-N 404.547 4.794 0 1 HJAF Cc1cc(Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c2c(ccc3nc[nH]c32)n1 169318325 KZXRIZXBRURKMP-UHFFFAOYSA-N 406.921 4.568 0 1 HJAF O=C(OC[C@H]1CCCN2CCCC[C@@H]12)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 504781868 FOMDFGUQTIWHEP-GJKVBTIHSA-N 410.396 4.528 0 1 HJAF biogenic CCCOc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br 586925616 HXDYFAGKWBXUNC-CSKARUKUSA-N 421.316 4.559 0 1 HJAF Clc1ccc(OCc2nc3cncc(Br)c3[nH]2)c(Br)c1 586976071 CEFQRTCYOPWQPV-UHFFFAOYSA-N 417.488 4.715 0 1 HJAF O=Cc1cc(Br)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 586982035 GYEHEKUOGOTFEM-UHFFFAOYSA-N 415.472 4.616 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1 586985573 OUXNQOVCTVQLOL-CQSZACIVSA-N 410.674 4.538 0 1 HJAF CCc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987355 NOBMZCMKAFEMLK-UHFFFAOYSA-N 408.457 4.895 0 1 HJAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)c(F)c1 586988734 OWQGVRSFHVADRX-UHFFFAOYSA-N 416.383 4.611 0 1 HJAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 586996256 CPHMVKPNJDYDNZ-CYBMUJFWSA-N 416.500 4.823 0 1 HJAF COc1ccccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586998221 YXLXAZLPSGSKRX-UHFFFAOYSA-N 408.457 4.944 0 1 HJAF Cc1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1 587089055 WWZZAPYQJZNKNZ-UHFFFAOYSA-N 400.871 4.503 0 1 HJAF Cc1nc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1Br 587116118 OKKQHBSMCIXPKQ-UHFFFAOYSA-N 408.181 4.658 0 1 HJAF Cc1ccc([C@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587346489 MSOQLSYRUQVLSR-DHLKQENFSA-N 414.436 4.866 0 1 HJAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1O 587355410 XQOGIFQWOOUNCZ-URXFXBBRSA-N 424.424 4.528 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)cc(Br)cc31)O2 587374354 XFBJAHSUQKHCFE-GOSISDBHSA-N 408.679 4.636 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)O2 587383127 QTFXAYRJPFVQFC-MRXNPFEDSA-N 417.387 4.828 0 1 HJAF CC[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](CC)N1C(=O)OC(C)(C)C 587400443 PNVYNGJEGVQWOS-RSQQPWMTSA-N 402.535 4.869 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cnc(N)s1)(c1ccccc1Cl)CC2=O 587494035 HRGANNIOPQEXOW-NRFANRHFSA-N 414.914 4.946 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1F)CC2 587568852 ODOZQGBJLGOEFQ-OAQYLSRUSA-N 405.425 4.532 0 1 HJAF O=C(O)CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600428 ALESRDZGXNJOEU-RCZVLFRGSA-N 418.445 4.894 0 1 HJAF COc1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1 587754420 DLDXDDKHLBIQRX-YBTHPKLGSA-N 403.295 4.712 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2)c1 587780742 GSFHQJRZPTUSCW-UHFFFAOYSA-N 417.509 4.758 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587802565 MYZSLEYGULPUCS-WIUDPPPLSA-N 414.322 4.766 0 1 HJAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587808880 RBRUPKPJEYUIMY-VOJFVSQTSA-N 424.310 4.546 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cccnc2)no1 587860362 SDHWVDVULBOOBN-UHFFFAOYSA-N 402.241 4.690 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1CN(C(=O)OC(C)(C)C)C1 587866032 BMXZKBKQXZLTPE-UHFFFAOYSA-N 411.424 4.759 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)N(C)[C@@H](C)C2 962633541 PJLZYVMOXNSVDH-MQNRADLISA-N 421.493 4.802 0 1 HJAF O=C1c2ccccc2[C@]2(NCCc3cccc(-c4ccccc4)c32)c2ccc(CO)cc21 962674469 XRBPJERYHKUPEH-LJAQVGFWSA-N 417.508 4.828 0 1 HJAF CC(=O)OCC=C(COC(C)=O)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1 2356726995 CUPZCQDOYGIYBQ-DTVVZGISSA-N 406.563 4.829 0 1 HJAF CC(=O)c1ccc(-c2[nH]c3ccccc3c2CCN2C(=O)c3ccccc3C2=O)cc1 61936219 CSZDTTCPDSZMPK-UHFFFAOYSA-N 408.457 4.876 0 3 HJAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 200053298 NBMMKFHXSYQCJC-RUZDIDTESA-N 412.533 4.973 0 3 HJAF CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 688605 GJWJRTYCNDXGRC-JOCHJYFZSA-N 402.498 4.595 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2[C@@H]1CN1CCCC1 3782796 UFRFKPDRMYNUAU-SFHVURJKSA-N 409.382 4.819 0 1 HJAF COc1cc(C[C@@H](C)[C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)ccc1O 14646530 VUUHIXIUHGVFKO-HUYGQZFBSA-N 402.487 4.537 0 1 HJAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C(C)C)n3nc(-c4ccccc4)cc3c12 36242930 ILKQRTXPJWHTCQ-UHFFFAOYSA-N 409.493 4.586 0 1 HJAF O=C(Nc1ccccc1)N[C@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl 68586507 GEOMVUNRNHMLNQ-CYBMUJFWSA-N 402.665 4.753 0 1 HJAF biogenic COc1ccccc1[C@H]1CN(CC(=O)O)C(=O)[C@H](CC(C)C)c2ccc(Cl)cc21 71329652 YBPYETHENAODPQ-WOJBJXKFSA-N 415.917 4.537 0 1 HJAF Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3nccnc3c2)n1 72183552 SICGTEGXKUZSHU-UHFFFAOYSA-N 420.476 4.502 0 1 HJAF CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccccc2C)oc1C 82177675 IQKYPMHWNWABPL-UHFFFAOYSA-N 421.545 4.696 0 1 HJAF CC(C)[C@@H](NC(=O)Oc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95577400 UMHMCUNSKUAZNW-OAQYLSRUSA-N 414.933 4.859 0 1 HJAF COc1ccc2c(c1)c1c(n2C(=O)c2cccc(C(F)(F)F)c2)CC[C@@H](C(=O)O)C1 95584326 PVNXVJLHOMEPSO-CYBMUJFWSA-N 417.383 4.547 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ncnc3[nH]ncc23)c1 95586806 DUAXMDPWOSWFOO-UHFFFAOYSA-N 414.347 4.808 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H]1CO 95877549 ZDCCTHFLJDTRSL-OPXMRZJTSA-N 416.496 4.507 0 1 HJAF CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c1 100632418 HSRPEDUNBUFIGC-DYESRHJHSA-N 408.567 4.559 0 1 HJAF O=C1Nc2ccc(Cl)cc2/C1=C\NCCCNc1ccnc2cc(Cl)ccc12 102814229 SOMOXIQLDGUEIX-SFQUDFHCSA-N 413.308 4.926 0 1 HJAF Cc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)o1 103294235 FDLCMMFTQNPAKE-UHFFFAOYSA-N 413.880 4.713 0 1 HJAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCCN3)c2c1 169333979 SEULJRPPRODQBH-ZUZCIYMTSA-N 422.369 4.847 0 1 HJAF COc1cc(-c2oc3c(OC)cc(/C=C/COC(C)=O)cc3c2C)ccc1OC(C)=O 238751008 XAGIMIJDFQILBZ-VOTSOKGWSA-N 424.449 4.927 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@@]53C)[C@H]1CCC2=O 253851721 KGFRQVJXQKRIGD-HQVLYOBFSA-N 402.538 4.733 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CCC4=C5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1 255226088 LHTRHOLWAOFBGQ-PRFVSNHVSA-N 413.646 4.627 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4cccc(OC(F)(F)F)c4[nH]3)n2C)cc1 586965829 YZLUIVQVSNYBFV-UHFFFAOYSA-N 419.432 4.858 0 1 HJAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 586978264 ZPUBFAZJMNJIKL-TWGQIWQCSA-N 415.287 4.610 0 1 HJAF Cc1nc(C)c(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1 587012589 POIFQCSLPCDLDT-UHFFFAOYSA-N 406.227 4.888 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587121629 IHXZUINLSULSAY-UHFFFAOYSA-N 414.387 4.687 0 1 HJAF C/C(=C/[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587379315 XXBRGLLLJGNNMB-ZAGCTORDSA-N 424.497 4.708 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OC)c1OC)CC2=O 587457837 NYHTYXMTRSENCU-QGZVFWFLSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccc1C(F)(F)F)CC2=O 587460410 IKZYGOLJLWXJQO-OAQYLSRUSA-N 422.399 4.787 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C)cc3C)c1)CC2=O 587474111 BFDKYPQKFUKDDK-XMMPIXPASA-N 420.509 4.921 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602343 JIZVBYOEAWIUNN-WIOPSUGQSA-N 416.429 4.674 0 1 HJAF C[C@@H](Oc1ccc(F)cc1F)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658668 RYXXWAMMVMTGRQ-CYBMUJFWSA-N 424.378 4.589 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(C(F)(F)F)cs2)N1 587713035 MGYCIIDLMADORB-WJWGPLDTSA-N 409.246 4.861 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2OC(F)F)N1 587719685 QYPGBXAEWZMDPC-VPTHRUTESA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587736913 CJAPPNAYIPHIDP-ODXCJYRJSA-N 422.317 4.520 0 1 HJAF Cc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587753034 HCKVDYGOPIRDAX-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF COc1cccc(C[C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811141 VLELDYACFSCFOF-LRTDBIEQSA-N 404.323 4.979 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812169 IPVNXSKYJFZUNB-GTXQTCRKSA-N 404.323 4.786 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1 587830284 DIGGNFJRKUMWFD-WYRIXSBYSA-N 406.295 4.857 0 1 HJAF CSc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587846724 RAQVVULVILUIBK-OVWNDWIMSA-N 424.335 4.705 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(C(F)(F)F)c1 587871447 XEFMCKBDGQOUBO-UHFFFAOYSA-N 408.351 4.826 0 1 HJAF COC(=O)c1cc2[nH]c([C@@H](c3ccccc3)c3ccc(OC)cc3)nc2cc1OC 587938679 YOLPJYXBPOXYEM-QFIPXVFZSA-N 402.450 4.547 0 1 HJAF C[C@@]1(c2cc3ccc(F)cc3oc2=O)c2cccc(F)c2CCN1[C@H]1CCSC1 962694879 FHQVAFPZEXIEEZ-HJPURHCSSA-N 413.489 4.698 0 1 HJAF Cc1ccc([C@]2(c3cccc(Cl)c3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963491373 MWMMHUPJILIZBE-GBXCKJPGSA-N 407.897 4.553 0 1 HJAF CC1=CC[C@H]2CCC[C@@]3(CCC[C@@H]3[C@@H](C)C=C[C@@H](O)C=C(Cl)CCOC1=O)N2 2356342683 YETAKRZPZUKKMS-JKKPUEDXSA-N 407.982 4.627 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC(C)C)[C@@]2(C)[C@@H]1C(=O)O 2356387405 RVUAPZKQDQMXCM-SYVRGLHTSA-N 418.530 4.853 0 1 HJAF Cc1nn(-c2cccc(N)c2)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12 12405808 XWQAQZPXWUPDSD-UHFFFAOYSA-N 411.461 4.644 0 1 HJAF COc1ccc([C@@H]2Cc3cc(C(F)(F)F)ccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 13450690 OHPCOUJTGOPUJG-FOIQADDNSA-N 420.475 4.585 0 1 HJAF OC[C@H]1O[C@@H](n2c(Cl)c(-c3ccco3)c3cc(Cl)c(Cl)cc32)C[C@@H]1O 28464285 IOTNEDMUGNGMCA-NWANDNLSSA-N 402.661 4.502 0 1 HJAF CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 36485843 UTJFIPFNFXVPDK-UHFFFAOYSA-N 422.591 4.545 0 1 HJAF CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(F)cc1)C(C)C 39254115 SEMFZYWRXHNXHR-UHFFFAOYSA-N 407.618 4.567 0 1 HJAF COc1nc2ccc(Br)cc2cc1[C@@H](N[C@H]1CCCO1)c1ccccc1 40395044 ZUWJOZQFGAIPRI-UXHICEINSA-N 413.315 4.821 0 1 HJAF O=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1c(Cl)cccc1Cl 42989823 ULZVKAZVRMNGOB-UHFFFAOYSA-N 424.328 4.739 0 1 HJAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(Cl)cc1Cl)O3 49089072 QFTDRSDRDUWAJK-SFHVURJKSA-N 418.324 4.957 0 1 HJAF O=S(=O)(Nc1cc(-c2ccc3ncccc3c2)cnc1Cl)c1ccc(F)cc1 73168745 LBMKYGFVNPHLPV-UHFFFAOYSA-N 413.861 4.890 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc4ccccc4n3)C[C@@H]1O2 84633416 QXUXFJPTWIBBDU-MTJJIEKYSA-N 416.521 4.867 0 1 HJAF N[C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O 84706024 KYNILLMSOZOSFT-JTHBVZDNSA-N 411.954 4.971 0 1 HJAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95893316 BJDZFTPRLIYMBG-SGNDLWITSA-N 424.972 4.596 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(F)cc1 100927202 IMOYQSALPFSZJN-HUFZAQBQSA-N 402.506 4.985 0 1 HJAF Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1 205551901 ICOWLBTWLIFJNL-UHFFFAOYSA-N 419.481 4.805 0 1 HJAF c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4ccccc34)CC2)cc1 205767585 PKBAQCQADFSFPI-UHFFFAOYSA-N 401.558 4.697 0 1 HJAF O=C(O)[C@@H]1CCCN(CCO[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 253803584 FVNOEKJSWVNJPE-YLJYHZDGSA-N 408.325 4.896 0 1 HJAF COc1cc(/C=C/c2nc3cc(Br)c(C)nc3[nH]2)ccc1Br 586977517 QFODLESTRPLHKL-GQCTYLIASA-N 423.108 4.970 0 1 HJAF Brc1ccc(-c2nc(Cc3nc4cc5cn[nH]c5cc4[nH]3)cs2)s1 587019008 CWSNOSIMKSWKOP-UHFFFAOYSA-N 416.329 4.978 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 587027004 OLBNDDOJGBTQEC-XYPHTWIQSA-N 400.935 4.748 0 1 HJAF O=C(O)CCC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104692 UTBOJDFSKBFIER-UHFFFAOYSA-N 422.440 4.917 0 1 HJAF 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YSZGTFSPCTWKGC-XUZZJYLKSA-N 406.434 4.640 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Br)N1 587678753 LNZZWFPFBXQGFQ-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl 587696922 VACLDAHJAQMMNP-XYZCENFISA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)cc3)CC2)N1 587726980 AMQFVRMVLPZQIQ-CYBMUJFWSA-N 407.302 4.757 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587738491 OXACRJZUVNXOHY-MPBGBICISA-N 422.317 4.520 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCN(Cc3ccccc3)C2)N1 587762297 SFAQOPIIYBPGHX-IVZHQMGZSA-N 403.339 4.686 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H]3CCCC[C@H]3C)CC2)N1 587771683 WMRITBAWNQGSAZ-RKVPGOIHSA-N 409.387 4.992 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2 587833358 MZHAXMODUDBDBB-JWCBKOKGSA-N 420.322 4.934 0 1 HJAF CCOP(=O)(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC 587850809 RZGZUEIOJRZYRH-BZNIZROVSA-N 408.248 4.604 0 1 HJAF CCOC(=O)[C@@]1(c2ccccc2Cl)c2ccsc2CCN1Cc1cccn1C 962397111 JIWUNFUWIAARLZ-JOCHJYFZSA-N 414.958 4.605 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3ccccc3)CC1(C)C)N(C)[C@H](C)C2 962637930 OJZGSBYOWLKWQH-BCHFMIIMSA-N 408.586 4.708 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@H]([C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c3cccc1c32 963038750 YDKNJCPQROEGNU-CEQIKUNHSA-N 415.578 4.501 0 1 HJAF CCOC(=O)CCC[C@@]1(c2cccc(F)c2)NCCc2cc3cccc(OC)c3nc21 963059209 SVNASZITKBBUEC-VWLOTQADSA-N 422.500 4.505 0 1 HJAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 2356341364 MLTYJMYPDLQLJF-PZDDLNMYSA-N 418.574 4.708 0 1 HJAF O=C(Cn1c(SCc2ccc(F)cc2)nc2cccnc21)Nc1ccccc1F 6877797 UHOGVFPQIZWXIO-UHFFFAOYSA-N 410.449 4.641 0 1 HJAF N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)[C@H](C3CCCC3)NCC4)ccc2c1 13532836 KORAEYDOYHOKIN-DEOSSOPVSA-N 412.537 4.753 0 1 HJAF CCN1[C@@H](C)CN(C(=O)c2cn(CC3CCCCC3)c3c(OC)cccc23)C[C@H]1C 13975394 FSNJWYVUDGWBOO-KDURUIRLSA-N 411.590 4.785 0 1 HJAF CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3cccnc3)nc21 40392456 KQOZMABNRXFRDT-UHFFFAOYSA-N 409.291 4.975 0 1 HJAF COC(=O)c1ccc2[nH]c(C3CCC4(CC3)OC(=O)c3ccccc34)nc2c1Cl 40423994 ZEZRKNXUDFBGQI-UHFFFAOYSA-N 410.857 4.726 0 1 HJAF CCn1c([C@H](O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40763344 DJKOHZCHHOORHA-MRXNPFEDSA-N 416.815 4.652 0 1 HJAF CCO[P@](C)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40893219 KSDQAXXJHATGRM-SANMLTNESA-N 400.440 4.819 0 1 HJAF O=C1S/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)N1CC(=O)C(F)(F)F 49807827 WBVMXWTVJHNZDF-GDNBJRDFSA-N 407.369 4.647 0 1 HJAF CCOC(=O)Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21 66079151 ZQAYNLPETGTQLK-UHFFFAOYSA-N 415.445 4.933 0 1 HJAF COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2C)ccc1-n1cnc(C)c1 96911127 SZSKTZXFLXPROO-HXUWFJFHSA-N 417.488 4.821 0 1 HJAF S=c1n(CN2CCCC2)nc(-c2ccccc2)n1-c1ccc(Br)cc1 103191537 LWXLKTTWEVPRHL-UHFFFAOYSA-N 415.360 4.886 0 1 HJAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(F)c(Cl)c2O1 143511004 VKTLEIJXCCLWQH-MRXNPFEDSA-N 417.868 4.788 0 1 HJAF COc1cc(Nc2ncccc2-c2nnc(Nc3ccccc3)o2)cc(OC)c1OC 169325168 NYGCCPQSZLWLSA-UHFFFAOYSA-N 419.441 4.645 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)OC(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 255284353 YFQHKGUJGTVODY-VRALFRDISA-N 418.574 4.708 0 1 HJAF N[C@@H](CSC1(c2cccc(Cl)c2)c2ccccc2CCc2ccccc21)C(=O)O 473153671 CCHRUWHJOUAPQZ-QFIPXVFZSA-N 423.965 4.876 0 1 HJAF CC(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031833 PTPDZCHWJYHSDR-LUMBYOQCSA-N 412.540 4.892 0 1 HJAF COc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2n1 587062650 ZMPQMAGTGLGURR-UHFFFAOYSA-N 418.888 4.697 0 1 HJAF Clc1cnn2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc(-c3ccccc3)nc12 587081568 QLZCXMCHRPDGDV-UHFFFAOYSA-N 417.856 4.754 0 1 HJAF Cc1nc2cccc3c2c(c1Cc1ccc(OCC(=O)O)cc1)-c1ccccc1C3=O 587106228 JOTXWJJISBZVDK-UHFFFAOYSA-N 409.441 4.809 0 1 HJAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1 587161448 OEXUIBDXOAXFQB-ZJUUUORDSA-N 413.621 4.626 0 1 HJAF CC[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1cc(I)c(C)n1 587184057 CBIVTYYYUFQDDJ-HNNXBMFYSA-N 422.314 4.969 0 1 HJAF O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2N1 587337931 SJOMMRMVTZWOBB-VWNXMTODSA-N 421.399 4.657 0 1 HJAF Cc1ccc(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350014 HDZGGZNCMKNIQE-URXFXBBRSA-N 406.409 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OC(C)=O)c(OC)c1)CC2=O 587459881 ISIOWUKIOYDDEQ-GOSISDBHSA-N 404.846 4.639 0 1 HJAF O=C1C[C@@H](c2c(Cl)nc(N3CCCC3)nc2Cl)Oc2c1ccc1c2CCCC1 587497807 GXEYJTYQAJKYHP-INIZCTEOSA-N 418.324 4.969 0 1 HJAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]c1Br 587539573 FINRTSKXUFYTKF-OXQOHEQNSA-N 414.255 4.668 0 1 HJAF CC(C)(C)OC(=O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574521 BLQNWIWMAZOLGL-NQIIRXRSSA-N 407.422 4.680 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587601820 FUMSQNMGUVXFME-RDGATRHJSA-N 418.445 4.731 0 1 HJAF Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587658280 JRRQRJSTOFWORL-MRXNPFEDSA-N 402.425 4.619 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2F)N1 587737883 HYGHBKUCAOGZST-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF C[C@H]1CN(Cc2ccccc2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587758285 CTAVYMYMWJLFGH-WJONJSRFSA-N 417.366 4.860 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587767256 IPVACTQVPJJIDR-WHEQGISXSA-N 424.317 4.994 0 1 HJAF CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798556 OXTJHCJBYDLWPN-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF CCC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804653 CCBLPBYSLKHVDZ-GIPWTMENSA-N 422.294 4.536 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(Br)c1F)N(C)[C@@H](C)C2 962620865 AILSWYRQGGQKPK-XTZNXHDOSA-N 412.274 4.710 0 1 HJAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1 1772596668 DYKPDKXNTYMFNQ-CYBMUJFWSA-N 415.902 4.547 0 1 HJAF CCC(CC)[C@H](C(=O)NC1CCCC1)N1CCN(c2cc(C)nc3ccccc23)CC1 95571441 FSMXQXIGJXVPDN-RUZDIDTESA-N 422.617 4.529 0 3 HJAF O=C1C[C@@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21 3916062 OZMFVKDFRHXPOM-INIZCTEOSA-N 404.485 4.647 0 1 HJAF CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@@H]1[C@H]2c1cccs1 8617988 SCLFJRBWWBVSIU-HUUCEWRRSA-N 401.557 4.968 0 1 HJAF COC(=O)[C@H](c1ccc2ccccc2c1)N1C(=O)S/C(=C\c2ccc(C)o2)C1=O 13479503 LTQWJMDDESGASA-OVCORXIESA-N 407.447 4.692 0 1 HJAF CCCCCCOc1c(OC)cc(C(=O)Oc2ccc3c(ccc[n+]3C)c2)cc1OC 13741649 WASUSTUTQTVNNO-UHFFFAOYSA-N 424.517 4.860 0 1 HJAF CCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 13819012 XKMGKBBKDQRGPE-NRFANRHFSA-N 423.601 4.553 0 1 HJAF CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)(C)C 13974085 JNYINEBNIROMEU-PKOBYXMFSA-N 410.566 4.617 0 1 HJAF CC(C)(C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 28090157 VFJFHKSDNUMTES-HXUWFJFHSA-N 401.514 4.940 0 1 HJAF Cc1[nH]c2ccc(Cl)cc2c1CCN1CCC[C@@H](c2ccnc(NC3CC3)n2)C1 40917374 VVIDYCWBWCGBLY-MRXNPFEDSA-N 409.965 4.916 0 1 HJAF in-vitro Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCc2ccccc2)c1 82146578 MFUMPFYVFKSRDL-BGYRXZFFSA-N 414.553 4.864 0 1 HJAF COc1cc(/C=C2\CCCN3C[C@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1 95575138 ABELTLNMCSUYMP-QYAMMSNYSA-N 414.509 4.754 0 1 HJAF NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C3CC3)c2)c2cccc(F)c21 95577002 HLZIYZMSCOXBTI-SANMLTNESA-N 421.479 4.566 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1COc1nc(Nc2ccccc2)nc(C)c1C 103289129 DZTVJFZBVDEPAR-RCCKNPSSSA-N 419.481 4.576 0 1 HJAF C/C=C(\C)c1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1 169162578 IPZIWQBJPCWXFW-FZSIALSZSA-N 403.530 4.780 0 1 HJAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1cccc(-c2cccnc2)c1 169728355 CPLQNDJXFBQSLA-DHIUTWEWSA-N 402.494 4.739 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)c1csc2ccccc12 205409046 PQNBMFORWVCMMH-JOCHJYFZSA-N 412.942 4.818 0 1 HJAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCCCC2)cc1O 261179231 VQEBNIIHZIYIAS-UHFFFAOYSA-N 422.447 4.918 0 1 HJAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 299872529 OZZAYJQNMKMUSD-YOGQACPKSA-N 416.558 4.931 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](NCc1ccccc1)C3 586987595 PAQGQSNPAVZDBZ-KRWDZBQOSA-N 406.485 4.799 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCC(O)CC4)cc3)nc3ccc(O)c1c23 586987807 GSPPDDPWZRYVJN-UHFFFAOYSA-N 422.484 4.780 0 1 HJAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)s1 586994604 YNFUFRRUVLWBAJ-UHFFFAOYSA-N 401.443 4.816 0 1 HJAF Cc1c(Br)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1C 586998069 WZBDRJPNWXQXFF-OAHLLOKOSA-N 410.109 4.786 0 1 HJAF O=C(CCCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Cl)cn1 587081552 CEOGSSQBAKRPIW-UHFFFAOYSA-N 414.090 4.628 0 1 HJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(I)cc2[nH]1 587149468 HGKZAVBDKHYVDX-MRVPVSSYSA-N 400.166 4.586 0 1 HJAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1 587160248 OAPNBABKUYKEIM-UHFFFAOYSA-N 417.484 4.877 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2Cl)c1 587160967 JHFUUQGVPJCWIF-UHFFFAOYSA-N 411.746 4.561 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)c(Cl)cc4[nH]3)c2)c1 587232603 VMSBNKVSYVEXAX-UHFFFAOYSA-N 405.885 4.842 0 1 HJAF CCc1ccccc1NC(=O)c1nc2cc(Br)c(Br)cc2[nH]1 587241554 VVHPYMQQRIVOIA-UHFFFAOYSA-N 423.108 4.903 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(COc3ccccc3Br)CCC1)O2 587378291 UCRBYXNRXHBFGU-IBGZPJMESA-N 416.315 4.923 0 1 HJAF CSc1ncc2c(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379061 WWXVIHMFTYFMQS-NFBKMPQASA-N 422.481 4.634 0 1 HJAF COC(=O)c1cccc(-c2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587400337 QRPCMVWDBZAKTO-VWLOTQADSA-N 401.462 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O 587424046 NIGBRUNJXRQCDN-UQBPGWFLSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccccc1OCOC)CC2=O 587491030 RCSNEALWGIBDFN-RUZDIDTESA-N 419.477 4.631 0 1 HJAF O=C1C[C@H](c2cc3ccccc3nc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587518393 HKFVPRLGZQMGHQ-XMMPIXPASA-N 414.505 4.657 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 587726987 AMUDAFLMFKSQIM-GIPWTMENSA-N 418.285 4.845 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1 587739517 AEHCLVPKYIEKOV-PIGZYNQJSA-N 420.326 4.591 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(N)cccc12 587742526 ALNDWNIASDYVOU-YTEVENLXSA-N 409.302 4.977 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587765452 CJZJQLVMHQGUJN-JECHBYEQSA-N 413.331 4.563 0 1 HJAF COc1ccc2c(c1)C=C([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2 587833072 FHWOPHQHCZGQFQ-YBTHPKLGSA-N 404.279 4.648 0 1 HJAF CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)NCCc2c(Cl)cc(Cl)cc21 963105360 IRHRLYNUCHQETD-OAQYLSRUSA-N 403.309 4.736 0 1 HJAF COc1cc(OC)cc([C@@]2(c3cccc(C)n3)c3c(F)cccc3C[C@H]3CCCN32)c1 963110238 QTSFERKBXXJLFR-FQRUVTKNSA-N 418.512 4.859 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)CCCC(=O)c1ccnc(Cl)c1 963643177 ZIVJTCFWZVSUDK-PEBXRYMYSA-N 402.922 4.555 0 1 HJAF Cc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 1772618188 NFUWQRGIGFGCMQ-MXVIHJGJSA-N 410.514 4.750 0 1 HJAF CCCCc1ccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)cc1 1857568631 PBIWSAYTJSKFIQ-UHFFFAOYSA-N 403.534 4.715 0 1 HJAF O=C(O)C1(CNc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1 1857587270 CPRBAMLRKSVNCK-UHFFFAOYSA-N 419.872 4.617 0 1 HJAF COc1ccc([C@@H]2CC(c3cc4ccc(O)cc4oc3=O)=NN2c2ccccc2)cc1 1857744951 XJZMBXWEAOANQL-QHCPKHFHSA-N 412.445 4.863 0 1 HJAF COC(=O)c1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC4CCC4)C=C3C)[nH]c2c1 2356318318 FZZCXHLOYQRFJE-ZVDOUQERSA-N 409.574 4.889 0 1 HJAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@H](C)C=CC(=O)N2CCC[C@@H]2C(=O)O1 2356322833 BWNYFNVEJYUZSV-KGWSWXIGSA-N 407.595 4.887 0 1 HJAF CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)CC=CC(=O)O)[C@@H]21 2356397267 LLLDEXYDMUTZRN-XNUKNCIJSA-N 404.547 4.521 0 1 HJAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C 2356553581 GRIXRNROZSZXME-LDVJMBRRSA-N 424.589 4.640 0 1 HJAF NS(=O)(=O)c1ccc(C2=C(c3ccc(OC(F)(F)F)cc3)CC3(CC3)C2)cc1 3814737 JFTYUKJRCTXQSJ-UHFFFAOYSA-N 409.429 4.717 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(F)c1 13742742 POHRSBLYZIRFBO-QKONGSNMSA-N 410.533 4.678 0 1 HJAF COc1ccc2c(c1O)-c1c(OC)cc(O)c3c1[C@H]1[C@H](CC3=O)c3ccccc3O[C@H]21 14617085 UFSFBNPOCJFHOB-MYRFMUSDSA-N 416.429 4.683 0 1 HJAF biogenic,in-vitro COc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)c(OC)cc32)c1 27557041 SKAUHIHIADGDFR-UHFFFAOYSA-N 401.462 4.511 0 1 HJAF O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1 28571343 KNGDCCSMFCSMIR-NJYVYQBISA-N 421.459 4.611 0 1 HJAF CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3C)oc2C)c1)C(=O)O 34717676 QWORIWQTCIYNKN-QHCPKHFHSA-N 418.493 4.994 0 1 HJAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCN3CCCCC3)cc(O)c12 36464665 FXTCKKMZEOJVNP-UHFFFAOYSA-N 409.482 4.516 0 1 HJAF Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2[nH]c(=O)ccc2c1 40424451 ZCODMNNZMDUNCR-UHFFFAOYSA-N 424.504 4.751 0 1 HJAF CC(C)c1ccc([C@@](CCN2CCCCC2)(CCN(C(C)C)C(C)C)C(N)=O)cc1 40465219 BLPHPTXNQITPKP-AREMUKBSSA-N 415.666 4.918 0 1 HJAF CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3ccncc3)nc21 40977250 MGVOPCAEDYNOEQ-UHFFFAOYSA-N 409.291 4.975 0 1 HJAF Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(Br)cc3)C2)cc1 73310962 DMSGOCXLZYJECI-QGZVFWFLSA-N 414.328 4.538 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82143135 JKPFMHXVBGCSNF-UHFFFAOYSA-N 404.514 4.635 0 1 HJAF O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929570 UKCKMAPJVUQTAB-PWRODBHTSA-N 413.359 4.824 0 1 HJAF CC(=O)O[C@@H](CO)COC(=O)[C@H]1C(C)=CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 135803757 WYTVDHJDWVCVFI-AFIUTERYSA-N 420.590 4.669 0 1 HJAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1C 204541701 IXIHCRICOXHXQT-UHFFFAOYSA-N 403.438 4.655 0 1 HJAF Fc1cccc(F)c1-c1nc(-c2ccc3nccc(N4CCNCC4)c3c2)cs1 299820136 HDECOLDRAJGUTB-UHFFFAOYSA-N 408.477 4.713 0 1 HJAF O=[S@](CCCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1 586961654 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HJAF CCOC(=O)c1ccc2c(c1)sc1nc(-c3cc4cccc(OC)c4oc3=O)cn12 9474273 VTYIRBSOMVAFCP-UHFFFAOYSA-N 420.446 4.508 0 1 HJAF O=C(CCCN1[C@H]2CC[C@@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 12356279 CXQUOFVDYCOSEZ-TYABSZSSSA-N 401.909 4.957 0 1 HJAF O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccc2ccccc2c1 13611755 WWJUEGBQBBZAGT-UHFFFAOYSA-N 419.550 4.760 0 1 HJAF O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 13673898 AKMFGWWEWTVUTP-UHFFFAOYSA-N 417.509 4.968 0 1 HJAF Cc1cc(C)cc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1 13815806 CPFCIOFJGQIPIZ-UHFFFAOYSA-N 424.931 4.541 0 1 HJAF CCOC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2 36271193 IIVLONMULFPENV-BIATYSSJSA-N 414.549 4.991 0 1 HJAF Cc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1 43017994 QYVBJDVMKCSCNP-OAHLLOKOSA-N 424.426 4.984 0 1 HJAF CC[C@H](C)CNC(=O)c1cncc(-c2cccc(CNC3Cc4ccccc4C3)c2)c1 45190532 OBYXJYVECVMEOE-IBGZPJMESA-N 413.565 4.782 0 1 HJAF CCCC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)nc(-c2ccc(C(C)=O)cc2)n1 66104792 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Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccccn1 586987735 RQMIHVOYWSXAKY-UHFFFAOYSA-N 404.429 4.708 0 1 HJAF CCOC(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586997224 VNKUADCHYUVQIL-UHFFFAOYSA-N 403.276 4.816 0 1 HJAF Fc1c(F)c(F)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1F 586999346 XZXVXTNWCRCBDE-OWOJBTEDSA-N 415.140 4.781 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3nc(C)ccc3c2[nH]1 587112476 KHVAHEHJEBILFA-NRFANRHFSA-N 412.415 4.838 0 1 HJAF COC(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1 587159630 RJIAHKVUOHCRFC-GOSISDBHSA-N 411.820 4.705 0 1 HJAF O=C(O)C1CC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 587355117 SRQPAVLCTOZTMO-ZSDNZUJHSA-N 410.441 4.684 0 1 HJAF COc1ccccc1Nc1nc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587414357 UIJVREZDPUIXDZ-MRXNPFEDSA-N 415.902 5.146 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(F)F 587557211 QRFPLVXKPSXJJD-GHTZIAJQSA-N 414.360 4.705 0 1 HJAF O=C(CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Cc1ccc(F)cc1 587567715 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O=C(O)c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587020486 BPQZWFAEXLQUNZ-UHFFFAOYSA-N 413.462 5.190 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Br)cc3)nc1C)O2 587370598 GRFLWPUZQIBTFB-LJQANCHMSA-N 412.287 4.540 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccc3ccccc13)CC2=O 587478149 IBQHAHUEKOMJDS-VWLOTQADSA-N 404.462 4.922 0 1 HJAF COC(=O)C1(c2ccccc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587523462 JAKNIPQCLCVGHV-UHFFFAOYSA-N 404.506 4.954 0 1 HJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 587572327 RZOHOEFWVKUSRY-QPPBQGQZSA-N 416.408 4.728 0 1 HJAF O=C(O)CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600429 ALESRDZGXNJOEU-RDGATRHJSA-N 418.445 4.894 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)cc1 587617570 KIYMWXFAILGFIS-XUZZJYLKSA-N 419.502 4.648 0 1 HJAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587624589 NINSPFYFKRGPST-UHFFFAOYSA-N 400.866 4.770 0 1 HJAF O=C(c1ccc(Br)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587651263 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FCCOc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962649277 ZTIPKTLYHHOJEF-ZEQKJWHPSA-N 402.513 4.871 0 1 HJAF COc1cc([C@H]2NCCc3c(C(=O)O)cccc32)ccc1OCc1cccc(Cl)c1 963118317 BRWROVABLQPWRX-HSZRJFAPSA-N 423.896 4.861 0 1 HJAF CN[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC)CC[C@@]45C[C@]35CC[C@]12C 2356382510 CZXKGNGEDOGNHC-SIZNZTJGSA-N 402.667 4.594 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@@H]12 2356846257 OLSHLOATNKEAHT-IGESHXRTSA-N 406.563 4.586 0 1 HJAF COc1cccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)c1OC 250408654 VHCLARFHWMFPRB-LPHOPBHVSA-N 407.297 4.520 0 3 HJAF COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 772528 KMLVBNVNSGPFLQ-FYYLOGMGSA-N 420.896 4.757 0 1 HJAF COc1ccccc1N1CCN(CCS[C@@H]2CCCc3c(OC)cccc32)CC1 13740688 XMEWZTDTPHMFTH-XMMPIXPASA-N 412.599 4.637 0 1 HJAF CCCN(CCC)[C@@H]1CCc2c(ccc([C@H](O)Cc3ccc(OC)cc3)c2OC)C1 27332541 XOWASPOXQFROJP-PXDATVDWSA-N 411.586 4.959 0 1 HJAF O=C(NC[C@@H]1CCCc2[nH]c3ccc(O)cc3c21)c1ccc(OC(F)(F)F)cc1 29040701 CGQVNMMQSUKPNN-ZDUSSCGKSA-N 404.388 4.622 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C(F)(F)F)CC3=O 45318997 ACPZLZLXFZDHQU-ZDUSSCGKSA-N 408.372 4.826 0 1 HJAF Cc1cccc(CSc2nc(Cc3ccccc3)c(Br)c(=O)[nH]2)c1 49125744 RMTDPFRBAWILDG-UHFFFAOYSA-N 401.329 4.724 0 1 HJAF COc1ncc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc12 72178153 RELLACPMNKFOEB-UHFFFAOYSA-N 403.507 4.871 0 1 HJAF O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95877652 UYOOYAFCDQKGEW-IEXUWNMDSA-N 420.459 4.622 0 1 HJAF COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 100703981 VFIXYECWCWIOPH-NSHDSACASA-N 413.886 4.538 0 1 HJAF O=C(O)c1ccc(N[C@H](CC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 103171035 VZJBQJOXCLZGDN-OAQYLSRUSA-N 413.429 4.917 0 1 HJAF O=C(NCCNc1ccnc2c(F)cc(F)cc12)Nc1ccccc1C(F)(F)F 103179442 ZYLYEUJWPGQQLQ-UHFFFAOYSA-N 410.346 4.765 0 1 HJAF O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccc(F)cc2)CCCO1 103215606 OUKBBTCMTSACHT-IBGZPJMESA-N 413.555 4.711 0 1 HJAF COc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1-n1cnc(Cl)c1 103235450 MEZJWWWRFMJVSH-UHFFFAOYSA-N 409.795 4.734 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 104007821 KWSXVCIPSPPRPM-BTYIYWSLSA-N 413.489 4.992 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2nccs2)c1 167082257 UXOGHIYIIAOJFE-QAPCUYQASA-N 408.523 4.937 0 1 HJAF C/C=C(/C)C(=O)OC[C@@]1(C)CC[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@H]1[C@H]2C(=O)C[C@H]3C 238745390 ULHQJKWCAOIZNP-VPFDLFEQSA-N 416.558 4.651 0 1 HJAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@H]4CCCO4)[C@H]3C[C@H]12 299878919 JYMHKTKNMKGODF-VSHXEECHSA-N 413.558 4.575 0 1 HJAF Oc1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1 587017255 JXLBJTHGKUTHFD-UHFFFAOYSA-N 402.273 4.734 0 1 HJAF Cc1cccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 587141030 NHYULUVSSWAHFJ-QGZVFWFLSA-N 409.914 4.730 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4cc(F)cc(Br)c4[nH]3)c2Cl)c1 587160298 AJXQCPGWLRFRIH-UHFFFAOYSA-N 424.636 4.564 0 1 HJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587201939 ZMOQSRPJDNQFKI-UHFFFAOYSA-N 423.561 4.975 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccco2)([C@@H](O)c2ccco2)[C@H]1c1ccc(F)cc1 587356295 OSJPLQBCBPBNFS-XWGVYQGASA-N 420.392 4.705 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Cl)nc1Cl 587553224 ULHWNGWWTYALER-IAQYHMDHSA-N 423.639 4.845 0 1 HJAF CCn1nc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587583749 XITDICUGYJHAKC-JTHBVZDNSA-N 414.461 4.725 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC1CC1 587591191 GEEGAKYQEYCYEA-RDGATRHJSA-N 418.445 4.893 0 1 HJAF CC(C)(C)c1cc(C=O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587605979 CMNCYZBCGBPBQB-GBXCKJPGSA-N 418.445 4.911 0 1 HJAF Cc1cccc(C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587701769 CWIKVEQRXNQXEF-DIFFPNOSSA-N 417.244 4.826 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F 587719639 QYDJKGREBYCLMA-VVVCHXIZSA-N 416.237 4.822 0 1 HJAF 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424.501 4.505 0 1 HJAF COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(F)c1 25976482 RYBGVLSWXSTVGU-UHFFFAOYSA-N 412.498 4.542 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@H]1O 34104759 FIVWLOUIQSKMNV-NHCSVWEFSA-N 402.531 4.631 0 1 HJAF COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C 36409832 MUUOYNXCYHNXFB-UHFFFAOYSA-N 419.254 4.641 0 1 HJAF C[C@H]1CC[C@@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 64502281 IDEDPGPONCPOBU-NOOVBMIQSA-N 414.343 4.759 0 1 HJAF CCN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 82134096 RDCBIYIPEVDYDE-UHFFFAOYSA-N 414.431 4.549 0 1 HJAF CCCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@H]1CCCO1 82195830 ZBROWCSJZIVRKM-OLZOCXBDSA-N 413.996 4.791 0 1 HJAF CCC/C=C\CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 96914326 LDBPDNDFCXVQGQ-OOFWQKGWSA-N 423.332 4.738 0 1 HJAF N=c1c(Cc2ccc(Cl)c(Cl)c2)c[nH]c(=O)n1-c1ccc(Cl)c(Cl)c1 101391328 JHABWFSQNHCCEO-UHFFFAOYSA-N 415.107 4.849 0 1 HJAF COc1ccc(-c2c(-c3ccccc3)oc3c(CC(=O)O)c(OC)ccc3c2=O)cc1 103263484 YJOIVOAKUZWFJW-UHFFFAOYSA-N 416.429 4.771 0 1 HJAF CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](c2cccc(Cl)c2)NC(=O)N1 103294949 FBIRJRUUDIMELI-INIZCTEOSA-N 410.688 4.913 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 105178092 LEAXMMRZYWLUQL-HQEOYTPBSA-N 422.548 4.683 0 1 HJAF COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 473135373 OMPCUOMTQJRQEV-VXKWHMMOSA-N 420.896 4.691 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 586962716 YQTVLQQQIWHJIQ-BVGQSLNGSA-N 417.481 4.536 0 1 HJAF CSc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 586999866 CSZPVJAITSXAPV-GORDUTHDSA-N 403.301 4.989 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 587113684 WVJFGHUJYOHFHS-UHFFFAOYSA-N 416.197 4.526 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(C)(C)C 587205096 NUSVXKRHOWLMKB-CYBMUJFWSA-N 414.319 4.946 0 1 HJAF C[C@@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349702 JENGUCUNYHYKNV-NOZRDPDXSA-N 420.436 4.782 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(C)nn(-c4ccccc4)c3nc1Cl)O2 587380419 DUANBHLUMBYMNI-HXUWFJFHSA-N 418.884 4.979 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc4ccn(C(=O)OC(C)(C)C)c4c1)[C@@H](C2)C3=O 587431407 OKWYTNBMJCJZAL-HTAPYJJXSA-N 405.450 4.922 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(Br)cc1OC)CC2=O 587455372 BCWRQWNDRYUQMD-SFHVURJKSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)cc1O)CC2=O 587455762 FOLBYTHPTKZPMG-QGZVFWFLSA-N 407.260 4.528 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)cc1Cl 587547425 SLMNLWOFCZXKIS-REWPJTCUSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1F)CC2 587570399 WPCPTDXWNBXDJA-OAQYLSRUSA-N 423.415 4.671 0 1 HJAF C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595370 NHJAMRKPXYNUFR-LYWOYCCESA-N 424.493 4.871 0 1 HJAF COc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587614882 DIXYAFHXPNSVHU-RCZVLFRGSA-N 414.413 4.899 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cccc(Cl)n3)c(=O)c3ccccc23)c(O)c1 587666178 UXLPJDMJTDXQBP-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706749 RANOSUDTMDVFSF-QFYYESIMSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1 587732006 MMEVSBKYZCRTDW-APBUJDDRSA-N 404.258 4.741 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(F)c2)N1 587734240 UNYXPZLOIJIVNB-NSPYISDASA-N 409.274 4.506 0 1 HJAF COc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587754192 DGHMGZQMQVXOAE-NSPYISDASA-N 403.295 4.712 0 1 HJAF COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C 587754881 FILUYFUNXPSYRJ-BIBXISHDSA-N 403.295 4.712 0 1 HJAF Cc1nc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1 587798859 WWIYDTATUWQCOF-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF COc1ccc2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587801728 HWNZTWZGAVOQPO-PRWKNARSSA-N 403.295 4.876 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 587832096 YQBHOKOOLKHRJH-XUSGNXJCSA-N 420.322 4.748 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)nc3sccn23)N1 587853676 AWFXVUQSCATYQM-JDNHERCYSA-N 406.324 4.798 0 1 HJAF Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C(=O)O)cc2)cc1 653712997 CRTVNOYLDROJQQ-UHFFFAOYSA-N 402.494 4.801 0 1 HJAF Cc1cc2c(cc1F)[C@@H](c1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)NCC2 962146452 ODROGGLRYHPADP-FQEVSTJZSA-N 402.535 4.724 0 1 HJAF Cc1cc2cccc([C@H]3N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2[nH]1 963179475 LRILCIALBZYEHE-RDTXWAMCSA-N 408.807 4.837 0 1 HJAF CC[C@@H](Cc1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963507494 HYGNUVOMQOXOPH-RCSBWOJUSA-N 415.533 4.812 0 1 HJAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](CF)OCC3)ccc1C(F)F 1772579554 BSWOCOGDVRDBHG-MRXNPFEDSA-N 417.431 4.778 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2c(C)noc2C)nc2ccc(OC)cc12 1772594426 XMKHZUAMUGEIGT-OCSVEGAWSA-N 421.541 4.669 0 1 HJAF COc1ccc(/C=C/C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC 1772629850 SBRJGGDKKJIEFJ-FOWTUZBSSA-N 416.521 4.988 0 1 HJAF Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccc(Br)cc1)NC2=O 1857745698 QJQCNLRJDPNCKB-KRWDZBQOSA-N 417.694 4.655 0 1 HJAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(C)=O)[C@@]2(C)[C@H]1C 2356482922 BHFBPDQHVUVZJC-BIMQVMAXSA-N 404.503 4.789 0 1 HJAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 4048927 ODSYCIAFDKOWMO-NOZRDPDXSA-N 419.569 4.504 0 1 HJAF CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@@H](c2ccccc2)[C@H]1C(=O)NC 28713141 VWHHIQQPONBIDZ-GSDHBNRESA-N 413.565 4.737 0 1 HJAF C[C@@H]1CC[C@]23C[C@@]2(C)CCC[C@H]3[C@]1(C)CCC1=CC[C@@H](C2=CC(=O)O[C@H]2O)OC1 34239714 FPUWYDSKOKLTDH-AXGTXJLNSA-N 400.559 4.916 0 1 HJAF CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2c1OCC2 35826771 YROYMPDJQKBNTG-NRFANRHFSA-N 404.432 4.702 0 1 HJAF CC[C@H](C)[C@H](Nc1nc(-c2ccccc2)nc2ccc(Br)cc12)C(=O)O 40861884 MRETUNAOMKJWKI-SJCJKPOMSA-N 414.303 4.971 0 1 HJAF CCOC(=O)[C@H](C)Oc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 95563534 TUXYBYBEENLUNP-INIZCTEOSA-N 409.507 4.901 0 1 HJAF CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(NC)cc1 103245582 NPDBSLTVRQRTPR-UHFFFAOYSA-N 418.559 4.809 0 1 HJAF Fc1cccc(CNc2cccc(-c3cc(NC4CCNCC4)ncc3Cl)n2)c1 115457612 PXPAHPCLBJKTEW-UHFFFAOYSA-N 411.912 4.712 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@@H]1C(C)=CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 140203738 DYTUXZFSCGIMIU-DXBALXSTSA-N 420.590 4.669 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(OCC(N)=O)c2)cc(-c2ccc3occ(C)c3c2)n1 142381919 KDFAQHRLVQRQBT-OAHLLOKOSA-N 416.481 4.544 0 1 HJAF C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)NC1 255282103 XWTNAYWYYCWVTF-URAYIYMCSA-N 415.662 4.921 0 1 HJAF COc1ccc([C@H]2C[C@]3(N4CCCC4)CC(=O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1 299807811 ZBBZNPAJOIYFLP-DXQXWHQDSA-N 405.538 4.789 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587025537 HIWRBQYZBKWDLU-QEJZJMRPSA-N 418.925 4.887 0 1 HJAF Nc1ncc(-c2nc3ccc(F)c(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587061600 WCGUYTKNAXFAKD-UHFFFAOYSA-N 418.657 4.824 0 1 HJAF FC(Br)(Br)c1nc2cc(Br)cc(Cl)c2[nH]1 587088083 IUEJZCRMLQAXRE-UHFFFAOYSA-N 421.289 4.848 0 1 HJAF Cc1cc(F)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 587230111 AARUDOPQFAXJRP-UHFFFAOYSA-N 404.445 4.900 0 1 HJAF O=NCC1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587334864 IIMKGBHQGWBIKT-UPVQGACJSA-N 417.392 4.828 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCNc3ccc(Br)cc31)CC2=O 587457002 DFDUJTNVWOQMSA-HXUWFJFHSA-N 402.288 4.784 0 1 HJAF O=C(O)CSC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533374 SIXLPCVMUCQYLZ-QFIPXVFZSA-N 416.926 4.897 0 1 HJAF CN(CC(F)(F)F)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587547569 LVXZNRRONFRDHD-TUVDCLKLSA-N 421.415 4.529 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cccc(F)c1 587569245 HCWBSZBCJZZFNZ-WMZHIEFXSA-N 402.381 4.624 0 1 HJAF CCCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587667814 TYMGCPRYRHDZJH-UHFFFAOYSA-N 407.514 4.836 0 1 HJAF COC(=O)c1ccc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587691836 IWGYGKPSBWOLLD-VVVCHXIZSA-N 412.686 4.652 0 1 HJAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587721177 WEJMZENAHDSIQA-XXFAHNHDSA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)F)N1 587722789 SXEAUWHXPRZZNW-XLFHBGCDSA-N 418.278 4.917 0 1 HJAF CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587800841 ZURGZZKWPSLFJB-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832366 BPCJMJQCQPLUIB-ZSEKCTLFSA-N 404.323 4.957 0 1 HJAF Cc1cc(=O)oc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc12 587837326 FUXZLUXOWQNFNJ-YBTHPKLGSA-N 402.263 4.627 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccn2)s1 587866933 MVELTPHXUKIYEC-UHFFFAOYSA-N 417.416 4.870 0 1 HJAF COc1ccc2c(OC)ccc([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)c2c1 962558097 AMWJAQXLCUCNLM-MQNRADLISA-N 407.510 4.840 0 1 HJAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3cnc(Cl)cc3c2)N1 962698535 MZTGJEPHGQXWKV-AEFFLSMTSA-N 424.781 4.734 0 1 HJAF O=C1CC[C@]2(CCN1Cc1ccccc1)c1ccsc1CCN2Cc1cccnc1 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FARWNUHUFGFUDB-HSZRJFAPSA-N 407.901 4.989 0 1 HJAF O=C(O)CCC(=O)CC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528527 AYCARPAGMSDQRN-RUZDIDTESA-N 406.478 4.640 0 1 HJAF C[C@@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544740 GAHOZWZCGZAQMD-NQIIRXRSSA-N 416.351 4.994 0 1 HJAF CC(C)COc1cccc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587565926 NCLLHYAESDYDJT-UHFFFAOYSA-N 419.275 4.637 0 1 HJAF CC(=O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576598 JOOGOSCYFYQAGA-WIOPSUGQSA-N 413.429 4.884 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Br)c2)N1 587676894 ILKVRTSRSIEMJK-VPTHRUTESA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C[C@@H]2F)N1 587738614 PLVDORGTCAPGOK-PUCZYUMASA-N 421.329 4.562 0 1 HJAF Cc1ccc([C@]2(c3occc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587744607 HSRWBMKEZGYVEA-ASSNKEHSSA-N 415.306 4.898 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)cc2)N1 587760246 OGLFBLMSBCLQRW-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763637 KSGTXXLZXXMONR-MPBGBICISA-N 400.295 4.706 0 1 HJAF COc1ccccc1C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809879 VORSAIWICNXTEL-MPBGBICISA-N 406.295 4.619 0 1 HJAF COC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962665058 JVOKHNYNTBGCAB-QHCPKHFHSA-N 400.453 4.996 0 1 HJAF CCCCCc1ccc([C@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963513200 ZOECWDJGYOMIAP-AVRDEDQJSA-N 421.459 4.838 0 1 HJAF COc1cc(N=c2[nH]cnc3cc(-c4ccc(F)cc4)sc23)cc(OC)c1OC 1857573573 OMPZBDSNKSWNRU-UHFFFAOYSA-N 411.458 4.689 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(Cl)ccn3)cc21 1857747279 QTICEWFECZQHII-UHFFFAOYSA-N 409.829 4.691 0 1 HJAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356316351 ZLSJSAYWMLLLIL-ZCNNSNEGSA-N 410.562 4.691 0 1 HJAF CC(C=C[C@]1(C)[C@H](C)C(=O)C[C@H](O)[C@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356750755 BNHRMTPTNRGWNC-YMPLYOIOSA-N 420.933 4.529 0 1 HJAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 775271 MJXBCGCBZMNQDU-UHFFFAOYSA-N 420.843 4.689 0 1 HJAF Cc1c(N2CCOCC2)oc2c(C)c(OCc3cccc4ccccc34)ccc2c1=O 13832088 KIILZBZTBPIJMV-UHFFFAOYSA-N 415.489 4.979 0 1 HJAF Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccs3)ccc2=O)cc1 25434757 MWKQFEZYLBYUJU-SJORKVTESA-N 405.523 4.536 0 1 HJAF biogenic CC(C)(C)c1ccc(-c2nc3ccc(I)cc3c(=O)o2)cc1 26657670 YXLGUIDGBRFFSB-UHFFFAOYSA-N 405.235 4.757 0 1 HJAF CCOC(=O)[C@H](C)N(O)C(=O)NCc1cccc(OC/C=C(\C)CCC=C(C)C)c1 26822847 OXLNDURKCYFFNR-BIRYMOPTSA-N 418.534 4.611 0 1 HJAF Cc1ccc(-c2nc(SC[C@H]3C[C@@](C)(O)CC(=O)O3)[nH]c2-c2ccc(C)cc2)cc1 27438663 OVDBTRIWXKFQPB-NTKDMRAZSA-N 422.550 4.909 0 1 HJAF C[C@](CCCC(=O)CCC[C@@](C)(C(=O)O)c1ccccc1)(C(=O)O)c1ccccc1 28464651 IQLPABDFKBFCLG-JWQCQUIFSA-N 410.510 4.981 0 1 HJAF Oc1ccc([C@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885999 SVIAKBGHBKXSEH-CLJLJLNGSA-N 406.570 4.929 0 1 HJAF Cc1cccc(-c2ccc(C[C@H]3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)c1 40762901 MZXKABAECJJLMM-OAQYLSRUSA-N 404.897 4.633 0 1 HJAF Cc1cc(C)c([C@@H]2CC(c3cccc(Br)c3)=NN2C(N)=S)c(C)c1 45497046 PARDFSWQBUTFEI-KRWDZBQOSA-N 402.361 4.769 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2cccc(C)c2)oc1C 82173285 YGBIALIFIBCOCX-UHFFFAOYSA-N 406.530 4.985 0 1 HJAF Cc1onc(-c2ccc(Cl)cc2F)c1COc1ccc(C(=O)NC(C)C)cn1 143165347 YGJCTCQNRBKGHP-UHFFFAOYSA-N 403.841 4.555 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@@H]1CCCCN1 169290416 DXHPRGWXTHSUDR-RMULLEDNSA-N 403.651 4.899 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@](C)(O)[C@H]1CCCCN1 169290419 DXHPRGWXTHSUDR-WMJLNORFSA-N 403.651 4.899 0 1 HJAF COc1cc(OCc2cnc(Cl)c(Cl)c2)ccc1CNCc1ccncc1 299832313 FXPHIJQKRRHCBS-UHFFFAOYSA-N 404.297 4.661 0 1 HJAF CC[C@@H](c1ccc2ncc(OC)cc2c1)c1nnc2c(F)cc(-c3cc(C)no3)cn12 299858858 HDXFRCJMFMUEJJ-SFHVURJKSA-N 417.444 4.931 0 1 HJAF O=C1O/C(=C\c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21 586906352 LKOKHYIFWGPUKN-AUWJEWJLSA-N 420.060 4.756 0 1 HJAF CCOC(=O)c1[nH]c2c(c1C)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586989323 DZOJQYLSZMSOAP-UHFFFAOYSA-N 424.456 4.731 0 1 HJAF CCOC(=O)[C@@H](F)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 586994858 FMJGLZIPBQHZAM-PEBXRYMYSA-N 403.453 4.761 0 1 HJAF Fc1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1Br 587007461 YVENAQDBRPDKMO-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF Clc1ccccc1OCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587063487 OHTDXMOXTOKWBV-UHFFFAOYSA-N 415.678 4.966 0 1 HJAF CC1=C(c2ccc3[nH]c(-c4cccn4-c4ccc(Cl)cc4C)nc3c2)NNC(=O)C1 587066146 KDVVSYZZJSJCPD-UHFFFAOYSA-N 417.900 4.738 0 1 HJAF CCCCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587158521 XIZLEDKMZPJKIG-RBZFPXEDSA-N 418.310 4.985 0 1 HJAF Cc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1C 587169861 CRMOUYFARKWBRB-UHFFFAOYSA-N 401.488 4.848 0 1 HJAF Fc1ncc(Br)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587177936 HUNAIAVVLUQRRP-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 587340883 USBVTNDPLJJTPC-RDGATRHJSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1c(N)sc3c1CCC3)O2 587385720 UNTPBHWWZLOHIY-QHCPKHFHSA-N 408.498 4.758 0 1 HJAF COc1cc2c3c(c1)OC1([C@H]4CCCCC[C@H]1CN(Cc1ccccc1)C4)[C@@H](C2)C3=O 587442358 IICNJJOVLVPSTM-FUDKSRODSA-N 417.549 4.894 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CC=CC[C@H]1C(=O)O)CC2=O 587487582 GLNQEQMZPLTKRN-FLPMJASOSA-N 406.478 4.872 0 1 HJAF O=C(O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550693 XVNJYOGWSLJWPV-NFBKMPQASA-N 424.836 4.768 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592734 JXNHOKPYIXZVEQ-WIOPSUGQSA-N 418.445 4.593 0 1 HJAF Cc1cc(Cl)cc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c12 587623961 UWCIIKLCJQNAQY-UHFFFAOYSA-N 404.739 4.969 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2sc3c(c12)CCC3 587662333 IRIMCBJIMLLMFA-UHFFFAOYSA-N 414.465 4.685 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2OC(F)F)N1 587722696 ZJAIRRHXXYLECJ-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587756888 SEEYIAKBJPZHNC-BXUZGUMPSA-N 415.347 4.857 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587792355 IITBPNSWSFEQDY-YUNKPMOVSA-N 400.295 4.910 0 1 HJAF CCc1ccc(C(=O)CCc2nc3ccc(I)cc3[nH]2)cc1 587957164 RLCWFOQGRRXGOI-UHFFFAOYSA-N 404.251 4.545 0 1 HJAF CC(C)CNC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1 653843528 VAXGOSASWRIFFT-QFIPXVFZSA-N 420.561 4.854 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccccc1OCc1c(C)noc1C)N(C)[C@@H](C)C2 962642085 YKMSIHBFIAYUCJ-IZHWHUGBSA-N 422.525 4.853 0 1 HJAF CN(C)c1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1 1772601149 AKQPVKCVWMDGEW-UHFFFAOYSA-N 416.504 4.540 0 1 HJAF COc1ccc2c(-c3ccc(OC)nc3)c(CO)n(Cc3ccccc3Cl)c2c1 1857589784 RCHVVTVYZZBVCR-UHFFFAOYSA-N 408.885 4.915 0 1 HJAF CC(=O)Nc1sc2c(c1-c1nc3ccc(-c4ccncc4)cc3s1)CCNC2 1857591244 IKXBTTZKGIJFBL-UHFFFAOYSA-N 406.536 4.691 0 1 HJAF O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(OCC2CCNCC2)c1 1857615817 KBIWGMJRBRPHLG-BQYQJAHWSA-N 404.432 4.736 0 1 HJAF NC(=S)c1cccc(-c2cn(CC3C(F)(F)CC3(F)F)c3cc(CO)ccc23)c1 1857619095 XSDSTJFKKGTMAO-UHFFFAOYSA-N 422.447 4.725 0 1 HJAF CCN(CC)CCCOc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857648635 YLLJFXUIFUWSMQ-UHFFFAOYSA-N 411.498 4.588 0 1 HJAF C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3F)(C1)C2 1911582366 BJDZZPNMTPFTGV-BQXHSLBWSA-N 404.844 4.546 0 1 HJAF CCC[C@H]1c2cc[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1ccc(O)c2c1CCCO2 2356292488 QWCZPDURECPWHZ-FPOVZHCZSA-N 407.510 4.733 0 1 HJAF COC(=O)c1ccc2c(c1)C[C@]1(O2)[C@@H](C)CC[C@H](OC(=O)c2ccccc2)C1(C)C 2356504643 ZCNGYPFWHGRPSJ-YVPSIOQSSA-N 408.494 4.829 0 1 HJAF C=CC1=CO[C@]23C[C@H](OC(C)=O)[C@H]1[C@]2(C)CC[C@H]1[C@H]3CC[C@H]2C[C@@H](O)CC[C@@]21C 2356536219 HEVBJYCZSNXYKU-IEPVCMDRSA-N 400.559 4.771 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)C4=CC=C(C(=O)N1)[C@@H]32 2356653284 IEOHVPIKTTWVQR-BQFNBFOYSA-N 411.586 4.677 0 1 HJAF CCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1 1361574 STQDZVUOFAEBNS-UHFFFAOYSA-N 403.891 4.893 0 3 HJAF CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 61923280 HQPFVUSWARQYSL-HNAYVOBHSA-N 415.331 4.857 0 3 HJAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NCc4ccccc4)cccc2-3)cc1 13492140 AJGDTKSWPJLKDR-UHFFFAOYSA-N 424.460 4.618 0 1 HJAF CCCN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2 13580090 LXOKGICSSJCXSB-KRWDZBQOSA-N 419.294 4.629 0 1 HJAF Cc1cccc(NC(=O)c2ccc(C(=O)N[C@H]3CCN(CC4CCCCC4)C3)cc2)c1 45202044 SAOMRPODXLMXHX-DEOSSOPVSA-N 419.569 4.632 0 1 HJAF NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66102051 PFCYJHBCDYNXAM-HSZRJFAPSA-N 415.516 4.636 0 1 HJAF COc1cc(C(F)(F)F)ccc1[C@@H]1CCN(Cc2nc3ncccc3n2C)C[C@@H]1C 71329372 XTGROMAGIGWBCC-GOEBONIOSA-N 418.463 4.621 0 1 HJAF COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC 71329931 PIARASAQARBJMG-UHFFFAOYSA-N 404.426 4.587 0 1 HJAF O[C@H](CNCc1c(Cl)cccc1Cl)Cn1c2c(c3ccccc31)CCCC2 73170073 MVOOPPZFBXFMTJ-OAHLLOKOSA-N 403.353 4.978 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 137021415 JFCUIZFHNHUFLO-WZULSNKJSA-N 414.542 4.535 0 1 HJAF Cc1ccccc1Nc1cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)nc(N)n1 142934702 ROPLXLIOXKPAIO-UHFFFAOYSA-N 421.464 4.892 0 1 HJAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21 144398128 JTJHWPZHGXPNLS-SNVBAGLBSA-N 416.305 4.542 0 1 HJAF CC(C)C[C@H](Nc1cnc2ccccc2c1)c1ccc(C(=O)NCCC(=O)O)cc1 148714881 CUAFDXZIZFDULP-QFIPXVFZSA-N 405.498 4.639 0 1 HJAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccc(Cl)cc1)c1[nH]c3ccccc3c1C2 169717785 LUWMLICOBBYOOA-OAQYLSRUSA-N 407.901 4.832 0 1 HJAF CC1(C)OC(=O)N(C2CCC(c3cc4ccncc4[nH]c3=O)CC2)[C@H]1c1ccccc1 218052603 FCUVYBXIBGKITN-NZBFNNPHSA-N 417.509 4.921 0 1 HJAF COc1cc2c(cc1OC)[C@H]1[C@@H](CCCN1C(=S)Nc1ccc(F)c(F)c1F)C2 299832935 XLXJZBOXDPPJGG-PRWKNARSSA-N 422.472 4.827 0 1 HJAF O[C@@H]1C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586900135 AEJWYDKDJLVPQM-BXUZGUMPSA-N 413.193 4.793 0 1 HJAF CCOCc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1 586902126 AKBJZGWKCYNGAH-UHFFFAOYSA-N 400.070 4.884 0 1 HJAF CCOC(=O)Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990560 ZBXKAOYQGAGYGV-UHFFFAOYSA-N 409.441 4.924 0 1 HJAF COc1ccccc1[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991434 KIQHOMRLSFHMBK-SFHVURJKSA-N 421.452 4.808 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 587025535 HIWRBQYZBKWDLU-CFVMTHIKSA-N 418.925 4.887 0 1 HJAF COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)nn1-c1ccccc1F 587155159 AWAAQWVVRPURJQ-UHFFFAOYSA-N 401.239 4.634 0 1 HJAF C[C@@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326450 BYHJADUNOAXXNM-FOIQADDNSA-N 419.239 4.902 0 1 HJAF CC(C)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587336866 KUBROTFBGOQCNR-DHLKQENFSA-N 417.436 4.541 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353441 ZHNWPLOLWTXXIV-UKILVPOCSA-N 420.436 4.739 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cccc(C(=O)O)c3)cc1)O2 587400477 PUWYZWDKTLHNPM-QFIPXVFZSA-N 403.434 4.561 0 1 HJAF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2sc3ccccc3n12 587414366 MACHKWHHZFEZBR-SFHVURJKSA-N 406.463 4.538 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)cccc21 587482945 PGEMYHQHIVOQTC-VWLOTQADSA-N 400.430 4.504 0 1 HJAF COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510510 LABQHVWSCYUKPW-FYSMJZIKSA-N 417.546 4.609 0 1 HJAF CCOC(=O)[C@@]1(C[C@@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587536863 XOPQPYLMEPIWAE-OZXSUGGESA-N 420.505 4.537 0 1 HJAF CCC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587582018 YINUCMYXJKURIH-XUZZJYLKSA-N 403.434 4.618 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2N)N1 587678595 OQRXQOVXPRGFGE-ZKANADHPSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3ccccn23)N1 587705744 OIEBNPONPSMJGS-MLCYQJTMSA-N 408.702 4.687 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCCCC2=O)(C(F)(F)F)N1 587708241 ABNRZJUVWAZBQM-SEFYAATASA-N 408.233 4.639 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711527 KWUNYWXGMSSHAI-BCTVWOGZSA-N 404.201 4.936 0 1 HJAF Cc1nccn1-c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753084 HOYKPKPSEACVKV-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587755410 PGLSMZDRVJJONO-ZUOKHONESA-N 400.295 4.706 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833825 IHPDWGPRGQPSLR-ZSEKCTLFSA-N 420.322 4.937 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC)c(OC)c1 587864839 QZBYBIZWVJOITP-UHFFFAOYSA-N 420.387 4.673 0 1 HJAF CC(C)c1csc2ncnc(N3[C@H]4CC[C@H]3CC(COCCN3CCCC3)C4)c12 653765567 YIGIMRNGKQUSID-OALUTQOASA-N 414.619 4.675 0 1 HJAF CCC[C@@]1(CCC(=O)OCC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641645 OOJXRBWKASIROP-ZEQKJWHPSA-N 406.570 4.772 0 1 HJAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccc(F)nc4)cnc3[nH]2)c1)N1CCCC1 1857583249 CJNOVCZCVMIOOD-UHFFFAOYSA-N 420.423 4.593 0 1 HJAF COc1cc(NC(=O)c2ccc(-c3cccnc3)c3ccoc23)cc(OC)c1OC 61902996 HNSNHWNHDZXCSW-UHFFFAOYSA-N 404.422 4.773 0 3 HJAF CCCCNC(=O)c1nc(-c2cccnc2)oc1-c1ccc(OC(F)(F)F)cc1 95602336 YECBSWWWDBQKDK-UHFFFAOYSA-N 405.376 4.832 0 3 HJAF CCCC(=O)OC1=C(c2ccc(OC)cc2)[S@@](=O)c2ccccc2-n2cccc21 13739872 ADYCPDYHHDSCBS-GDLZYMKVSA-N 407.491 4.776 0 1 HJAF COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(C)c1 25980565 AEWCEXJRJLVILL-UHFFFAOYSA-N 408.535 4.711 0 1 HJAF Cn1c2c(c3ccccc31)C(=O)[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2 27741207 QVVCROYVEPNUOF-LJQANCHMSA-N 418.512 4.657 0 1 HJAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](Cc3cccc(C(N)=O)c3)C[C@@H]12 29131758 XHFVFIRPVBLTIQ-HETHRKJOSA-N 417.549 4.688 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801181 XZGUOAXOYPYCGD-UYFDGOLVSA-N 400.607 4.645 0 1 HJAF COc1ccccc1CNc1nc(N2CCCCCC2)nc2cc(OC)c(OC)cc12 82126778 VXQNUUBUFGNTEG-UHFFFAOYSA-N 422.529 4.648 0 1 HJAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NOC3(CCCCC3)C2)cc1 103209074 YGGKDKGWROEHKJ-UHFFFAOYSA-N 413.424 4.754 0 1 HJAF Fc1cnc(O[C@H]2C[C@H](Nc3nc4c(F)cccc4s3)C2)c(C2CCOCC2)c1 146956936 MYZANFCECGBUEJ-GASCZTMLSA-N 417.481 4.885 0 1 HJAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC[C@H]3CC3(F)F)c12 169708387 CPJIRVFQLCYFMG-SECBINFHSA-N 409.389 4.615 0 1 HJAF COc1ccc2c(c1[C@H]1CCCC(=O)N1Cc1csc(-c3ccccc3)n1)OCO2 223037825 JCLMFWJPHWKWTL-QGZVFWFLSA-N 422.506 4.801 0 1 HJAF COc1cccc2cc(-c3csc(NC(=S)Nc4ccccc4)n3)c(=O)oc12 261155323 PUSNCNLNYMVZAN-UHFFFAOYSA-N 409.492 4.734 0 1 HJAF Oc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc2c1CCCC2 586898085 LEHIAUFHBJTYLB-UHFFFAOYSA-N 423.108 4.734 0 1 HJAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586914892 ZGHNKWXSIPJTPO-XLIONFOSSA-N 404.470 4.961 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)c(F)c3[nH]2)cc1 586970248 JOHAYHNDJATCLT-UHFFFAOYSA-N 422.323 4.687 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(OC)c3[nH]2)c1 587048114 DOVHPYFHXUZBHH-UHFFFAOYSA-N 414.893 4.535 0 1 HJAF Cc1c(-c2nc3cc(Br)cc(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073332 GGZZFUIBFAYDLZ-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF CCOc1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)ccc1OC(F)F 587130736 PINLSNTZLPODTP-GQCTYLIASA-N 410.218 4.891 0 1 HJAF CCC[C@]1([C@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349895 QPYNOWFKNOBXGB-ODMCQALKSA-N 400.446 4.628 0 1 HJAF Cn1ccnc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372311 FIHCVDLCJYXECM-REWPJTCUSA-N 420.465 4.629 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4cccc(OC)c41)[C@@H](C2)C3=O 587453608 PHKFJACZTSGBOK-QYBDOPJKSA-N 412.441 4.780 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C(c4ccccc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454364 SXHPMTDMIITNAM-FNZWTVRRSA-N 412.441 4.867 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(C(F)(F)F)ccc3n1C)CC2=O 587464461 QTRARYCZXOFLRC-GOSISDBHSA-N 404.388 4.957 0 1 HJAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587630525 JTYLKNYZOAZQOD-UHFFFAOYSA-N 404.829 4.601 0 1 HJAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl 587691256 DOOOARZPVVKTNW-NIVTXAMTSA-N 413.718 4.630 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699964 TWVZUEJZDALFQB-ABKXIKBNSA-N 400.723 4.780 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1 587711541 HJHZIIPJUDRECP-XXFAHNHDSA-N 403.217 4.800 0 1 HJAF C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 587809357 RENPNMGAEGJTAQ-WGTJBVQJSA-N 424.354 4.873 0 1 HJAF C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587839686 UKHJFJLDKNBAPW-JGRMJRGVSA-N 422.294 4.534 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nn1C(F)F 587855151 KBPWPKWKKWYXFV-UHFFFAOYSA-N 415.227 4.844 0 1 HJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587952416 QKTGVRTWFUPCOP-YRNRMSPPSA-N 407.580 4.640 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1cc(Br)c(Cl)o1)N(C)[C@H](C)C2 962628767 QEODVLZXZSJEBC-JDNHERCYSA-N 400.700 4.679 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]2(CCCC(=O)O)c1ccc(SC)cc1 963259512 SAKLHOCLEABMPU-OAQYLSRUSA-N 405.947 4.715 0 1 HJAF COc1c2occc2c(OC)c2c(=O)c(C3=C[C@@H](c4ccc(F)cc4)NO3)c(C)oc12 1772631615 AJIGCFPKVZIIGA-HNNXBMFYSA-N 423.396 4.621 0 1 HJAF C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H](C)N1C(=O)Nc1ccc(Cl)cc1 1857614680 GILHKVVZBHYOOG-HUUCEWRRSA-N 411.889 4.853 0 1 HJAF Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncnc(N3CCc4ccccc4C3)c12 2931560 WADORZBBAWDWIC-HNNXBMFYSA-N 406.555 4.577 0 3 HJAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4051523 WRPNCWWPTPXIGW-DQLWACAZSA-N 418.468 4.804 0 1 HJAF O=S(=O)(Nc1nccs1)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 6498151 KHZNXGUTNUHGAC-UHFFFAOYSA-N 416.915 4.889 0 1 HJAF Clc1ncnc2c1C(c1ccc(Br)cc1)c1c(Cl)ncnc1O2 10014024 ADYBAWDTZQEPLW-UHFFFAOYSA-N 410.058 4.622 0 1 HJAF Fc1cc(F)cc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)c1 13582662 XCJVRZAQFJYFSZ-UHFFFAOYSA-N 400.392 4.875 0 1 HJAF O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 40972763 SMBZAHVWKGZUJJ-UHFFFAOYSA-N 423.856 4.689 0 1 HJAF CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 43193781 MCWJCIUAPMNQAZ-UHFFFAOYSA-N 410.454 4.635 0 1 HJAF NC[C@@H]1CCCN1Cc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 45303045 NOUUMJLZNYAABL-QFIPXVFZSA-N 400.501 4.959 0 1 HJAF CCC[C@@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NCc2ccc(C)cc2)n1 45323420 RCPKRWYLVQGEIF-NQIIRXRSSA-N 411.594 4.837 0 1 HJAF Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1 72107709 LEJNMWZPQMLOST-UHFFFAOYSA-N 423.502 4.918 0 1 HJAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCc2ccccc2)c1 82146585 MFUMPFYVFKSRDL-WOJBJXKFSA-N 414.553 4.864 0 1 HJAF COc1ccc2cc3[n+](cc2c1OCc1ccccc1)CCc1cc2c(cc1-3)OCO2 114827701 GHGNTVMFYBGHCD-UHFFFAOYSA-N 412.465 4.667 0 1 HJAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 147041489 INTRMZVYAODVMS-MDKPJZGXSA-N 402.535 4.747 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1 167594059 IPMCRSFCBZAIFI-PBHICJAKSA-N 423.431 4.755 0 1 HJAF CCCOc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br 586925617 HXDYFAGKWBXUNC-NTMALXAHSA-N 421.316 4.559 0 1 HJAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C 586933839 YNTHEFWNIQLJDI-ZDUSSCGKSA-N 411.877 4.652 0 1 HJAF COc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1OC 586958576 GRQIAENZXFXQJU-GDLZYMKVSA-N 406.507 4.618 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3nc(C)ccc3c2[nH]1 586985268 TTYIJJDVPGXXGS-IBGZPJMESA-N 423.314 4.602 0 1 HJAF Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cs2)o1 587017142 SHTQEIPYYYFQTR-UHFFFAOYSA-N 413.402 4.548 0 1 HJAF Clc1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587042648 VCSIAENDZXLDBZ-CABCVRRESA-N 408.752 4.925 0 1 HJAF CCOC(=O)CC[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096294 BZCAKLPSSSVJBL-MRXNPFEDSA-N 401.462 4.771 0 1 HJAF C[C@H](c1nc2cc(I)cnc2[nH]1)c1ccccc1C(F)(F)F 587098220 OORSFWOKDIHAPA-QMMMGPOBSA-N 417.172 4.733 0 1 HJAF Nc1ccc(-c2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)cc1N 587127553 WZXWJOYTNCDYSU-UHFFFAOYSA-N 424.386 4.836 0 1 HJAF Fc1c(F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c(F)c1S 587133774 CEVAPUPKLLKWMI-UHFFFAOYSA-N 412.593 4.886 0 1 HJAF COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)[C@@H](C2)C3=O 587426752 PPBITYVQEUKVPW-NPMXOYFQSA-N 415.436 4.535 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C)Cc1cccc(Cl)c1)CC2=O 587461668 LORTVVRGUBPKPH-HSZRJFAPSA-N 415.917 4.771 0 1 HJAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)CC2=O 587465265 GFHZSCUNMLEPPG-OTOIZHKDSA-N 417.452 4.882 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COC(F)(F)F)c1ccccc1 587554766 JFZFFZSTWRWRQU-GHTZIAJQSA-N 416.351 4.786 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1OC(F)(F)F 587557105 QDFCCOKMVKEUGU-FXAWDEMLSA-N 418.323 4.699 0 1 HJAF COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577592 OCKXJICFUMQBDQ-RCZVLFRGSA-N 413.429 4.894 0 1 HJAF Cc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587582888 OWERPKRGCWTEOL-JOCHJYFZSA-N 401.462 4.701 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586865 KTAANORFDFXVMZ-QPPBQGQZSA-N 410.429 4.861 0 1 HJAF 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C[C@H](OCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C 38791869 LEPQAQLZNZOPNI-XAIYVRTCSA-N 406.607 4.527 0 1 HJAF CCC[C@H](Nc1cc(-c2ccc(NC(=O)NCC)c(OC)c2)ncn1)c1cccnc1 43063266 QAOYBJBUNYNPPI-SFHVURJKSA-N 420.517 4.642 0 1 HJAF CN(Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1 73197298 OOKVRGNCLFDODQ-RPWUZVMVSA-N 424.589 4.560 0 1 HJAF COc1cc(OC)cc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)c1 82067629 MAOCGTWTXLJJOE-UHFFFAOYSA-N 405.376 4.917 0 1 HJAF O=C1C[C@@H](c2ccccc2)Oc2cc(OCc3cn(Cc4ccccc4)nn3)ccc21 84688416 IYXZYVAQUXISEQ-DEOSSOPVSA-N 411.461 4.612 0 1 HJAF COc1ccc(N2CN(c3nc4ccc(F)cc4s3)C(=O)c3cccnc32)cc1 103238102 LBRWAANJSDFIGO-UHFFFAOYSA-N 406.442 4.595 0 1 HJAF COc1ccc(CC[C@H](C)[C@H](C)[C@H](O)Cc2ccc(OC)c(OC)c2)cc1OC 238775991 MXBCUUKBWQLFOZ-ABSDTBQOSA-N 402.531 4.529 0 1 HJAF O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 261168669 SMFOKUWSWBHMFT-JNSHFYNHSA-N 404.392 4.540 0 1 HJAF 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VLAFNPZTOBKJJT-PGRDOPGGSA-N 412.825 4.853 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)no1 587586302 KHNXDDCZLRPYAY-URXFXBBRSA-N 415.401 4.662 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(O)cc12 587610857 RPOGRKSKPNKVPF-JYFHCDHNSA-N 408.409 4.984 0 1 HJAF CC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587695517 KCWHBYCTUNULSU-WYRIXSBYSA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(F)(F)F)(c2ccccc2)N1 587716766 DURLJQLQGKRHRX-PIGZYNQJSA-N 418.228 4.902 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(F)cc2)N1 587733307 LGGAOKXUVDGALG-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF COc1ccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587812351 ZPXFANNIDFASGN-MPBGBICISA-N 406.295 4.619 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)nn2C)N1 587850712 DYOPKYMGALYHNB-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 587872704 SAEREGACCGECBL-UHFFFAOYSA-N 404.445 4.783 0 1 HJAF COc1ccc(-c2ccncc2)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962617937 CLOIGRAPEZEBNR-VOIUYBSRSA-N 404.510 4.740 0 1 HJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(c1ccc(Cl)cc1)c1ncc[nH]1 962719560 VXQNCXGJNRPPIQ-VGSWGCGISA-N 413.949 4.858 0 1 HJAF CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)NCCCN)c2)cc(C(C)(C)C)c1 1772580594 QQVGQRJKZJVIOL-UHFFFAOYSA-N 409.574 4.613 0 1 HJAF C[C@@H]1CC[C@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC(=O)[C@]34C)O2)OC1 2356566101 WCISCSNGCNVQFW-RJOXBTERSA-N 416.602 4.727 0 1 HJAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 769055 FNEKBQHKTRYXRI-FYYLOGMGSA-N 420.896 4.757 0 1 HJAF C[C@@H]1[C@@H](NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)CCC[C@H]1C 3035100 BYOGAURDVSULBX-KEYYUXOJSA-N 416.447 4.970 0 1 HJAF O=C([C@H]1CS[C@@H](c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 26163667 CGDAQHGJRXOMFU-GGAORHGYSA-N 415.518 4.659 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(F)c1 26965252 POHRSBLYZIRFBO-YOGQACPKSA-N 410.533 4.678 0 1 HJAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)sc3nc(C(F)(F)F)nn23)cc1 27714495 YDDRNICHOGPHSJ-UHFFFAOYSA-N 423.441 4.547 0 1 HJAF CCOC(=O)CCCc1c(C)n(C(=O)c2ccc(N(C)C)cc2)c2ccc(OC)cc12 28124391 QTLLXQOKPOGUBB-UHFFFAOYSA-N 422.525 4.599 0 1 HJAF Cc1cc(C(F)(F)F)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 28647312 RCRBVTFUVCYAKZ-CYBMUJFWSA-N 408.232 4.889 0 1 HJAF C[C@@]1(C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 28826123 BGJFZAXJWZHLTP-XZOQPEGZSA-N 415.455 4.979 0 1 HJAF CC[C@@H]1CCC[C@H](C2(Cc3ncco3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 29038577 YCOGAHGFEYEAQE-SJLPKXTDSA-N 408.951 4.673 0 1 HJAF CCCN(CCC)C(=O)Cc1c(-c2nccs2)nc2c(Cl)cc(Cl)cn12 35259855 JOAXNBLXRXDWBN-UHFFFAOYSA-N 411.358 4.956 0 1 HJAF O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Br 43202836 YVNWJVBYLAVLEP-UHFFFAOYSA-N 403.198 4.795 0 1 HJAF O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCN(c2ccnc3ccccc23)C1 45201085 NBPDGXFMISUSSA-OAHLLOKOSA-N 416.403 4.534 0 1 HJAF O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cs2)C1 73280158 JDZHYDQGMHKABI-UHFFFAOYSA-N 417.490 4.649 0 1 HJAF CCCN(CC1CC1)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 82066395 WWGTXNVMUOMTMJ-UHFFFAOYSA-N 409.490 4.504 0 1 HJAF Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 84689251 IXUDEFMPPSTAGQ-UHFFFAOYSA-N 412.493 4.930 0 1 HJAF Cn1c(SCc2ccc(Br)cc2)nc2c3ccccc3nc-2c1O 100705402 SCZALBUMXXVDDM-UHFFFAOYSA-N 400.301 4.834 0 1 HJAF Cc1ccccc1C1(SC[C@H](N)C(=O)O)c2ccccc2CCc2ccccc21 205972749 VBTPZIVDBUQRSJ-QHCPKHFHSA-N 403.547 4.531 0 1 HJAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)cc3[nH]2)C[C@@H](C)O1 586969288 VNQOWWDEFUTZMM-OKILXGFUSA-N 423.517 4.551 0 1 HJAF FC(F)(F)c1cccnc1-c1nc2c(Br)cnc(Br)c2[nH]1 587108717 QBAICNGKYSBFOQ-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF Ic1cnc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cn12 587188433 SUFSKFDATZONOZ-UHFFFAOYSA-N 410.218 4.635 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238881 HCSSNJWZBIVLKF-QSZISKGPSA-N 405.926 4.771 0 1 HJAF C[C@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343441 BZKSIZCLJMHXHL-LADGPHEKSA-N 400.409 4.749 0 1 HJAF CCN(CC)c1cccc(Br)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377530 NDPNLBAFFPMHEH-GOSISDBHSA-N 403.320 4.892 0 1 HJAF Cc1c(Br)cncc1CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500474 XBCLLOVDRUUPJU-INIZCTEOSA-N 400.316 4.998 0 1 HJAF O=C1C[C@H]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514737 OONNAVWGMUXQRM-GBXCKJPGSA-N 419.521 4.948 0 1 HJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587568609 HTFOLHKDIUIBHW-RDPSFJRHSA-N 406.409 4.950 0 1 HJAF CCOc1ccc(-c2nn(-c3ccc(Cl)nc3)c(=O)c3ccccc23)cc1OCC 587668231 GEXSMYRZEOQYER-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C 587758505 QFWVFDVANVUDCT-XUSGNXJCSA-N 414.322 4.921 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1 587763725 LQXUJMCWQSCNSA-CBLJQSSYSA-N 406.343 4.946 0 1 HJAF Cc1nc2ccccc2n(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1=O 653723343 UDAPOIVBDQKQSR-UHFFFAOYSA-N 403.869 4.659 0 1 HJAF CCOC(=O)c1ccc([C@@]2(c3cccc(OC)c3)NCCc3cc(C)c(F)cc32)cc1 962147803 QOJDFTNDFXIIBK-SANMLTNESA-N 419.496 4.757 0 1 HJAF Cc1cc2c(cc1F)[C@](C)(c1cc(Br)ccc1OC(F)F)NCC2 962302197 SSJKVQPYGDSFRG-GOSISDBHSA-N 400.238 4.907 0 1 HJAF Cc1ccc(OCc2ccccc2)c([C@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963018557 DJHKETKDGDSQFQ-CCLHPLFOSA-N 412.533 4.891 0 1 HJAF COC(=O)c1ccccc1-c1ccc([C@H]2NCCc3cnc4c(OC)cccc4c32)o1 963044833 DPGLJLJHLQTOKE-XMMPIXPASA-N 414.461 4.525 0 1 HJAF Cc1ccc(NC(=O)c2cccc(/C=C3\CC(=O)N(c4ccccc4)C3=O)c2)cc1C 1857570914 WCDXWMQTZZODGI-RCCKNPSSSA-N 410.473 4.903 0 1 HJAF COCSc1nc(NCc2ccc(-c3ccccn3)cc2)c2n[nH]c(C(C)C)c2n1 1857580598 RDUUFFOTGCTUOA-UHFFFAOYSA-N 420.542 4.846 0 1 HJAF CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2CNn2cnnc2)cc1 1857596928 PFWDYBKULZAMIR-INIZCTEOSA-N 400.910 4.647 0 1 HJAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4cccnc4)nn3)cc2)n1 1857749411 UGDSOFWDORMMNX-UHFFFAOYSA-N 424.308 4.553 0 1 HJAF COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CN[C@@H](C)C2 1857753406 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CCOc1ccccc1[C@@](N)(c1nc2cccc(C(F)(F)F)c2[nH]1)C(F)(F)F 587091120 BNHMDSMZVQDJLE-MRXNPFEDSA-N 403.326 4.745 0 1 HJAF Fc1cccc(-c2nc3ccc(I)cc3[nH]2)c1C(F)(F)F 587096865 CMXFSNZZUPYANO-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF FC(F)(F)c1nc2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2[nH]1 587120843 XIWHIWUTCPJDJZ-UHFFFAOYSA-N 416.588 4.936 0 1 HJAF C[C@H](CSc1ccc(F)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587170136 JLEWKGPRNFROJO-CYBMUJFWSA-N 409.490 4.657 0 1 HJAF CC[C@@H](c1nc2cc3ccccc3cc2[nH]1)n1cc(I)c(C)n1 587184073 CQMXLKDCYARJHS-KRWDZBQOSA-N 416.266 4.825 0 1 HJAF CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C1 587350186 RHOGJRIXYPUKMQ-VOAFSABMSA-N 412.457 4.628 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)c(C)c1)CC2=O 587466110 JWSBPTRZDKPDIW-QHCPKHFHSA-N 400.446 4.606 0 1 HJAF Cc1ccc(OCC(=O)O)c2c1[C@@H](C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587524473 RJJSPRAIGGIVJP-ODCWNRFASA-N 406.478 4.705 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1 587575207 DPCIAZNJMSUFEP-DHLKQENFSA-N 412.445 4.898 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccn1 587590517 YTKSCMYMAAURTK-BVAGGSTKSA-N 409.441 4.887 0 1 HJAF Cc1cc(C)c2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)coc2c1 587606501 DIBZQKRVMYQHIT-SQJMNOBHSA-N 414.413 4.818 0 1 HJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@](O)(c1ccccc1)C(F)(F)F 587621996 SWXQBHPLGSCDBT-KRWDZBQOSA-N 424.220 4.913 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587734024 MLYPKISJUYJHNL-GIPWTMENSA-N 418.285 4.845 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795734 JDGULEQPEQQGHY-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587796602 QFRVFJWSTUJSNR-WIUDPPPLSA-N 417.322 4.616 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)s2)N1 587853315 MRTMMOUCYLDLND-DIFFPNOSSA-N 410.356 4.659 0 1 HJAF O=C(O)c1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O 587938426 VZRWIEGYOBJMPP-UHFFFAOYSA-N 401.418 4.833 0 1 HJAF O=C(N[C@H]1C=C[C@]2(C1)NCCc1cc(-c3ccccc3)ccc12)OCc1ccccc1 962671447 SGQPYZOVHFGNNG-RPLLCQBOSA-N 410.517 4.950 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(CCC(C(=O)OC)(c3ccccc3)CC2)N1 962961661 XVUIVHVSCXIVIK-RAYWSRASSA-N 402.538 4.973 0 1 HJAF COc1ccc([C@]2(c3ccccc3F)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636109 PAGWSKUDALFAKB-PUAOIOHZSA-N 407.485 4.678 0 1 HJAF CC(C)c1nc2cc(C(=O)O)ccc2n1CC1CCN(C(=O)c2ccc(F)cc2)CC1 1857540456 MPAVDVYRCCPATI-UHFFFAOYSA-N 423.488 4.549 0 1 HJAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(-c3ccccc3)n2)c1 1857582166 VCHHUEDFQRLWNW-UHFFFAOYSA-N 417.490 4.919 0 1 HJAF C[C@@H]1CC[C@@H]([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 1857623724 IRRHFODGOMSPEE-LZQZKFTPSA-N 415.662 4.921 0 1 HJAF CN(Cc1cccnc1)C(=S)SCc1ccc(C(=O)Nc2ccccc2N)cc1 1857653752 GBTCFTVSVPEWNJ-UHFFFAOYSA-N 422.579 4.566 0 1 HJAF CN(Cc1ccncc1)C(=S)SCc1ccc(C(=O)Nc2ccccc2N)cc1 1857774676 BWYNKDSXYNXOII-UHFFFAOYSA-N 422.579 4.566 0 1 HJAF CC=CC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@@H](O)[C@@H](O)C=C(C)C=CC=CC(=O)N1 2356393263 FFBLFSFSCNGUGS-CYXNTTPDSA-N 421.581 4.793 0 1 HJAF CC(=O)OCC=C(C)CCC1=C(C)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C 2356768441 POJOUPPDRISOJM-GRSYGWAWSA-N 406.563 4.731 0 1 HJAF N[C@H](COCc1ccccc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61927813 BECHOJXKJILSDW-GOSISDBHSA-N 419.510 4.686 0 3 HJAF O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc(C(F)(F)F)c1 199359127 KSBARCPBLFVLTG-SFHVURJKSA-N 424.850 4.670 0 3 HJAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCC2)c(OC)c1 776508 PZOYVZDSRGYTHR-UHFFFAOYSA-N 410.445 4.837 0 1 HJAF O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1 1546699 FHBMSKSIPMUQOG-UHFFFAOYSA-N 421.972 4.825 0 1 HJAF COc1ccc(OC(F)(F)F)cc1C1=C[C@@]2(CCCN[C@H]2c2ccccc2)OC1 13818504 ZACQZIWOFJIWSX-LEWJYISDSA-N 405.416 4.871 0 1 HJAF C[C@H](/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)n1oc(=O)nc1O 27098308 FEJTURCNLAKTTK-QAVQXKDTSA-N 407.253 4.702 0 1 HJAF Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1 28817221 ZUCAHKWKUIULAI-UHFFFAOYSA-N 400.566 4.835 0 1 HJAF COc1cc(OC)c(/N=C(\O)Cc2c(C(=O)O)n(C)c3ccc(C)cc23)cc1Cl 34861021 HKHMAJOEAJUMRV-UHFFFAOYSA-N 416.861 4.686 0 1 HJAF Cc1cc(=O)c(O)c(C(=O)NCc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)o1 38209841 HDDDAEIHJFNBGK-UHFFFAOYSA-N 411.457 4.918 0 1 HJAF C[C@@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1cccc(Br)c1 40556672 XFJMSARGHZITIG-LLVKDONJSA-N 424.327 4.862 0 1 HJAF COCCCn1c(C(C)C)nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc21 40913667 HRPLGWYBAIJFII-UHFFFAOYSA-N 405.502 4.892 0 1 HJAF CCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 43074414 UJJAAJMQANNJBW-UHFFFAOYSA-N 413.949 4.677 0 1 HJAF COC(=O)n1c([C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)nc2ccccc21 49112745 IFLNBOXJWJFGFW-HDJSHQJTSA-N 424.456 4.726 0 1 HJAF CCOc1cccc(-c2nc(CN(Cc3cccnc3)Cc3cccnc3)co2)c1 72103246 SZQQQPOLEDSYTK-UHFFFAOYSA-N 400.482 4.733 0 1 HJAF CCN1CCC[C@@H]1CNCCCn1ccc2cc(NC(=N)c3cccs3)ccc21 72106010 UTRDZKUYPFOJKH-HXUWFJFHSA-N 409.603 4.604 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 73223217 AHXXBKJYVHGSMP-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF COc1ccc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2)cc1OC 84604726 BKSVQXNMVYSZEC-VEYZUFFBSA-N 422.569 4.734 0 1 HJAF Clc1ccc(-c2ccc3c(c2)C[C@@H](NCc2ccc(-n4cncn4)cc2)C3)cc1 84690915 YLPJSFWHIZXTEJ-QHCPKHFHSA-N 400.913 4.845 0 1 HJAF Cc1ccc(-c2nc3cc4c5c(cccc5c3s2)C(=O)N(CCN(C)C)C4=O)cc1 95592592 YENQQTGDEAKAQA-UHFFFAOYSA-N 415.518 4.583 0 1 HJAF COc1ccc2c(=O)c(-c3ccc(F)cc3)c(-c3ccccc3)oc2c1CC(=O)O 103263494 FPNMQPZPNDZAGY-UHFFFAOYSA-N 404.393 4.902 0 1 HJAF C[C@H]1OC(=O)[C@H]2[C@@H]1[C@@H](O)C[C@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C 140472628 BOVSVCDCMFPWKD-XASPFTJESA-N 418.618 4.565 0 1 HJAF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2ccc(F)cc2)c2ncccc2c1 169327373 XNRVKWBQYRFTEK-KQPPXVQYSA-N 407.489 4.793 0 1 HJAF CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1 169692861 LSDICXYPPJEUGV-IPKQKSCFSA-N 400.515 4.991 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccccc5)c5c4[C@@]3(C)CCC5=O)[C@H]1CCC2=O 253638814 BXNNFPHCTNPRQD-GRKQCONJSA-N 402.538 4.733 0 1 HJAF CCc1ccc2nc(CC/C(C)=C/Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2c1 586915672 PWBQXVIGWVMNCD-MKMNVTDBSA-N 420.509 4.940 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2 587032298 SKWJOFGPIJTDSH-XVBMGZJVSA-N 410.528 4.566 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587113635 QZGIORDTZRMHTE-HXUWFJFHSA-N 404.436 4.674 0 1 HJAF CC(=O)c1cc(N)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587332360 GEMHRZRDJINJQF-ISKFKSNPSA-N 405.425 4.590 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587342774 HGCPNURTIMFKEX-NOZRDPDXSA-N 403.453 4.535 0 1 HJAF CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc1C 587347376 BCJNWQBKJMBMEP-QPPBQGQZSA-N 424.424 4.884 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1cccnc1)[C@@H](C2)C3=O 587417939 FUTXHNGKFRNNKZ-FDDCHVKYSA-N 407.853 4.811 0 1 HJAF O=C1C[C@@H](c2ccccc2OCC(=O)N2CCCCC2)Oc2c1ccc1c2CCCC1 587512952 GXRMXWMXPLBYNL-DEOSSOPVSA-N 419.521 4.663 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 587514269 IBYBCGDKFRAYGD-AURKMBPUSA-N 411.457 4.960 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1Cl 587541904 GSTYFELJRIBOPI-DYESRHJHSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(CC(F)(F)F)s1 587546841 KDQMNZGRLUDFPS-QAPCUYQASA-N 407.369 4.656 0 1 HJAF O=C(O)c1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1Cl 587653815 LSQRHSNLYYLNDN-UHFFFAOYSA-N 412.779 4.683 0 1 HJAF O=C(c1cccc2ncccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655948 JAPXHBWDCLQWHP-UHFFFAOYSA-N 413.383 4.578 0 1 HJAF Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587658118 GTSXCCNZZNNTGM-MRXNPFEDSA-N 402.425 4.619 0 1 HJAF Cc1cc(Cl)c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587704937 LJRMHHOZLLOWOV-BTDLBPIBSA-N 408.702 4.821 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2N2CCCC2)N1 587715308 CEJQWRHDJRBWBN-MPBGBICISA-N 407.302 4.951 0 1 HJAF C[C@@H](C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587726330 IJYLPZPKAJHFPU-XXRNEEKGSA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(F)c2)N1 587727076 ABLWFXDLWHNDRH-NSPYISDASA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2)N1 587735965 SAJPTQMZHBKMMU-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2F)N1 587737851 HSWPXUFRIWKOJI-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742581 SHJVEZIDTPOZIH-BZNIZROVSA-N 415.347 4.809 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2N)N1 587751727 YVSUJOKZTNZMQI-JLCFBVMHSA-N 411.318 4.997 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCCN2)N1 587796648 QVQDNFRHLPSKIW-IQVOZAENSA-N 403.339 4.508 0 1 HJAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1 587930660 OXCVFCPRUGIHBZ-SGTLLEGYSA-N 404.251 4.621 0 1 HJAF COc1ccc2c(c1)[C@]1(CN(C(=O)OC(C)(C)C)CC(C)(C)C1)N(C(C)C)CC2 962091486 OBERAOBAICKQJP-DEOSSOPVSA-N 402.579 4.824 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](CCc1cccc(Br)c1)(C1CC1)NCC2 962919426 OXPMIAURSLZMBS-OAQYLSRUSA-N 402.380 4.690 0 1 HJAF Cc1cccc2c1[C@](C)(c1ccc(O)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862852 IGQGZDDIVSVHSB-KOSHJBKYSA-N 411.498 4.601 0 1 HJAF COc1cc(CNc2nccc3nc(-c4ccccc4Cl)[nH]c23)cc(OC)c1OC 1168669337 FYUQJTUIJYHZIJ-UHFFFAOYSA-N 424.888 4.916 0 1 HJAF c1ccc(CCC2CCN(CCCN[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 1857563677 WLTNUNJSZWIEBW-HHHXNRCGSA-N 405.630 4.585 0 1 HJAF Cc1ccc(-c2cc(S(=O)(=O)NC3CCCC3)nnc2-c2ccc(C)cc2)cc1 1857755258 UVKRGJMFLMVVFS-UHFFFAOYSA-N 407.539 4.648 0 1 HJAF COc1cc([C@@H]2[C@@H](C)[C@@H](C)[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 2356337106 VOWJIFKFNBEVKN-FLDRYPHZSA-N 412.482 4.708 0 1 HJAF COc1cc(CCCN2C(S)=NC[C@@H]2CC2CCCCC2)cc(OC)c1OC 15952554 GNQUKMCFENZVFS-SFHVURJKSA-N 406.592 4.585 0 3 HJAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)on1 61926622 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Cc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 95591230 RNKKNRNIWQWELC-MLGOLLRUSA-N 403.511 4.662 0 1 HJAF COCO[C@H]1C[C@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 101024960 LHSZBYIVFZJSTN-LILXYRQWSA-N 401.934 4.670 0 1 HJAF N=c1c(Cc2ccc(Cl)c(Cl)c2)c[nH]c(=O)n1-c1ccc(Cl)cc1Cl 101041923 GMFRUAYTNQAZCK-UHFFFAOYSA-N 415.107 4.849 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103871917 NNECPDTXWBLIIP-XOBRGWDASA-N 401.528 4.915 0 1 HJAF CCc1c(C)sc2ncnc(N3CCC(COCC[C@@H]4CCCCN4C)CC3)c12 146354115 HXLNLEAXZOBECM-IBGZPJMESA-N 416.635 4.670 0 1 HJAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167599838 ITIAEHHNBTWJML-FQEVSTJZSA-N 421.472 4.554 0 1 HJAF COc1cccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)c1 200261664 UOSBCCJPCITERF-UHFFFAOYSA-N 417.509 4.837 0 1 HJAF CCN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1 205410800 NJDBGUADNKBQTL-XMMPIXPASA-N 412.961 4.539 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@H]1CCCO1 261111505 IDWFBPRPZDTKJU-DZRGJMJISA-N 424.585 4.856 0 1 HJAF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1ccc(CCc2ccc(F)cc2)cc1 299830010 LQGYKHNSMDUBEX-VWLOTQADSA-N 413.496 4.827 0 1 HJAF CN(CCC(=O)NCCCNc1c2c(nc3ccccc13)CCCC2)C1CCCCC1 299830716 PEFVDLQGFKDNNH-UHFFFAOYSA-N 422.617 4.686 0 1 HJAF Cc1c(-c2ccc(OC[C@H]3CO3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990413 DSHIQZJPWSZXGW-KRWDZBQOSA-N 409.441 4.905 0 1 HJAF COC(=O)c1cccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587130572 VYLOKJKDRXKODQ-LURJTMIESA-N 404.751 4.684 0 1 HJAF Cc1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c(C)n1 587131081 WNVNMKXNDRRQTD-UHFFFAOYSA-N 420.423 4.792 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(N)ccc5F)[nH]c4c3)o2)cc1 587140933 JUCQYTNBSLNZMU-UHFFFAOYSA-N 415.428 4.601 0 1 HJAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc3ccccc3cc2[nH]1 587184993 IFKZYNQZKBXNGL-INIZCTEOSA-N 413.262 4.563 0 1 HJAF Cc1c(Br)ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587195294 DBWIVSOSQGXLMS-CYBMUJFWSA-N 424.339 4.550 0 1 HJAF C[C@@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375164 RKENTKHSOIQDSS-XXBNENTESA-N 420.465 4.998 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc4c(-c5ccccc5)nn(C)c4s1)[C@@H](C2)C3=O 587450645 GXLWGEBQYRZSQO-AOMKIAJQSA-N 402.475 4.799 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC 587549001 YPADMDCQIPENLN-GHTZIAJQSA-N 412.825 4.766 0 1 HJAF C[C@H](c1ccccc1)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580694 CXLPLAYHELWDOE-SEIFXHLTSA-N 401.462 4.560 0 1 HJAF C[C@@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619973 WITQTCPBOCKCEQ-OFNKIYASSA-N 403.459 4.965 0 1 HJAF Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587676254 DMDOHNJHBVPMCD-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1 587734401 RFHBGYFGYGCMKP-WVDJIFEKSA-N 420.253 4.631 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)n2)N1 587739746 VSGCRYAGKZOIPO-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587780488 AQJOMTYLBSGWSF-TWGQIWQCSA-N 415.287 4.732 0 1 HJAF COc1ccc2c(c1OC)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587805822 GFRGBGUMLICYBV-GTJPDFRWSA-N 420.322 4.720 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccncc3)s2)N1 587852740 IIGKJFHNGTVQAJ-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF O=S(=O)(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2ccccc2c1 653847683 YRSSLDCWJRHYQM-UHFFFAOYSA-N 419.384 4.709 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCCc3ccccc3C2)N1 962926738 MGUNBHMHNSVBTM-AZGAKELHSA-N 415.489 4.558 0 1 HJAF CCCCC[C@@H]1C[C@]2(C=C(C)[C@@H]1C(=O)OC)N[C@H](C)Cc1c(OC)ccc(OC)c12 963603279 CBWRSHRRQAOBIC-VQMLKYHISA-N 415.574 4.769 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(Br)c(C)c1)C1CC1 963629403 BFHJHJXUSGROFA-PEBXRYMYSA-N 416.359 4.963 0 1 HJAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCCCF)ccc3C2)cc1 1772616290 LIIABQAKLRVBPL-SFHVURJKSA-N 410.533 4.571 0 1 HJAF Cc1nnc2n1-c1ccc(-c3cc[nH]c(=N)c3)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857590604 JHEHEHMVVAHSTL-FQEVSTJZSA-N 416.916 4.803 0 1 HJAF COC1=C(C)[C@]2(OC(=O)C=Cc3ccccc3)C(=O)[C@@H]3C(C)=CO[C@H]3C[C@@]2(C)CC1 2356607054 OHJOLXCVQUXFGH-LSAVBLLPSA-N 408.494 4.594 0 1 HJAF C[C@@H]1CCC[C@H](NC(=O)CCCCCn2c(=S)[nH]c3ccsc3c2=O)[C@@H]1C 4659201 WZFRTLSNQDADBJ-KFWWJZLASA-N 407.605 4.622 0 1 HJAF CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H]2CCC[C@H](C)[C@@H]2C)cc1 6155692 FSCIVJDFOMHHCF-SPEDKVCISA-N 423.557 4.690 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(OCCN)ccc4n3)[C@H]12 28571117 XXRYJSPRAPVYEO-YCLBGMMASA-N 420.553 4.590 0 1 HJAF CCOc1ccc(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C(F)(F)F)cc1 28652241 AMZSIFYUTBMXDS-HNNXBMFYSA-N 423.431 4.687 0 1 HJAF O=C1CS[C@H](c2c(F)cccc2C(F)(F)F)N1c1cc(Br)ccn1 40421310 HPTZTJBMVZCJTQ-CQSZACIVSA-N 421.213 4.781 0 1 HJAF C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 40939392 GEWFNPFCLSCLBQ-HNAYVOBHSA-N 407.341 4.542 0 1 HJAF C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)C1CCCCC1)CC3 66129597 OXWKINZCHUYRCQ-GOSISDBHSA-N 420.553 4.587 0 1 HJAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C1 82139786 UJILXPXLPRYSCN-MSOLQXFVSA-N 410.537 4.924 0 1 HJAF Cc1nn(-c2ccccc2Cl)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565837 FFGLJYWACPCDDF-UHFFFAOYSA-N 406.288 4.794 0 1 HJAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1 103263062 RMLMSXWYFUNBRH-UHFFFAOYSA-N 409.481 4.782 0 1 HJAF COc1ccc(C(=O)[C@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 138547350 QFZSCPSGXHGLGJ-PLMTUMEDSA-N 422.352 4.876 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CNCC5)nc32)CC1 261126894 KIVUTDQWWQUQAK-JCNLHEQBSA-N 413.529 4.515 0 1 HJAF O=C1COc2cc3nc(-c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc2N1 587070437 IWBNEPOZZDWSQY-UHFFFAOYSA-N 405.841 4.793 0 1 HJAF Oc1nc(S)nc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072186 XFZMPQZASIRGCW-TWGQIWQCSA-N 410.886 4.750 0 1 HJAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)cc1O 587345895 ACIYKLNHAVCKGQ-VWNXMTODSA-N 424.424 4.528 0 1 HJAF CCOc1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587375471 CPNUFPOQVRCENP-KRWDZBQOSA-N 420.303 4.844 0 1 HJAF C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394922 KAOHWPDEWJXODS-NBGIEHNGSA-N 404.510 4.519 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 587489141 SDHDCSFTBAHBHV-ANCIUUTRSA-N 403.519 4.857 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1 587581402 LARBXHKMPQPXDS-GQOCTPOGSA-N 404.466 4.721 0 1 HJAF CCc1sc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C 587657618 BBNQMDIMJQSARJ-UHFFFAOYSA-N 410.445 4.963 0 1 HJAF C[C@@H](C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587726331 IJYLPZPKAJHFPU-ZBUHCNDUSA-N 424.285 4.616 0 1 HJAF Cc1nc2ccncc2cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587778646 NVBAGMWCBSUBSH-GIPWTMENSA-N 400.295 4.638 0 1 HJAF O=C(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCc1ccccc1 587782342 SLRCFRWVLBHVBH-UHFFFAOYSA-N 413.193 4.630 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587790630 IVTDHJFGPPQYNC-WVDJIFEKSA-N 423.326 4.508 0 1 HJAF CCOC(=O)C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793431 FBTAVOLYCIAPDH-QKKBWIMNSA-N 420.322 4.514 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccccc2)N1 587826853 JOGXUSPGEVUKFX-RBZFPXEDSA-N 406.295 4.621 0 1 HJAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587835895 RGIXNAYNYPASKM-XXRNEEKGSA-N 406.295 4.771 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2ccccc2)n1 587865868 MQGBKTZJMIKIST-UHFFFAOYSA-N 411.387 4.809 0 1 HJAF COc1cccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587930994 LNSQPBKVGVNLBV-UHFFFAOYSA-N 401.182 4.823 0 1 HJAF COc1cccc([C@@]2(c3ccccc3OC(C)=O)NCCc3cc(C)c(F)cc32)c1 962091897 LQPCKPMZCVYJQG-VWLOTQADSA-N 405.469 4.506 0 1 HJAF C[C@@]1(CCc2ccc(O)cc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959106 RJIHHJHWCSBBLC-NRFANRHFSA-N 405.460 4.910 0 1 HJAF COc1cccc([C@]2(c3ccc(Cl)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963024782 LWHWOHYANRWHNN-CPJLOUKISA-N 418.924 4.694 0 1 HJAF CSc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1 12593437 DLKZYRDBYFWFQG-UHFFFAOYSA-N 410.583 4.688 0 3 HJAF COc1cc2oc(=O)cc(-c3ccc(-c4ccc(O)cc4)cc3)c2c(OC)c1OC 13814285 VBAXIHRHUCYIND-UHFFFAOYSA-N 404.418 4.858 0 3 HJAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3ncccc23)cc1 61902257 HNXKEJLHWJEBPU-VWLOTQADSA-N 401.510 4.776 0 3 HJAF CC(=O)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 3955768 YVHOBYCDKDZTPQ-UHFFFAOYSA-N 422.413 4.949 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)cc1F 4153252 MYDDPBVCDZJNDY-CTNGQTDRSA-N 418.896 4.886 0 1 HJAF COc1cc2[nH]c(-c3ccc(C)c(N4CCCC4)c3)cc(=O)c2cc1-c1cnco1 13487601 SXKYISDDVZZSHB-UHFFFAOYSA-N 401.466 4.767 0 1 HJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\I 13556112 DQQMDOLPKAVVIE-CKMNJZPFSA-N 424.322 4.928 0 1 HJAF CCOc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1 28124323 NNWLSOVCEDUQTQ-JOCHJYFZSA-N 420.889 4.755 0 1 HJAF CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F 28643897 BGCKAXHSJPEVHQ-UHFFFAOYSA-N 412.419 4.777 0 1 HJAF COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5cccnc45)C3)nc2c1 28951158 FWBOSTMPMJAEKL-OALUTQOASA-N 415.541 4.561 0 1 HJAF Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 45339770 IISYFRWMOBWLGT-UHFFFAOYSA-N 414.409 4.682 0 1 HJAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1sccc1C 45385808 PNQTXAOQWQNZGK-FQEVSTJZSA-N 411.523 4.598 0 1 HJAF O=C(c1cccc(F)c1)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1 71296293 FKHKUSXQZQNMPM-UHFFFAOYSA-N 410.880 4.653 0 1 HJAF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3)n2)cc1 82132829 FCHLOUQSJBJJKL-UHFFFAOYSA-N 402.542 4.835 0 1 HJAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)NCC2CC2)c1 82145528 CFCCNONGOLZSIY-UHFFFAOYSA-N 406.917 4.857 0 1 HJAF O=C(NCCCNc1nc(Nc2cccc(F)c2)ncc1C1CC1)c1cccs1 95563996 WUDJRFMUYIPXKI-UHFFFAOYSA-N 411.506 4.530 0 1 HJAF COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1 100101740 OWIYILFUMNWNLN-LGKQTMLJSA-N 414.549 4.619 0 1 HJAF C1=C\C[n+]2ccc(c3ccccc32)NCCCCCNc2cc[n+](c3ccccc23)C/1 103145790 YEHZTOPIJHUADS-NLNXULOQSA-P 410.565 4.832 0 1 HJAF C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(Cl)cc1 114995758 CJYBSPSAYUVDMV-CYBMUJFWSA-N 400.313 4.914 0 1 HJAF COc1cc(F)cc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)c1 143198248 GYDKJXLRYAYBAQ-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF CCN(CC)[C@@H](CO)C[C@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12 169335283 LBDKKUOQSWHHME-QRWLVFNGSA-N 404.963 4.743 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586915450 DFWAWADKWVDCEA-BBATYDOGSA-N 420.694 4.590 0 1 HJAF CSc1sc(-c2nc3ccnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920398 PGXRQVFDVNLHSN-UHFFFAOYSA-N 422.384 4.897 0 1 HJAF CSc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 586946188 OMCIIRWQBRNFKR-UHFFFAOYSA-N 421.594 4.553 0 1 HJAF Cc1ccc(-n2cnnc2SCc2nc3cnc4ccccc4c3[nH]2)cc1Cl 586968156 NZBJSMDXYAOEHE-UHFFFAOYSA-N 406.902 4.946 0 1 HJAF Cc1c(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1C 587075846 NJKQLMYGZWVSKA-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF COc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(Cl)n1 587083846 OPRCOMHXTXVQGU-UHFFFAOYSA-N 422.588 4.948 0 1 HJAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587156298 TUTYCJOEYMMKEA-AWEZNQCLSA-N 407.239 4.781 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 587347635 LVYUSCYFCPVZOI-AZGAKELHSA-N 417.480 4.785 0 1 HJAF CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350983 SSLQWNRBVKOOCQ-NNIZRDCOSA-N 400.446 4.771 0 1 HJAF CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399005 HGKIYVNNYXRISY-RUZDIDTESA-N 417.461 4.793 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1-c1ccccc1)[C@@H](C2)C3=O 587443241 MICHYHBOUIGCEA-UQBPGWFLSA-N 402.446 4.868 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587486145 SRPOAWMJARREFS-DEOSSOPVSA-N 405.450 4.588 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586868 KTAANORFDFXVMZ-ZJSXRUAMSA-N 410.429 4.861 0 1 HJAF CSc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 587615534 YBEXHZCYUJWBCD-OFNKIYASSA-N 422.458 4.588 0 1 HJAF COC(=O)c1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587698826 JVDURHRABXPSDP-HUTHGQBESA-N 412.686 4.652 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C2CCCCC2)N1 587761622 BGRBJSLNRBSTEG-YUNKPMOVSA-N 406.343 4.993 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CC(=O)C1CC1)C1CC1 961747743 HRRNIOPAOKPAGP-RUZDIDTESA-N 410.558 4.812 0 1 HJAF CCOC(=O)CCCCCC[C@@]1(C2CC2)NCCc2cnc3c(OC)cccc3c21 963029536 DHXZNUDDJUCXLL-VWLOTQADSA-N 410.558 4.898 0 1 HJAF CN1CCc2c(Br)cccc2[C@]12CCN(C(=O)OC(C)(C)C)CC2(C)C 963290809 YPUQQSYNUHVEIX-NRFANRHFSA-N 423.395 4.799 0 1 HJAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)CCC3)n(-c2ccc(F)c(F)c2)n1 1911571418 PUSKFLPIBARYBB-UHFFFAOYSA-N 423.507 4.796 0 1 HJAF COc1ccc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc1OCC=C(C)C 2356507428 VPSRGTGHZKLTBU-DRTRNHDVSA-N 424.493 4.844 0 1 HJAF C[C@]12CC[C@@](O)(C(Cl)(Cl)Cl)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 2356670475 PRKJWXBURFOVQU-MRXGKOFTSA-N 421.792 4.879 0 1 HJAF CCC[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712098 CNKLSUYIAYAGDW-QTDGGUCWSA-N 402.966 4.810 0 3 HJAF O=c1c2cc(F)ccc2nc(C[C@@H](O)c2ccccc2F)n1-c1ccccc1Cl 13862778 MIINQRNDYBNHMW-HXUWFJFHSA-N 412.823 4.593 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 26568482 RCXGNJNDQYAWDC-WLNILRROSA-N 422.606 4.890 0 1 HJAF O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCCN(CC2CCCCC2)C1 28231207 DSBULHATUKJWAF-SFHVURJKSA-N 417.644 4.797 0 1 HJAF Cc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@H]2Sc4ncnc(N)c4[C@@H]32)c1 28526349 JEYRDAZJCFJWJF-MSOLQXFVSA-N 403.511 4.564 0 1 HJAF Cc1cc(C)cc(N(Cc2ccc(O)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1 40935219 MOOJZBBQWIKHKT-UHFFFAOYSA-N 403.526 4.922 0 1 HJAF N=C(N)c1cccc(OCc2ccc3cc(COc4cccc(C(=N)N)c4)ccc3c2)c1 43013255 CZKNWSRISHWOHP-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5ccc(O)nn5)c4)c3)nc12 45227151 TVLSUIZJWJGIEK-UHFFFAOYSA-N 421.460 4.953 0 1 HJAF CC[C@H](C)C(=O)c1c(O)cc2oc3c(C(=O)[C@@H](C)CC)c(O)cc(O)c3c2c1O 49088904 FOVPRACMJLBLEN-UWVGGRQHSA-N 400.427 4.866 0 1 HJAF COc1cc(CCc2cc(Br)c(O)c(Br)c2)cc(OC)c1 66066421 AFHAITSHBAXBFS-UHFFFAOYSA-N 416.109 4.720 0 1 HJAF COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CC=CCC3)n2)cc1 82066848 NJVSJNSSBVTTCW-OAQYLSRUSA-N 415.497 4.538 0 1 HJAF Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 84652485 PWXHGWMZTWHEKM-UHFFFAOYSA-N 407.949 4.819 0 1 HJAF O=C1c2ccccc2CCN1CCCCN1CCN(c2cccc3sccc23)CC1 115091485 QZMDTGLDHUBNDE-UHFFFAOYSA-N 419.594 4.502 0 1 HJAF Cc1noc([C@H]2CCN(c3cccnc3Oc3ccc(Nc4ccccn4)cc3)C2)n1 138953568 KPZPDJBOZMYHRI-KRWDZBQOSA-N 414.469 4.698 0 1 HJAF CN1CCC(OCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1 146486054 NHYAEMRTBZIADZ-UHFFFAOYSA-N 422.598 4.686 0 1 HJAF NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1Cl 164981367 ZUDMUERXAGFTKR-UHFFFAOYSA-N 405.306 4.923 0 1 HJAF S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@@H](c2ccc(Cl)cc2)N1 169729947 WTDZWVHMLBZQEY-QWXUZBRKSA-N 402.350 4.667 0 1 HJAF COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)c(C)c1 223835400 GOHNZFHVWZRGGX-UHFFFAOYSA-N 418.371 4.755 0 1 HJAF COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1OC 238761321 RKSBJQZDPAGEQW-WGOZBUGNSA-N 416.470 4.535 0 1 HJAF O[C@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC[C@]1(O)c1ccccc1 253683135 LFNIKHHUYFVLKL-MLVYCOEQSA-N 405.582 4.756 0 1 HJAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1 261192973 ZVEWJHQALVGDDD-QAQDUYKDSA-N 409.921 4.520 0 1 HJAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@H]([C@]3(C)CCCC[C@H]3C(=O)O)CC[C@@]12C 504537179 BWPVHESSENIYDR-AZPKKZRGSA-N 422.562 4.912 0 1 HJAF biogenic O=Cc1ccc(OCc2occc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586901259 RSGIQUWNNHBFQH-UHFFFAOYSA-N 402.385 4.539 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 586950293 FDUAWGHJBDJRNS-UHFFFAOYSA-N 423.338 4.639 0 1 HJAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1)N1CCC1 586955827 NSYAPPMPPDNXSK-UHFFFAOYSA-N 416.717 4.585 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2[nH]1 587052980 WQDAGBUWGLWTQY-UHFFFAOYSA-N 416.872 4.733 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cc(C)c(C)cc3[nH]2)[C@H]1c1ccccc1Cl 587063052 LSQHHFKGLWMPNK-HTAPYJJXSA-N 411.933 4.927 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587147995 XIKWIFPBEMOFGD-UHFFFAOYSA-N 402.385 4.619 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587158660 JAHYQERMJYXHSB-UHFFFAOYSA-N 400.413 4.869 0 1 HJAF COc1cc(N)c(I)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 587178449 CCTVSVQUSLRUGP-UHFFFAOYSA-N 421.282 4.723 0 1 HJAF COC(=O)c1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587379342 XZQKFOPYHYXQBI-DENIHFKCSA-N 412.438 4.654 0 1 HJAF COc1cccc(-c2nc3sccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587413590 HREKBLGPKGUOMM-GOSISDBHSA-N 405.479 4.669 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421580 UQTKOCPRYUKCCX-IXFSTUDKSA-N 414.885 4.581 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424340 NMBRFILXTGNSRK-CYFREDJKSA-N 408.400 4.988 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(Cl)sc1Cl)CC2=O 587490378 GABNLQQSSQLTIP-QGZVFWFLSA-N 401.267 4.658 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568957 GQQFKJANJSXVGT-QPPBQGQZSA-N 416.408 4.728 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587707730 WUOQJQAGYJYTBM-HUTHGQBESA-N 408.702 4.821 0 1 HJAF COCCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587732958 PATZYKADGXATIA-RBZFPXEDSA-N 410.302 4.932 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1 587735764 UYIFLJDKCGPENL-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)n2)N1 587739752 VSGCRYAGKZOIPO-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587758220 CJZJQLVMHQGUJN-LQAWEQHXSA-N 413.331 4.563 0 1 HJAF Cc1nc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2cc1Br 587782973 USBZHEJSNBLLIL-UHFFFAOYSA-N 410.271 4.980 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789159 AGNWWDYUIWEAKN-YBTHPKLGSA-N 416.294 4.611 0 1 HJAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799364 RZCXRHIKZNNEJZ-HKZYLEAXSA-N 420.322 4.565 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1 587835893 RGIXNAYNYPASKM-FKANQGBASA-N 406.295 4.771 0 1 HJAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653797948 VGNKBVUEYVJVLE-MRXNPFEDSA-N 407.432 4.767 0 1 HJAF Oc1cccc2c1CCC[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962392 VGYZGONQCRYFRO-JOCHJYFZSA-N 403.444 4.642 0 1 HJAF O=C(C[C@H]1C(=O)CCC[C@@]12NCCc1ccc(O)cc12)c1ccc(Cl)cc1Cl 963328510 HDKKZLWOZNKFGY-AVRDEDQJSA-N 418.320 4.682 0 1 HJAF O=C(O)c1cn(C2CC2)c2c(F)c(CNc3cccc(Cl)c3)c(F)cc2c1=O 27316607 HOCTVQWLTFHVKV-UHFFFAOYSA-N 404.800 4.578 0 1 HJAF Cc1nc2cc(NC(=S)NC(=O)c3ccccc3)ccc2n1Cc1ccccc1 28651965 YQNLBQLWAYFCHP-UHFFFAOYSA-N 400.507 4.520 0 1 HJAF O=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1Br 29481708 AGNIOTWTCBTBJB-PKNBQFBNSA-N 422.257 4.853 0 1 HJAF CC(C)NC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 40891775 VYYYRAZIDLDZPE-UHFFFAOYSA-N 415.921 4.554 0 1 HJAF CCC[C@H](C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1 45390840 VVLJTJUIMGZRJC-FQEVSTJZSA-N 408.586 4.912 0 1 HJAF COc1cc(Cc2nccc3cc(OC)c(OCCF)cc23)ccc1OCCF 72104831 DBTJQPQQFSQUGY-UHFFFAOYSA-N 403.425 4.539 0 1 HJAF CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)cc3)ccc2C[C@H]1O 72175483 IIVDJXGPBLGBRO-HSZRJFAPSA-N 404.462 4.559 0 1 HJAF C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 73221615 UOVRVGWUOPAARV-KRWDZBQOSA-N 415.375 4.896 0 1 HJAF O=C(Nc1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100094142 FMVQMMLPTBRCPV-NUNAXRQHSA-N 403.913 4.979 0 1 HJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3C)c2ccc(O)cc2)cc1 100999304 IHGJYBHYZNYXJH-DHIUTWEWSA-N 404.554 4.933 0 1 HJAF COc1ccc(OC)c(CNC(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c1 103234416 SYUNIBRMIKSNRJ-UHFFFAOYSA-N 421.537 4.807 0 1 HJAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 169723971 WJKWBWWNWDKSJT-WBVHZDCISA-N 411.420 4.668 0 1 HJAF O=C(Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)c1ccco1 205230031 PQMRVBDJKHPGRM-UHFFFAOYSA-N 409.243 4.981 0 1 HJAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(N5CCCC5)cc4)c3c2s1 207581438 BHBMRGYMSOXGPU-UHFFFAOYSA-N 404.499 4.555 0 1 HJAF Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(C)cc2-c2ccco2)cc1 299828651 SFYHDTHGZMENNV-UHFFFAOYSA-N 400.438 4.791 0 1 HJAF CCc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 586938721 XUHPNYMJCSEINS-SFHVURJKSA-N 417.600 4.515 0 1 HJAF COc1cccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(Cl)c2)c1 587052558 VETLYQPNYFJWPD-UHFFFAOYSA-N 412.898 4.962 0 1 HJAF N[C@@H]1CC[C@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C1 587246793 NRCJSPZYRMUGTN-WDEREUQCSA-N 406.383 4.568 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2-c2cccc(C(=O)O)c21 587380946 YQSOUCRFPSLQQO-QHCPKHFHSA-N 405.837 4.818 0 1 HJAF CCCC(=O)N(c1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1)C1CC1 587413531 PCOYONXHDQVDAU-QFIPXVFZSA-N 413.543 4.518 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc3ncc(Br)cc3o1)CC2=O 587461119 XCIVPLWFEQWROZ-SFHVURJKSA-N 402.244 4.955 0 1 HJAF CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)CC1 587509627 VMOXSIZFVJRDOR-HSZRJFAPSA-N 410.945 4.677 0 1 HJAF CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587548757 XRAYCXPUYFFSGD-UGKGYDQZSA-N 424.836 4.925 0 1 HJAF CC(C)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580613 SUHAVTFULWPGNK-OFVILXPXSA-N 417.461 4.864 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N)N1 587675947 BWJHLRDJHXLTAH-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587694852 MNHZPUHUJZGNRY-XLFHBGCDSA-N 412.686 4.652 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741585 HTRGOBHBEMJDTC-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2Cn2ccnc2)N1 587752080 BMAFUQNNYBEFIH-IIMJZQEZSA-N 406.343 4.795 0 1 HJAF COc1ccc(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cc1O 587785593 CQTAEGGMKOTTOZ-UHFFFAOYSA-N 414.234 4.908 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587845342 DVDUFCCRPZTTMY-MLCYQJTMSA-N 412.324 4.601 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(-c2ccccc2)nc(C)n1 587868422 KWSYTPOZDDFAER-UHFFFAOYSA-N 411.387 4.727 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(Br)cc1 587869374 IHVLWDXVNLKEFF-UHFFFAOYSA-N 403.251 4.733 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1cc(C)ccc1C 587870456 JSMKEEFWXZSSFX-UHFFFAOYSA-N 409.461 4.764 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=O)c5ccccc5)cc4[nH]1)(C3)C2 587950068 JEPHZOAUBUVXTC-LJQDGHHOSA-N 414.505 4.947 0 1 HJAF O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1C1CCCCC1 653795291 RRMGFKCULVJKLM-UHFFFAOYSA-N 408.811 4.672 0 1 HJAF CCOC(OCC)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccn1C 962375373 SKOFMILKVBGTOA-DEOSSOPVSA-N 410.583 4.788 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(C[C@@H](C)CC(=O)O)c1cccc(C)c1C 963058946 RHTAAAPFTGIEFT-YHAMSUFESA-N 418.537 4.750 0 1 HJAF O=C(C[C@@H]1C(=O)CCC[C@@]12NCCc1ccc(O)cc12)c1ccc(Cl)cc1Cl 963328511 HDKKZLWOZNKFGY-GCJKJVERSA-N 418.320 4.682 0 1 HJAF O=C(Nc1ccnc(F)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2c1CCC2 1772570605 WSIFAOHAIQTZED-UHFFFAOYSA-N 405.260 4.513 0 1 HJAF COc1ccc(CO)cc1-c1cc(Cl)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772649113 LIAXUEDJGRBKIN-GOSISDBHSA-N 417.914 4.879 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24C=C[C@]2(C)[C@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356744801 JPZRLAKTKKZBOO-IJHBIDDNSA-N 414.678 4.710 0 1 HJAF CCCCSc1ccc2c(cc1=O)[C@@H](N)CCc1cc(OC)c(OC)c(OC)c1-2 1731702 CWRLHXYQDDSODE-KRWDZBQOSA-N 415.555 4.578 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@@H]1c1cn(C)c2ccccc12 2468650 HBJQZHPATJTLKS-ZEQRLZLVSA-N 415.537 4.538 0 1 HJAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NC3CCC(C)CC3)C2)c(C)o1 5055785 WMCUGUKIIWWZIA-TWMPVWRBSA-N 409.574 4.865 0 1 HJAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cc3ccccc3s2)ccc1=O 25225103 IREFZUGCJPJDOS-WBVHZDCISA-N 416.502 4.583 0 1 HJAF biogenic CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26384346 GLSZMIVCBQXSEA-SHNLOOGUSA-N 402.623 4.725 0 1 HJAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CCC(c2cccc3ccccc23)CC1 26496426 HRZOOXCBXLHFRO-AREMUKBSSA-N 414.549 4.822 0 1 HJAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3c(Cl)cccc3Cl)oc(=O)c12 27520565 FSPQNQOLUFXHQW-FGEFZZPRSA-N 409.294 4.755 0 1 HJAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)NCCc2cccc(F)c2)c1 82146673 KRZOGGXTYRXGKA-UHFFFAOYSA-N 418.516 4.554 0 1 HJAF CO[C@@H]1Cc2cc(-c3cccnc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95557596 CLCKUERXHBVZOY-QFIPXVFZSA-N 406.551 4.847 0 1 HJAF CCc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12 102845627 WLMGMFBJBFOFMQ-UHFFFAOYSA-N 401.857 4.516 0 1 HJAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CO)C[C@@H]21 169320573 LOLVHYOCRQVNRM-HNBVOPMISA-N 417.590 4.808 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4nc(Cl)c[nH]c-4n3)c(=O)oc2c1C 586918291 NXQGAPPEULNVSV-UHFFFAOYSA-N 424.888 4.617 0 1 HJAF COc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1OC 587033381 YXQZWNPTVWKJDH-UHFFFAOYSA-N 404.289 4.807 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587040708 ANPQPCZDCDWSID-KRWDZBQOSA-N 401.919 4.811 0 1 HJAF Brc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12 587042336 SGIGOHLXDFFPJW-UHFFFAOYSA-N 408.346 4.778 0 1 HJAF Cc1ccc2c3c(cc(-c4cc(N5CCOCC5)ccc4N)nc13)-c1ccccc1C2=O 587097270 MTYWXBBKJKQFJK-UHFFFAOYSA-N 421.500 4.840 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cc(Br)cc2[nH]1 587147628 PYWHTSPIYMRAQJ-UHFFFAOYSA-N 407.193 4.810 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384412 CSSISTQCVOMKJS-QFIPXVFZSA-N 405.425 4.876 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cc(C)c(C)cc3C)nc3ncccn13)O2 587393713 KLXGDNPQICPYSQ-NRFANRHFSA-N 412.493 4.919 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@@H](CC)C(=O)OCC)CC2=O 587480577 DSRHHKKTLKENCC-UNMCSNQZSA-N 412.482 4.772 0 1 HJAF C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554577 IUCBFFGSEOWDQH-RXVVDRJESA-N 412.344 4.591 0 1 HJAF COc1c(F)cc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556816 KKYZEARMLAXHIK-AZUAARDMSA-N 412.388 4.642 0 1 HJAF Nc1ccc2c(c1)Oc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582317 ZPFRXVSZNFNNFL-OZXSUGGESA-N 423.424 4.986 0 1 HJAF Nc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587614733 SZOCPKBWFYRDQB-URXFXBBRSA-N 415.470 4.941 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCC(=O)O)c2c1 587650204 ZHQGFPPZUPRDDH-UHFFFAOYSA-N 412.294 4.562 0 1 HJAF O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)n1ncc2ccc(Cl)cc2c1=O 587651675 CHVSBTOZGHWHPG-UHFFFAOYSA-N 408.885 4.799 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12 587743196 CLHDPLXFFTWNGC-YTEVENLXSA-N 409.302 4.977 0 1 HJAF Cc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587765478 CMSNMDZHYURCBK-HNNXBMFYSA-N 403.339 4.927 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1 587770881 RSWJKHZOMAWGOW-QOSXVOFASA-N 407.371 4.887 0 1 HJAF Brc1c[nH]c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2n1 587783385 AGDKLZWSOZDAOF-DHZHZOJOSA-N 407.271 4.816 0 1 HJAF COc1ccc(CCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862653 UMEYNFGFZSSZPZ-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF C[C@]12CCN(C(=O)Cn3cnc4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 653795123 JOPYJOGKZZNQSP-RRPNLBNLSA-N 422.532 4.573 0 1 HJAF Cc1cccc(C)c1[C@@]1(c2ccc(Cl)nc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017595 CYOONZGIRPEATA-NSYGIPOTSA-N 417.940 4.697 0 1 HJAF O=C(O)c1ccoc1COc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963102167 KITRGXXLFVWKHG-JPYJTQIMSA-N 407.441 4.806 0 1 HJAF CC[C@@]12C=C(COC(=S)NC(C)C)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 1911571229 ZGAQWRGIYPJLEP-VWNXMTODSA-N 409.599 4.885 0 1 HJAF COC1=CC2=C([C@H](OC)[C@@H]1c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N(C)[C@@H](C)C2 2356516646 DUKVIMHGBJECIJ-UOIPCRMVSA-N 423.553 4.914 0 1 HJAF 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CC1=C(c2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1 587049493 MBHNLNICRCXWCG-OLZOCXBDSA-N 413.308 4.896 0 1 HJAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587051144 VFLGRKRSKUCGRL-UHFFFAOYSA-N 400.063 4.653 0 1 HJAF COc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 587095510 IEDWWMNBAVVKED-UHFFFAOYSA-N 415.165 4.718 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1C[C@H](O)[C@@H]2O 587215864 ONIPBSCRWIOELZ-MCEJSJLWSA-N 415.577 4.847 0 1 HJAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346587 JSVMMONSJCJDFB-NZHIRUQQSA-N 412.457 4.628 0 1 HJAF CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350956 SQZWQQXKONWLFX-ZCVJKFOLSA-N 412.457 4.772 0 1 HJAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355211 WWWUJYXHKBLBKV-NDHLSRNQSA-N 424.468 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OC(F)(F)F)O2 587384285 ZNMQFLINAOMDHE-OAHLLOKOSA-N 416.193 4.945 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(OC)c(F)c1)CC2=O 587466164 KDBWMDFKWJRGOJ-QHCPKHFHSA-N 416.445 4.608 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1C(F)(F)F 587545683 HDJVTECIKCUDGT-XLIONFOSSA-N 402.324 4.820 0 1 HJAF Cc1cc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1C 587609537 NHOYBHOMLLZEFA-BWKNWUBXSA-N 414.413 4.818 0 1 HJAF COc1c(F)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722916 UKWDXPWLRNOPSZ-DYBLOJMWSA-N 400.238 4.673 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587743813 PUUJPGYAJDVOSB-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccccc2)N1 587825450 DKEXOGLDDPUJCS-XCLFUZPHSA-N 406.295 4.621 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587839257 FFFWORMNEOQICG-GIPWTMENSA-N 404.279 4.758 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C 587869235 DOAHYXQDLYPVMY-YRGRVCCFSA-N 412.481 4.520 0 1 HJAF COc1ccccc1CC(=O)c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587931880 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C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2F)N1 587725377 CWBGTHLZKPEHLI-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587742090 JHIDVCZACDDPDN-LRTDBIEQSA-N 419.338 4.983 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755064 OCRRYDQGRCUDFM-NXXSPTCGSA-N 423.326 4.685 0 1 HJAF COCCCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791901 JMXKFUZRZYGQRV-XCLFUZPHSA-N 408.311 4.627 0 1 HJAF CCCCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867565 KBNADXVSVSJXAF-UHFFFAOYSA-N 419.403 4.840 0 1 HJAF CN(C)[C@@]12C[C@H](c3ccccc3)[C@@H](CN(CCN3CCCC3)C1)[C@H](c1ccccc1)C2 653873520 SYEUKHXFCULUKP-JMJJTJLESA-N 417.641 4.676 0 1 HJAF C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641775 YLSVXPQEEKORRX-SUMWQHHRSA-N 420.214 4.754 0 1 HJAF COC(=O)Cn1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(-c2ccccc2)n1 962665943 LQJCYCMOUMHXAP-HHHXNRCGSA-N 423.516 4.625 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@](Cc3ccccc3Cl)([C@@H]3CCCS3)c3cccc1c32 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4.630 0 1 HJAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 12727074 TZMYJNAWWKRUIX-MRXNPFEDSA-N 416.321 4.534 0 3 HJAF CC(C)C[C@H](CO)Nc1nc(N(C)c2cccc(Cl)c2)c2ncn(C(C)C)c2n1 13682648 UMXPYQWVUYNVLU-MRXNPFEDSA-N 416.957 4.647 0 3 HJAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)C/C=C/c3ccccc3)C2)on1 61898613 FNBREQRQFGXZJM-WUTDNEBXSA-N 415.493 4.736 0 3 HJAF C[C@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc2ccccc2c1 61926150 AXXBXOOGFCCWKB-HSZRJFAPSA-N 423.354 4.883 0 3 HJAF O=C(O)C[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)c1ccccc1 3991703 DTLIDYQJLOBQPK-QFIPXVFZSA-N 416.521 4.862 0 1 HJAF CNc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 13446383 WMLSIRSGFQXLMP-OAQYLSRUSA-N 420.384 4.873 0 1 HJAF O=C(Nc1ccncc1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605261 GZSUOALBVQZWOL-PMERELPUSA-N 413.502 4.626 0 1 HJAF CN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 13782306 KBRZXLFQJAJDSJ-UHFFFAOYSA-N 420.384 4.701 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@@]32C)cc1 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Cc1cccc(-c2[nH]c(CNc3cccc(Cl)c3)nc2-c2ccc3ncnn3c2)n1 113391661 CEXJBZFYQTYDOL-UHFFFAOYSA-N 415.888 4.755 0 1 HJAF CCCc1ccc(-c2noc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 117168372 ZPGOZYNBLVWVNG-UHFFFAOYSA-N 402.494 4.576 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1C 145336849 DASBYWOIZHXMEC-FQEVSTJZSA-N 402.479 4.515 0 1 HJAF CCCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O 169351446 CYOPXIQIQFTMBB-UHFFFAOYSA-N 416.470 4.628 0 1 HJAF Cc1cc(C)c(-c2n[nH]c(Cl)c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 219087612 RQQSIGMKFMBQBI-UHFFFAOYSA-N 404.901 4.767 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4cc5c(cn4)CCNC5)nc32)CC1 261151586 PADUNTTWTYUKQZ-RZDIXWSQSA-N 413.529 4.515 0 1 HJAF Cc1cc(Br)cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586983708 HPPBVJMZCQRVAO-ZDUSSCGKSA-N 409.125 4.639 0 1 HJAF Cc1cccc(C)c1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988770 QEHZFMZVPUFWFT-UHFFFAOYSA-N 408.457 4.950 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ncc(C)cc13)O2 587389006 CVBARGFUBKHPPH-IBGZPJMESA-N 407.470 4.725 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4cc1C(=O)c1ccco1)[C@@H](C2)C3=O 587436148 MNCRITNVQZHKQQ-SSOJOUAXSA-N 411.413 4.556 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c[nH]c3ccc(Cl)cc13)CC2=O 587460081 FWQLQWQQWFFXTM-JOCHJYFZSA-N 413.857 4.513 0 1 HJAF CCOC(=O)c1c(N)sc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535385 KKDDOWIJFPPKKQ-HSZRJFAPSA-N 411.523 4.583 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)cc1 587617568 KIYMWXFAILGFIS-QPPBQGQZSA-N 419.502 4.648 0 1 HJAF Cc1ccc(NCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 587655604 ASRNSABMCIMMJU-UHFFFAOYSA-N 419.431 4.711 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)o2)N1 587679099 FDWHFQVPGSOKGC-VXJOIVPMSA-N 403.089 4.741 0 1 HJAF Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587761729 VEYAQEYSSKRBMY-RNODOKPDSA-N 400.295 4.706 0 1 HJAF COc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2 587830312 DQSGZDBHKYWGRE-ZHYXMNDGSA-N 406.295 4.544 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(C2CC2)N1 587835353 VXQTWEORRAKXRC-XCLFUZPHSA-N 412.343 4.661 0 1 HJAF Cc1cc(C)nc(SC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587847580 UPUCRPYWVFAFKS-KZULUSFZSA-N 410.356 4.537 0 1 HJAF Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587944983 FZFZYWKHJPPROW-UHFFFAOYSA-N 423.275 4.782 0 1 HJAF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)OCCc1ccccc1 653818561 GYBFHDOZJXQFNK-VOTSOKGWSA-N 404.249 4.972 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2nc(-c3ccc(OC)cc3)no2)N1 962963855 XFUBVJUBSBYMND-FYSMJZIKSA-N 402.498 4.609 0 1 HJAF C[C@@]1(C(Cl)(Cl)Cl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963197883 UPDRZEQQWCXPHV-GXSJLCMTSA-N 411.034 4.543 0 1 HJAF O=C(NC1CCCCCC1)c1cc(-c2ccccc2)nn(Cc2ccc(F)cc2)c1=O 1772618699 TUCDYHPRBAOSOY-UHFFFAOYSA-N 419.500 4.550 0 1 HJAF Cc1cccc(-n2nccc2-c2cc(F)c3nnn(-c4ccc5c[nH]nc5c4)c3c2)c1 1857574113 OXPMVNNPKCHSJE-UHFFFAOYSA-N 409.428 4.597 0 1 HJAF COc1ccc(-c2cc3nc[nH]c(=Nc4cc(OC)c(OC)c(OC)c4)c3s2)cc1 1857597124 AJNNTGPEHKSGMZ-UHFFFAOYSA-N 423.494 4.558 0 1 HJAF COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2)cc1 1857620514 HQMNMYXRCMXMRT-RUZDIDTESA-N 412.489 4.973 0 1 HJAF CC(C)C(C/C=C1/C[C@@H]([C@H](CO)OC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 13812918 ZKDHGZDBUDHUJV-OAXJRNJMSA-N 410.595 4.769 0 1 HJAF O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2[C@H]1CN1CCCCC1 13823967 FHVYBRJOURPHKM-JOCHJYFZSA-N 416.487 4.860 0 1 HJAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CC[C@H](C)C3)cc2)c1 27527149 RBEROMJIQJWAOZ-RCDICMHDSA-N 401.890 4.852 0 1 HJAF COc1ccc(C[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768680 FMXKIHKXGRGBQG-RXVVDRJESA-N 419.308 4.710 0 1 HJAF Cn1c(CC(=O)Nc2ccc(Cl)cc2)cs/c1=N\c1ccc(F)c(Cl)c1 29125253 ZNDXKWUWGNLZKA-NKFKGCMQSA-N 410.301 4.946 0 1 HJAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1ccccc1-c1ccccc1 29402156 KZBYVTAYEZNKES-BFKWUEKISA-N 421.537 4.969 0 1 HJAF Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C(F)(F)C(C)C)cn2)n1 35932576 MPJNTMGLPUJHMF-UHFFFAOYSA-N 401.413 4.872 0 1 HJAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@@H](CC(=O)O)CN4)cc3)no2)cc1 35968414 DOAHOEVWZUKZMM-LAUBAEHRSA-N 405.498 4.727 0 1 HJAF CC(C)[C@@H](C(=O)NC(=S)Nc1nc(Cl)cc(Cl)n1)c1ccc(Cl)cc1 40847628 MSTXMICYEIWGFQ-CYBMUJFWSA-N 417.749 4.690 0 1 HJAF Cc1cccc(-n2nccc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1 45284666 LANYDHHNXHMKRT-SFHVURJKSA-N 409.964 4.571 0 1 HJAF COc1cc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)cc(OC)c1OC 72102841 STMYYHJHFIRJEM-UHFFFAOYSA-N 422.403 4.676 0 1 HJAF COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc(C)c2)n1 82147064 QMRFGWGWVVUJCV-UHFFFAOYSA-N 412.578 4.655 0 1 HJAF COc1ccc(Cn2cc(Sc3ccccc3OC)c3c(C)nc(N)nc32)cc1 95587152 DDNOBXCCOQOURR-UHFFFAOYSA-N 406.511 4.539 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175236 APFXRNZDZLAOPU-KDOFPFPSSA-N 408.548 4.575 0 1 HJAF CCN(C)C(=O)c1ccc2c(c1)NC(=O)/C2=C(\NC1CCCCC1)c1ccccc1 101372939 ZBIAZQFNVYYLOE-FCQUAONHSA-N 403.526 4.521 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(CCC(=O)O)(C3)C2 101444602 HHSFEYNQHTXPDX-IATQVPIZSA-N 419.949 4.673 0 1 HJAF Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@@H]3CCCc4cccnc43)c21 200692445 WMXHNYCIMIWIHK-XMMPIXPASA-N 413.569 4.740 0 1 HJAF O=C([C@@H]1CNC[C@@]12CCCc1cc(Cl)ccc12)N1CCC(c2ccccc2)CC1 220949155 OSHAQSKTDYUYLA-UKILVPOCSA-N 408.973 4.540 0 1 HJAF CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@@H]12 254114647 IRGZJOASCLJVTK-OYTPZHDJSA-N 421.537 4.512 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1 586985003 KHHLYAUQNGCEJX-CQSZACIVSA-N 410.674 4.538 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587114130 WHBZTRQLYLSRKW-MRXNPFEDSA-N 417.218 4.683 0 1 HJAF O=C1CCc2cc3nc(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c3cc2N1 587138447 JBKUOQLCOHQWFO-UHFFFAOYSA-N 419.387 4.758 0 1 HJAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc(Cl)c2[nH]1 587174396 JBRRPILKCDQJCJ-ZDUSSCGKSA-N 407.674 4.842 0 1 HJAF O=C1c2ccc(O)cc2OC(c2cccnc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 587333302 CGMDXACHOMHWCT-QHCPKHFHSA-N 412.420 4.624 0 1 HJAF COc1cc(OCc2ccccc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401846 ZCWIHJKLZKAOLK-JOCHJYFZSA-N 419.477 4.880 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)c(OC)cc31)CC2=O 587458124 PYLIEWNVWOXKCP-NRFANRHFSA-N 417.299 4.923 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1O 587549777 RQGQPARXOOYBOG-FXAWDEMLSA-N 402.324 4.820 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(COc3cc(C)cc(C)c3)nc2c1 587564332 JCYZEJHTHMOVEM-UHFFFAOYSA-N 403.276 4.698 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1 587580329 XDNLXYPESAQSKA-MCCOCYNGSA-N 419.477 4.692 0 1 HJAF C[C@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619972 WITQTCPBOCKCEQ-NZQKXSOJSA-N 403.459 4.965 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2F)N1 587727670 OTWQZUJBJJVOIE-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)C2)N1 587769746 PTHBMIACUNEUPW-VFNWGFHPSA-N 403.339 4.614 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2n[nH]c3ccccc23)N1 587789872 BTDMPGWWXWARNT-YUNKPMOVSA-N 402.311 4.847 0 1 HJAF CC(=O)Oc1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587806898 BLRGSHUIDIHOPT-CWTRNNRKSA-N 406.295 4.754 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OCC3CC3)c2)N1 587810521 UQLPDCIQAMWVBO-GIPWTMENSA-N 406.295 4.706 0 1 HJAF Cc1cnc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587854981 SREISPVHPOJDKZ-BMLIUANNSA-N 406.324 4.767 0 1 HJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1cccc(Br)c1 653781596 JISYXFLZIUIOHR-OAQYLSRUSA-N 408.299 4.937 0 1 HJAF Cc1cc(C)cc([C@]2(C3CC3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)c1 962640003 NBOSKSNBNKKSMD-CLJLJLNGSA-N 400.522 4.604 0 1 HJAF Cc1cccc([C@@]2(c3cncc4ccccc34)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962906389 FWIMVRJGUXCHIB-AZGAKELHSA-N 412.464 4.573 0 1 HJAF O=C(Nc1cc[nH]n1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772609157 PMRQQZULQCTBEN-PKNBQFBNSA-N 421.464 4.847 0 1 HJAF CN(CC(F)F)C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772656859 CAJGPKJTNFNEIY-UHFFFAOYSA-N 411.330 4.778 0 1 HJAF C[C@@H](NC(=O)c1cc2c(Cl)cc(C(F)F)cc2n1C)c1ccc(C(=O)O)cc1 1857545454 PHUYSWNQUZMOCF-SNVBAGLBSA-N 406.816 4.959 0 1 HJAF COC(=O)[C@@](O)(c1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1 206048366 CXSJUNKKBUBEMY-JTHBVZDNSA-N 411.885 4.563 0 3 HJAF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H](c1ccc(O)c(O)c1)CO2 5854379 MUISDLZQMBDTJL-SFHVURJKSA-N 424.493 4.885 0 1 HJAF biogenic Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3F)nc3ccccn23)ccc1=O 13493054 NVYYXGQQJYMXCV-UHFFFAOYSA-N 414.415 4.801 0 1 HJAF OCc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 13610344 SZDYQTCZTLGXBX-UHFFFAOYSA-N 412.493 4.617 0 1 HJAF CSc1ccnc(C[S@](=O)c2nc3ccc(OC4CCCCC4)cc3[nH]2)c1 26577412 FOVHDTVASARCRV-HHHXNRCGSA-N 401.557 4.699 0 1 HJAF O=C(c1ccco1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1 27738644 ONBLQKACVXHXMO-UHFFFAOYSA-N 409.917 4.682 0 1 HJAF O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1 28571344 KNGDCCSMFCSMIR-NJDAHSKKSA-N 421.459 4.611 0 1 HJAF Cc1ccc(CN2C(=O)COc3ccc(/C=C4\SC(=S)N=C4O)cc32)cc1C 28883295 JVLDBKWTUJEHJG-NVMNQCDNSA-N 410.520 4.558 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(F)(F)F)c(C)c1 38239326 RBUVZQPMAIWWCG-SFHVURJKSA-N 410.461 4.545 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)NC1CCCCC1)CC2 40950052 HYIUVCZOGRROMZ-HSZRJFAPSA-N 412.505 4.833 0 1 HJAF CN(Cc1ccccc1)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1 43062914 NGDWGFGKTHXWNQ-UHFFFAOYSA-N 424.544 4.905 0 1 HJAF CC(C)(C)OC(=O)NCCCC(=O)O[C@H](Cn1ccnc1)c1ccc2ccccc2c1 49069662 FMUYOSUHKHSLDN-OAQYLSRUSA-N 423.513 4.626 0 1 HJAF COC(=O)n1c([C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)nc2ccccc21 49112746 IFLNBOXJWJFGFW-BBITVKMKSA-N 424.456 4.726 0 1 HJAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1 68153323 UXFHVEVFSFZCGS-JOCHJYFZSA-N 400.482 4.964 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc(C)c1 82146910 VDOVRUYCUPEIJE-IBGZPJMESA-N 402.542 4.943 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1 82179223 OANUGAHCWGFIRC-GOSISDBHSA-N 405.527 4.654 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)cc1 82179276 AOBGORLUUVBCFK-KRWDZBQOSA-N 405.527 4.654 0 1 HJAF CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C(F)(F)F)cc1 95603600 HKOOOUPLSFQABT-UHFFFAOYSA-N 419.403 4.571 0 1 HJAF CC1=Nc2nc(SCC(C)C)nc(O)c2[C@H](c2cccnc2)/C1=C(\O)OC(C)C 103631261 PGDGHYKMSSVRDU-MURKYSCBSA-N 414.531 4.758 0 1 HJAF Nc1ncc(-c2cnc3sc(-c4ccc5[nH]ccc5c4)nn23)cc1C(F)(F)F 114041304 RVPDONJLFXIZQS-UHFFFAOYSA-N 400.389 4.602 0 1 HJAF Cc1c(N(CCCCC(F)(F)F)S(=O)(=O)CCC(=O)O)sc2ccccc12 115234702 IUWDWAGXXBQMKX-UHFFFAOYSA-N 423.478 4.553 0 1 HJAF CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)[C@@H]1CCOC1 141710878 VYZLGXDVYXKPSE-JOCHJYFZSA-N 402.494 4.532 0 1 HJAF COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1OC(C)C 147808761 ZZGANYRCHFYCMC-VQIMIIECSA-N 420.509 4.601 0 1 HJAF Cc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695174 JVXCSRKIMVNCIE-RTWAWAEBSA-N 416.477 4.538 0 1 HJAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)[C@H]3C[C@H]12 299874709 BVOXDGZFFZFRNN-IDFMNTPUSA-N 422.613 4.820 0 1 HJAF CSc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586960758 YAJLJBKKUWRTFG-QHCPKHFHSA-N 409.374 4.788 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cncc(C)c3[nH]2)cc1OC 587055359 BAUXRPXOELTQPP-UHFFFAOYSA-N 422.872 4.856 0 1 HJAF O=C(Nc1cccc(-c2nc3cc(Br)ncc3[nH]2)c1)c1ccc(F)cc1 587163787 SYLFOWKEWXUXLC-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1 587219596 OCGFWPWULOYSTE-SFHVURJKSA-N 424.273 4.984 0 1 HJAF C[C@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331653 DYVYSZPHGOFQGB-ISKFKSNPSA-N 405.425 4.678 0 1 HJAF CCOC(=O)[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353626 ZPOHMEWBDSRBMZ-WIOPSUGQSA-N 420.436 4.657 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587372817 GKMRAIPVHAYKCA-DENIHFKCSA-N 406.438 4.619 0 1 HJAF CC1(C)Cc2nc(N)sc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375600 UODBWISLIZIDSZ-WZONZLPQSA-N 424.497 4.797 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cccc(C(=O)O)c3)c1)O2 587400235 PGWQWWISXMZUNU-QFIPXVFZSA-N 403.434 4.561 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cc1Br)CC2=O 587455903 HMIMYRVOOGHIRH-SFHVURJKSA-N 419.271 4.600 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C[C@@H]3CCCN3CC)c1C)CC2=O 587470255 JRCPECODTNRBMT-MHECFPHRSA-N 410.558 4.954 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2cc(OC)c(OC)cc21 587476542 CRZQYAZNKZMBFF-XMMPIXPASA-N 412.482 4.784 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Br)cc1 587548177 STVAPDCNQODBGR-MOPGFXCFSA-N 411.251 4.728 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591132 USUPULKRVFBEFK-DVECYGJZSA-N 421.449 4.556 0 1 HJAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC 587598742 UYNYUNDYZIIOJV-ZJSXRUAMSA-N 406.434 4.893 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(C(F)(F)F)N1 587701731 CWBCDADOMGMKCY-XXFAHNHDSA-N 403.217 4.511 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2)N1 587711537 HJHZIIPJUDRECP-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1 587725471 QAZUXNDICNRKRB-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2F)N1 587731928 MAHFSMBVODMVPQ-ZIDLFYJRSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CN2CCCC2)N1 587768745 WBFIMUXLQVHVQW-SPLOXXLWSA-N 403.339 4.808 0 1 HJAF Cc1ccn2c(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nc2c1 587775626 SKQNEFVEKJZUNH-MPBGBICISA-N 402.311 4.650 0 1 HJAF CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587800839 ZURGZZKWPSLFJB-MPBGBICISA-N 406.295 4.563 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587856578 IVBUISHJEIAYSM-WYRIXSBYSA-N 408.336 4.870 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1c(C)n[nH]c1C 587867028 UNBVTKAIPJUSCN-UHFFFAOYSA-N 406.408 4.581 0 1 HJAF Cc1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1 587946758 WSNVTRPWUDJYTK-UHFFFAOYSA-N 413.836 4.889 0 1 HJAF CCOc1cc(C(C)=O)c(OCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587947422 XFYORHHBJCJZPE-UHFFFAOYSA-N 402.510 4.539 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cc(Br)c4[nH]1)(C3)C2 587949992 HWJBJWUXRXWFPG-ORMMXULVSA-N 407.283 4.618 0 1 HJAF COc1ccc(-c2cccc([C@@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)n2)cc1 962627258 LDRKCVXNFVJWBM-CPJLOUKISA-N 404.510 4.740 0 1 HJAF CCc1ccccc1[C@]1(c2ccc(F)c(F)c2)NCCc2ccc(C(=O)N(C)C)cc21 962931559 OATLDJPRMJXVDQ-SANMLTNESA-N 420.503 4.667 0 1 HJAF COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(C(C)C)cc3)n2)cc1 1772613688 JKYIDDAAYUDZCN-UHFFFAOYSA-N 413.481 4.714 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772635794 WBKFWXAWWIWBIB-CQSZACIVSA-N 417.431 4.931 0 1 HJAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC4CCOCC4)C=C3C)[nH]c2c1 2356495813 FYGAUIAPKRTUJC-NNMXDRDESA-N 411.590 4.737 0 1 HJAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=C3CC[C@H](C)[C@H]3C[C@@H]2C(C)(C)O)ccc1O 2356566036 UJHQSMHJLBMXAL-CDYWNXMYSA-N 414.542 4.869 0 1 HJAF CC(C)(O)C=CC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 2356593198 ARWYIFHSLQIOAX-CLOONOSVSA-N 422.477 4.686 0 1 HJAF CC1=C[C@H](CNC2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356691119 YAXATQPBJPKCKR-XJUOHMSHSA-N 408.634 4.952 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24C=C[C@]2(C)[C@@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356744802 JPZRLAKTKKZBOO-RFNPZVBNSA-N 414.678 4.710 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 4207560 NVKANAZLWMNUDF-FYYLOGMGSA-N 422.912 4.738 0 1 HJAF CCCCC[C@@H](OC(C)=O)C(Br)=C(Br)Br 14769665 VTLWFFBCGRBGDR-MRVPVSSYSA-N 406.940 4.852 0 1 HJAF biogenic CC(C)C(C/C=C1/C[C@H]([C@H](CO)OC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 26943307 ZKDHGZDBUDHUJV-CNSMUFLESA-N 410.595 4.769 0 1 HJAF O=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 28646963 AXRUGMOQNUJNCR-UHFFFAOYSA-N 406.357 4.530 0 1 HJAF CN(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 36188575 OKVPDEXTEJGPIM-WZAVYVBLSA-N 406.570 4.563 0 1 HJAF O=C(c1cncs1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 40951661 JURPYRJUHDRRPA-UHFFFAOYSA-N 413.861 4.624 0 1 HJAF Cc1ccc(N2C(=O)c3ccccc3S[C@@H]2c2ccc(S(C)(=O)=O)cc2)cc1 43059574 XCNJIEUIDFBRCJ-JOCHJYFZSA-N 409.532 4.850 0 1 HJAF C[C@@H]1CN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCN1Cc1cccc(F)c1 45186718 DVMGUFSSYSUUKQ-GOSISDBHSA-N 421.491 4.928 0 1 HJAF C[C@H]1COCCN1Cc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 66252498 HWCMNGZGIQKDGG-HNNXBMFYSA-N 401.432 4.983 0 1 HJAF Cc1ccc(C)c(Cn2c(Sc3c(Cl)cccc3Cl)cc(=O)[nH]c2=O)c1 84668947 OFZIKLYGMGHRAT-UHFFFAOYSA-N 407.322 4.660 0 1 HJAF CCOC(=O)[C@@H](CC)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 95558712 BRNZVCSYLHOXPF-JOCHJYFZSA-N 407.466 4.578 0 1 HJAF COc1cc(N[C@@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 169321322 ACGILVOUJMSCRZ-ROUUACIJSA-N 400.611 4.839 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@]34C)N2C1 257373595 AANKDJLVHZQCFG-NGIKSBNFSA-N 413.646 4.626 0 1 HJAF Oc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(Cl)c1 587055583 VGGNRYSEOCATMQ-UHFFFAOYSA-N 403.461 4.509 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587235186 GDKOKIYRWYLRCF-RKDXNWHRSA-N 419.835 4.528 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O 587419269 DMNRDTXZUOQWHH-BXKMTCNYSA-N 402.833 4.584 0 1 HJAF COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587429865 XKRDKRGWMNFGOZ-PXDATVDWSA-N 404.437 4.729 0 1 HJAF CC[C@@H]1CN=C(Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1 587451278 JTYRBWYJTBXBGC-PMAPCBKXSA-N 408.523 4.651 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(F)c(Cl)c1)CC2=O 587466470 LUDIYGZKODBQBS-NRFANRHFSA-N 406.837 4.863 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cn([C@H](C)C(=O)O)c3ccccc13)CC2=O 587471776 UOAQEYKIWVLYTR-SHACYNPGSA-N 407.466 4.826 0 1 HJAF Cc1cc(C)c2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)coc2c1 587606500 DIBZQKRVMYQHIT-PXDATVDWSA-N 414.413 4.818 0 1 HJAF CC(C)Oc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660597 QDGHBEBTQNZJCL-UHFFFAOYSA-N 402.425 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncc2Br)N1 587681206 JLPOMGQVJSRJKY-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncc(Br)c2)N1 587686243 SQSSQWJTKRVSTA-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1 587731860 LMMBXMQAAOPINY-JEOXALJRSA-N 404.258 4.537 0 1 HJAF N=c1[nH]cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2[nH]1 587783879 IDLHVOFJDPSZES-UHFFFAOYSA-N 407.477 4.554 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587789151 AFWDMJRMXQTKPC-WIUDPPPLSA-N 417.322 4.616 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccs3)nc2)N1 587857027 ZGHKHOFWNWUGLV-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(OC)c1C 587863845 BAMWEMMBEJLOMK-UHFFFAOYSA-N 404.388 4.973 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccsc1)c1ccccc1C(F)(F)F 963131243 MQBKEGXZWLZBBY-HXUWFJFHSA-N 403.425 4.903 0 1 HJAF CCOC(=O)C[C@@H]1CCC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963830508 BMAMTGJNHHPJDV-AFMDSPMNSA-N 418.537 4.841 0 1 HJAF C[C@@H]1CO[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)O2)[C@H](O)C1 2356517658 PZYXGQMYEMWWHZ-GKPXUDMDSA-N 418.618 4.519 0 1 HJAF C[C@@H]1CC[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@@]43C)O2)OC1 2356724878 BUJRXUZHQCDNJY-UXPKZOFNSA-N 418.618 4.519 0 1 HJAF COc1ccc(-c2cc(NC(C)=O)c3ncc(-c4ccc(F)cc4)n3c2)cc1OC 61909008 BPTIDAQIINGEAV-UHFFFAOYSA-N 405.429 4.783 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215197 GFBBCSZINJABQE-QMZRJTEUSA-N 418.578 4.622 0 1 HJAF O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1 6782615 DNKHHJJYNQTGOM-GOSISDBHSA-N 418.928 4.674 0 1 HJAF OC1=NCN(Cc2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28564193 HXGRTZSUDATKPJ-ZEQRLZLVSA-N 403.570 4.977 0 1 HJAF COP(=O)(OC)C(Cl)(CCCOc1ccccc1)P(=O)(OC)OC 29220656 RSHZHORMDNJBSR-UHFFFAOYSA-N 400.732 4.710 0 1 HJAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2F)c1-c1ccc(C2CC2)cc1 43018620 SAODUSAURYNSRZ-UHFFFAOYSA-N 418.516 4.995 0 1 HJAF CN(Cc1nc2cccc(CCCN3CCCCC3)c2[nH]1)[C@@H]1CCCc2cccnc21 45256556 MKNFQYOGYHJLFR-HSZRJFAPSA-N 417.601 4.886 0 1 HJAF COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4ccc(F)cc4)c(N)n3)cc2)c1 73219331 JBPCZABGSAXGTF-UHFFFAOYSA-N 417.484 4.928 0 1 HJAF COc1cc(/C=C/c2nnc([C@H](C)c3ccc(F)cc3)[nH]2)ccc1-n1cnc(C)c1 95579961 CRJMPGQRVVAATK-QHQPLOKBSA-N 403.461 4.769 0 1 HJAF CCOC(=O)c1[nH]c(Br)c(-c2c[nH]c3ccccc23)c1Br 96933262 DNSQPOPYMMJEFY-UHFFFAOYSA-N 412.081 4.865 0 1 HJAF Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633079 DGOIEPCGZNYRHM-RDTXWAMCSA-N 422.575 4.883 0 1 HJAF O=C(/C=C/c1cnccc1-c1ccc(F)cc1)Nc1ccc(CCc2nnco2)cc1 148323261 IICSXHYHGAAWBA-IZZDOVSWSA-N 414.440 4.708 0 1 HJAF CCCc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]2c2ccccc2OC)cc1 169694915 ODTPWOCZVCYFMI-RTWAWAEBSA-N 407.510 4.536 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccccc3)nc2)n1 205141546 PVCIBEUBAOJSPW-OXJNMPFZSA-N 403.486 4.693 0 1 HJAF CC(C)=CCC/C(C)=C/COc1ccc(C(=O)[C@H](O)Cc2ccc(O)cc2)c(O)c1 238736762 VYLOLEWQBDGYSZ-XBEJUPMFSA-N 410.510 4.956 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)c(C)c3[nH]2)cc1 586970629 NAWWPNWFVZEOCX-UHFFFAOYSA-N 418.360 4.857 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Br)nc2[nH]1 587136428 GENJTSHSFZQKTB-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 587156655 OTJUNLADMVDUOS-HOYKHHGWSA-N 417.440 4.622 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(OC)c3[nH]2)c1C 587165869 NSGNGYXYAJOHBO-UHFFFAOYSA-N 421.472 4.907 0 1 HJAF C[C@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331364 PKHGTMRANFFTCR-OXJNMPFZSA-N 419.239 4.902 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587339694 UPESTFIODSBRQC-LADGPHEKSA-N 405.425 4.764 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)O2 587395190 LLHXAJNLJODMEW-KBMIEXCESA-N 422.525 4.706 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc4c1ccn4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587432052 UALMMZJBHZEADC-HTAPYJJXSA-N 405.450 4.922 0 1 HJAF COc1cc(OC)cc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587441589 HQWDXLXLLXKSBJ-PXDATVDWSA-N 418.445 4.993 0 1 HJAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O 587475542 PFVBOWDGYZNTRP-YWZLYKJASA-N 403.519 4.716 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(Br)cc12 587548378 TYWILYBHYLETLK-SIKLNZKXSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1F 587566958 COQMYDVVNOJKMX-JXFKEZNVSA-N 415.214 4.997 0 1 HJAF CCn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587574792 CDAAIFLFMNOUCD-HYBUGGRVSA-N 400.434 4.639 0 1 HJAF C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581831 JEEBSECMDOJJAH-XZLZDHACSA-N 415.489 4.777 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1cc(Br)ccc1Br 587651683 XRYBQHSSBOBDKJ-UHFFFAOYSA-N 414.484 4.564 0 1 HJAF Cc1cc(C)c(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587661313 WTBTXGIWOAIXDQ-UHFFFAOYSA-N 415.468 4.880 0 1 HJAF CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587705830 NOPMZTNENFXRGI-QLJPJBMISA-N 410.249 4.885 0 1 HJAF COc1c(F)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587717122 FLZULUPRQZHWSD-LZVRBXCZSA-N 400.238 4.673 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1 587735765 UYIFLJDKCGPENL-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587740827 FQNBPSLURWNNCF-QKKBWIMNSA-N 419.338 4.983 0 1 HJAF COC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587803880 CICJFYWBKNUJEI-BLVKFPJESA-N 406.295 4.583 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1 587841507 BHLXFTYSLSWCPD-ZMZPIMSZSA-N 423.351 4.986 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC)c(OC)c1 587858807 MXKUXPGAYVSHJM-UHFFFAOYSA-N 421.280 4.961 0 1 HJAF COc1ccc(-c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)cc1 587934600 FEFDVSOJBFYZPY-UHFFFAOYSA-N 410.477 4.661 0 1 HJAF COc1cc2c(cc1OC)[C@](c1cccnc1)(c1ccc(F)c(C)c1)N(C)[C@H](C)C2 962625690 FNRXLMCYNXTLSP-CRICUBBOSA-N 406.501 4.715 0 1 HJAF Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc12 962722428 WZGMNBLEBLYTAG-PMACEKPBSA-N 403.375 4.994 0 1 HJAF Cc1cc([C@@]2(c3ccc(C)c(C)c3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ccn1 962760565 GBVHPTLNNNRWMQ-ISKFKSNPSA-N 424.466 4.944 0 1 HJAF Cc1cc(C)c(C(=O)C[C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962973380 VZDKXXYVEFZTHP-OPAMFIHVSA-N 421.871 4.631 0 1 HJAF COc1ccc([C@]2(CC(C)(C)C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962998243 TZENHXXFQNBBMX-JTSKRJEESA-N 423.887 4.906 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(c1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)O 963071353 QYIJUBVOBVHRTB-QFIPXVFZSA-N 413.304 4.833 0 1 HJAF CC(C)C(=O)[C@@H]1CCCC[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175681 RUSLLYKJWQOFFI-UVIMBBFXSA-N 417.855 4.568 0 1 HJAF CCCCCCOc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963231910 SDWNTTDXYWTTEE-BJKOFHAPSA-N 404.510 4.882 0 1 HJAF CC[C@@H](C)C(=O)c1ccc(OCC(=O)NCCc2ccc(O)cc2)c(Cl)c1Cl 1772612829 BSUQYFCXKDIHOO-CYBMUJFWSA-N 424.324 4.666 0 1 HJAF Cc1nn(-c2ccccc2)c2c1[C@H](/C=C/c1ccc(C(C)(C)C)cc1)CS(=O)(=O)O2 1857620713 PIGWIXHZFPVATE-YFPIXMDGSA-N 422.550 4.997 0 1 HJAF Cc1noc(C)c1-c1ccc([C@H](C)Nc2cncc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 1857647916 UJGXRPZJGCYMAE-IFXJQAMLSA-N 421.501 4.903 0 1 HJAF C[C@]1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 1857743690 NZVCGXAIFBXHCL-BHKQYGBYSA-N 403.453 4.955 0 1 HJAF CC(C)=C1C[C@H]2O[C@H]3CC(=O)O[C@@]4(CC[C@]5(C)[C@H](c6ccoc6)CC(=O)[C@H]5[C@]24C)[C@@]13C 2356390210 UFKBHGSCOKYVMC-POCSNYPYSA-N 424.537 4.958 0 1 HJAF C[C@@H]1/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C/CC(=O)N[C@@H]1c1ccccc1 36381745 NRHNQHSEKZNYCZ-AQJWRGKRSA-N 402.538 4.880 0 3 HJAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)N[C@H](C)C(C)C)cc1 776907 NJHQPBUIPFMOKY-OAHLLOKOSA-N 424.497 4.809 0 1 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4211537 NSAQUJHZHXGVSX-FPOVZHCZSA-N 412.848 4.523 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3OC(C)=O 6006542 UVGXEFBQPYOCKP-IZDJOXEWSA-N 412.482 4.951 0 1 HJAF biogenic CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1 13471428 VDMXQMKKYAQTLW-UHFFFAOYSA-N 418.375 4.888 0 1 HJAF O=C(O)Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21 28822719 GPOKBAQNQTXHEM-UHFFFAOYSA-N 416.355 4.979 0 1 HJAF CCCCCCN1CCC(N2C[C@H](c3ccnc4ccc(OC)cc34)OC2=O)CC1 28893501 PSSYDOSVEYFXCT-HSZRJFAPSA-N 411.546 4.781 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@@H]2[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]42C)[C@@H]1CC3 95910849 ICSCULPVAJQROK-DNGRTMOJSA-N 411.630 4.836 0 1 HJAF biogenic,in-vitro O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(F)ccc31)c1ccccc1CO2 100641927 FCEHDKSQEYKZGY-DJKKODMXSA-N 400.409 4.898 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104075514 VAXZRGGYNXYUGT-XOBRGWDASA-N 401.890 4.870 0 1 HJAF Cn1c2ccccc2c2cc(C3(COc4ncccc4-c4cncnc4)CC3)cnc21 169337417 VBGROGMZFVASFY-UHFFFAOYSA-N 407.477 4.689 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cccc(F)c3F)cc1[C@@]21N=C(C)C(N)=N1 169708757 QUDGAPHVUAEHFA-KGMOOGKZSA-N 409.480 4.748 0 1 HJAF COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(=O)n(C5CCC5)cc-4[nH]c23)c1 169729126 SNRNILDHOXMZBR-UHFFFAOYSA-N 407.445 4.565 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O 203687957 SJMPMSJGLXCAEZ-UHFFFAOYSA-N 422.916 4.880 0 1 HJAF CCOC(=O)C[C@@H](Nc1cc(-c2cccc(OC)c2)nc(C)n1)c1cccc(OC)c1 205841282 CGVDBEFERLMISR-JOCHJYFZSA-N 421.497 4.576 0 1 HJAF CC1(C)COc2c(-c3nc4c(Br)cnc(Br)c4[nH]3)cccc21 586911715 LQKDHDQNWAPQLO-UHFFFAOYSA-N 423.108 4.820 0 1 HJAF O=[S@](CCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1 586957667 AKQFDGOWECTSCG-RUZDIDTESA-N 414.328 4.614 0 1 HJAF Cc1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587003562 MIDQLJASBRJHOG-UHFFFAOYSA-N 406.081 4.940 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(C)c(C)c2[nH]1 587065662 WMSMOOFEBJNGBS-UHFFFAOYSA-N 423.694 4.996 0 1 HJAF CN(C)C(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587149480 HHLXLMZWPXWPBW-NRFANRHFSA-N 407.420 4.711 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2cnoc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 587351207 ZFGHUYOXOWWZCH-VWNXMTODSA-N 417.392 4.528 0 1 HJAF CSc1ncc2c(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379070 WWXVIHMFTYFMQS-OFNKIYASSA-N 422.481 4.634 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(Cl)cc1F)[C@@H](C2)C3=O 587424871 WRSHGOPGRUFROL-VOJFVSQTSA-N 411.654 4.913 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)c(OC)c1)CC2=O 587456567 RFJDLFXWVAOYTF-QGZVFWFLSA-N 421.287 4.831 0 1 HJAF O=C1C[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1 587503118 WVIRKUKHCZROGW-AVRDEDQJSA-N 415.411 4.549 0 1 HJAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1Cl 587547475 SYCJOGVUASPJJS-HTAPYJJXSA-N 411.841 4.513 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c(F)c(F)c(F)c1F 587553614 FWDDOIORFCCCLM-ODXCJYRJSA-N 408.278 4.791 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ncccn2)cc1 587589558 YBNGLZBXEWTOPZ-REWPJTCUSA-N 412.401 4.677 0 1 HJAF CCOc1c(OC)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587595930 LZRPZVRVBBHJRH-NZQKXSOJSA-N 422.433 4.511 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1 587694007 FWGXFSVABHROGM-NIVTXAMTSA-N 412.686 4.508 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 587726986 AMUDAFLMFKSQIM-BIBXISHDSA-N 418.285 4.845 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1 587753815 JTKOZLWWEUJSKR-GTNSWQLSSA-N 409.299 4.797 0 1 HJAF Cc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760741 QIPNHHGXOVJVMZ-ZUOKHONESA-N 400.295 4.706 0 1 HJAF Cc1nc2ccccc2nc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587779358 REDVIXOEQJBHAK-BIBXISHDSA-N 400.295 4.638 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587795539 YDCUQSAFRZQUTJ-GJPGNPISSA-N 411.315 4.639 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825292 GRMRCKHAZDRQKP-PSDSMZFISA-N 408.355 4.669 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2 587833802 OYIJKIBMXDCUQS-OABGYEMISA-N 420.322 4.934 0 1 HJAF CCOc1ccc(CC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1OCC 587870837 SXECBDWOWAFCFL-UHFFFAOYSA-N 412.461 4.768 0 1 HJAF COc1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1OC 653882394 VXSUGISEQCLXJS-NRFANRHFSA-N 416.477 4.831 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1cccnc1)(c1ccc(F)c(C)c1)N(C)[C@@H](C)C2 962625703 FNRXLMCYNXTLSP-GKVSMKOHSA-N 406.501 4.715 0 1 HJAF Cc1ccc(-c2nc([C@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cs2)cc1 962962832 HTPJQSNWBUOVMP-KBXCAEBGSA-N 420.868 4.738 0 1 HJAF O=C(c1cn2nc(C3CC3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1 1857568466 AWEAEJSIPNJNIQ-UHFFFAOYSA-N 414.431 4.645 0 1 HJAF C[C@H](CCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356345665 XIVYAVYHUZLGIV-UNRHHUQTSA-N 416.599 4.794 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H]([C@H]2CC(=O)NC2=O)O[C@@H]1O 2356531973 DHMXAXCAWHUFET-RQTOMXEWSA-N 415.574 4.882 0 1 HJAF CC(C)Oc1ccc(CN2CC[C@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61906871 PAXFUJBOXXMMGZ-AREMUKBSSA-N 402.538 4.908 0 3 HJAF CCc1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)cc1 6425647 JDBLIKJYUHYRPZ-IBGZPJMESA-N 410.322 4.676 0 1 HJAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C3CC3)[nH]c(=O)c12 13585123 YDTUONBJSNPLGH-UHFFFAOYSA-N 401.706 4.668 0 1 HJAF Cc1[nH]c2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 14957835 MAPXATSSORDMDF-IBGZPJMESA-N 411.509 4.672 0 1 HJAF CC[C@@](C)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(=O)O 28096290 KMDMEBAGSHHFKW-QHCPKHFHSA-N 410.445 4.782 0 1 HJAF C[C@H](CCC(=O)C(C)(C)O)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C 36401883 KEHHENHIHMFJAY-AVVHVZKBSA-N 416.602 4.638 0 1 HJAF CC[C@H]1CCCCN1c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40412239 KTWIOSSRYMSRAX-KRWDZBQOSA-N 409.534 4.503 0 1 HJAF CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 43016388 CAZFILKGZKZPEU-OAQYLSRUSA-N 413.495 4.681 0 1 HJAF NC[C@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 45194746 OCVNSWZOVKPWEE-JOCHJYFZSA-N 400.501 4.959 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C(F)(F)F)CC3=O 45318992 ACPZLZLXFZDHQU-CYBMUJFWSA-N 408.372 4.826 0 1 HJAF COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)s2)cc1 73239935 RGTHVEWAYQLDNA-NYYWCZLTSA-N 405.401 4.884 0 1 HJAF COc1ccccc1Nc1nnc([C@@H](O)c2cccc(OCc3ccccc3)c2)s1 82081863 OWRYRGMCGKKKKP-NRFANRHFSA-N 419.506 4.951 0 1 HJAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878283 JVXCBFZGQSQKGM-VEXUSMLFSA-N 420.459 4.622 0 1 HJAF CC(=O)N1N=C(c2ccccc2Br)C[C@@H]1c1ccc2oc(=S)[nH]c2c1 96934832 XWQUMDJGTQJCHP-MRXNPFEDSA-N 416.300 4.950 0 1 HJAF O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O 103170102 RYSDJQDANSTAGM-SFHVURJKSA-N 414.955 4.644 0 1 HJAF CCC(CC)C(=O)Oc1coc(CSc2nnc(-c3ccccc3)s2)cc1=O 103240518 FMUNYCCTOHSTSC-UHFFFAOYSA-N 416.524 4.792 0 1 HJAF O=C1c2cc(-c3cccc(Oc4ccccc4)c3)ccc2OCCN1Cc1ncccn1 206197890 XJEIZUSJYVOBBN-UHFFFAOYSA-N 423.472 4.971 0 1 HJAF CC(=O)O[C@H]1/C=C(/C)CC(=O)C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 238752430 BIVURAJWBKYIFM-VTFALECKSA-N 404.547 4.794 0 1 HJAF FC(F)(F)Oc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995790 OXKKJNFHBZAYFJ-UHFFFAOYSA-N 400.198 4.879 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc(Cl)c3[nH]2)c1 587048217 GZIRXBCDZAHFPJ-SREVYHEPSA-N 418.284 4.655 0 1 HJAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587052822 ONKBPDNJZJZEAZ-SNVBAGLBSA-N 406.191 4.716 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(F)c2[nH]1 587081165 WPICTFPFCBNVQU-LBPRGKRZSA-N 407.674 4.842 0 1 HJAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(F)c(F)c2[nH]1 587167062 GXLGNSGGBVOBKY-UHFFFAOYSA-N 409.414 4.510 0 1 HJAF Cn1ncc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587339204 FJZXVHNHMHZQJB-VWNXMTODSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O 587449341 ACPYHFCBAZVMBP-KYKLJTSTSA-N 421.518 4.748 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 587491605 OIABYISQWXLMHG-UHFFFAOYSA-N 404.418 4.771 0 1 HJAF Cn1cc([C@@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587505620 PMPAQPRFRRJSJZ-RUZDIDTESA-N 403.453 4.765 0 1 HJAF CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587506995 PRXMDUXEFVPXDP-MPEZAXDWSA-N 409.570 4.964 0 1 HJAF O=C1C[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)Oc2c1ccc1c2CCCC1 587513892 LRQJEPKPFPILOE-DEOSSOPVSA-N 419.521 4.615 0 1 HJAF O=C1C[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587529003 HJLJKZQKDAKVGG-AREMUKBSSA-N 406.522 4.785 0 1 HJAF CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530853 IAHNVNJOXNQCMF-LJQANCHMSA-N 404.915 4.719 0 1 HJAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1Cl 587547482 SYCJOGVUASPJJS-VGOFRKELSA-N 411.841 4.513 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(F)cc1 587571420 ODWPQJJHODPTJL-CVDCTZTESA-N 402.381 4.624 0 1 HJAF CC(=O)Oc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600053 KKIOICRZDRVSRM-DHLKQENFSA-N 418.445 4.671 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)n2)N1 587682041 MFRYPGLINCRWGT-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF COc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587710605 TYNRTNYISDGMIR-BTDLBPIBSA-N 418.228 4.937 0 1 HJAF COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587791314 HIXULYDKMXWLKZ-RBZFPXEDSA-N 408.311 4.627 0 1 HJAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795398 IUPOTUBRCZJZER-LHSJRXKWSA-N 420.322 4.546 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(=O)c1ccccc12 587825263 CCXMEIHAYTXWEA-ZDUSSCGKSA-N 422.297 4.959 0 1 HJAF CO[C@@H](C)COC1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 587952556 TVEVZIDMCBFTES-WHXUTIOJSA-N 403.267 4.681 0 1 HJAF COC[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962637124 KJPLPAIHMOSMDC-AHWVRZQESA-N 418.968 4.977 0 1 HJAF C[C@]1(c2cc3ccc(F)cc3oc2=O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962694887 FHQVAFPZEXIEEZ-WAIKUNEKSA-N 413.489 4.698 0 1 HJAF Cc1c2ccc([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)cc2nn1C 962950368 DTWRQEJYYOAJFH-OAQYLSRUSA-N 415.459 4.641 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC3 963070284 SUTVFSPDAGNTCS-MJGOQNOKSA-N 413.562 4.760 0 1 HJAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)cs1 1250615634 WMRDNSRHBXVSTB-UHFFFAOYSA-N 423.519 4.723 0 1 HJAF Cc1ccc(S(=O)(=O)Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 1857559395 YFKNAMFEYNLPMP-UHFFFAOYSA-N 401.871 4.668 0 1 HJAF COc1cc2c(cc1OCCCN1Cc3cccc(OC)c3C1)NC(=N)C21CCCC1 1857571078 VBYKJAGNFZVTEY-UHFFFAOYSA-N 421.541 4.703 0 1 HJAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C3 1857641385 CFWQLQINZAVWGP-IZCXAEKASA-N 412.526 4.609 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 2356533656 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HJAF OCC1CCN(c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95563856 KBFXSDGXJYLEMW-UHFFFAOYSA-N 415.497 4.703 0 1 HJAF COc1ccccc1OC[C@H]1COC(COc2cccc3[nH]c4ccccc4c23)=N1 96939769 GCNRIHIVCPYMIG-INIZCTEOSA-N 402.450 4.585 0 1 HJAF O=C(O)c1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)c1 118601057 LYRSLKXGTGAITP-HXUWFJFHSA-N 422.506 4.641 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169368929 XZGUOAXOYPYCGD-XTTXHFIYSA-N 400.607 4.645 0 1 HJAF NC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1 169703659 WLPKUYWGEAKKMH-MAEOIBBWSA-N 422.964 4.734 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@H]2CCCC[C@@H]21 586960027 MHDWQAWZBOMWHL-UAOJZALGSA-N 415.946 4.911 0 1 HJAF O[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl 587058483 GSVJPOZOEYXFDS-ZDUSSCGKSA-N 421.600 4.959 0 1 HJAF N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587158962 ZGCLQJNACFIUNJ-XXFAHNHDSA-N 414.200 4.825 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)c1c(CO)oc2cc(Br)cnc12 587277041 WWLFXHIYRNSRPR-UHFFFAOYSA-N 424.678 4.776 0 1 HJAF CCOC(=O)[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353472 ZOIXPBXSOXLBCQ-LEEZEASISA-N 412.457 4.772 0 1 HJAF COc1ccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587404391 XLDFICWLIDUPHM-QFIPXVFZSA-N 403.434 4.512 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccc1C(=O)OC)CC2=O 587472252 ZHFRHALWAOHIEI-QFIPXVFZSA-N 405.450 4.629 0 1 HJAF Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587540649 PZZQOVZHLSCZHG-YLJYHZDGSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(O)c1 587541133 TWQUZEKTUGZTMI-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC[C@H]2CCCO2)c1 587615786 HLIJBMJLUIFUFL-MOADCYBESA-N 418.445 4.653 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1 587739482 HHXLBDQOAAUFRD-BLVKFPJESA-N 415.347 4.595 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742458 RKMIWGOZRFHSAG-ZBEGNZNMSA-N 415.347 4.809 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12 587743037 CLHDPLXFFTWNGC-IPQOISQHSA-N 409.302 4.977 0 1 HJAF Cc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774658 NJHYWDQIDAIMOU-RNODOKPDSA-N 412.306 4.977 0 1 HJAF CCCCOc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Br 587781429 JFLQEVRTPOVJNQ-UHFFFAOYSA-N 417.303 4.790 0 1 HJAF COc1ccc(-c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790017 BIPMFLSUKCKMIB-BIBXISHDSA-N 417.278 4.875 0 1 HJAF Cc1cccc([C@]2(c3cnc[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587793175 QLWNTEBQUSCTKR-ZSEKCTLFSA-N 414.322 4.754 0 1 HJAF Cc1cc(C)c2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587837550 ILNYTUALOFQYLJ-BUXKBTBVSA-N 416.290 4.935 0 1 HJAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962639282 PYDQNBGTAQHXBJ-OVTKCHPXSA-N 423.604 4.923 0 1 HJAF Cc1ccc(N2CCC3(CC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc23)cc1Cl 962727675 ADYJXMNMMNIGHU-IBGZPJMESA-N 422.878 4.790 0 1 HJAF COc1ccccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)o1 963630102 BMTRBCFIVDKCBG-OWJWWREXSA-N 409.482 4.508 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857575669 GAKQCHSAMHXTOB-ARNLJNQMSA-N 408.494 4.900 0 1 HJAF CC[C@@H](O)c1ccc2c(-c3cccc(C(N)=S)c3)cn(CC(CF)CF)c2c1 1857577126 BSQWVYQRUGHOLM-OAQYLSRUSA-N 402.510 4.941 0 1 HJAF C[C@]12CC[C@H](O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@H](c4ccoc4)[C@@]2(C)CC[C@@H]13 2356336369 LZBMDSMLVLGIEW-UDKFLKDMSA-N 412.570 4.673 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC(C)C)[C@@]2(C)[C@H]1C(=O)O 2356387403 RVUAPZKQDQMXCM-CZRDQVRISA-N 418.530 4.853 0 1 HJAF CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356571016 DEMDQMZDGUZBDH-DHJVTGTOSA-N 400.559 4.578 0 1 HJAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C(C)C)CC[C@]3(C)CCC[C@@](C)(O)[C@H]23)cc1O 2356638059 QKFIDIQJEROXCT-JKQNWLLZSA-N 416.558 4.949 0 1 HJAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3ccc(Cl)cc3)CC1)O2 13651326 BPUJZMNETXTOAI-DEOSSOPVSA-N 414.977 4.877 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2cc(NCCCN(C)C)ccc2n2cncc12 13860334 UEPVNPWNWIQJIK-UHFFFAOYSA-N 408.937 4.952 0 1 HJAF COc1ccc(OC)c(CN2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1 20779528 RTAIKCVHHRAHEH-LJQANCHMSA-N 421.516 4.988 0 1 HJAF CC(=O)N(C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 28119324 RMWMPXWLDCTYLQ-VWLOTQADSA-N 413.521 4.663 0 1 HJAF O=C(O)/C(=C/c1ccc(-c2cccc(OC(F)(F)F)c2)o1)NC(=O)c1ccccc1 28523391 LIARURVOXXKATK-ATVHPVEESA-N 417.339 4.701 0 1 HJAF CC(C)NC(=O)Nc1cccc(-c2cccc3c(C(=O)c4cccs4)cnn23)c1 28819332 DIKKOLKNCOECRD-UHFFFAOYSA-N 404.495 4.824 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3cccc(C)c23)C(F)(F)F)c(C)c1 35997719 OWWJZAKLVDXCMD-GOSISDBHSA-N 424.488 4.853 0 1 HJAF CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)n1 40873456 RVZNLBVEAAIVDM-UHFFFAOYSA-N 409.453 4.993 0 1 HJAF CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(S(=O)(=O)c2ccccc2)c2ccccc21 49111053 VSEQHQHTFSCJDD-UUOWRZLLSA-N 420.534 4.768 0 1 HJAF COc1cccc(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)c1 49112131 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Nc1c2c(nc3c1[C@@H](c1cccs1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284152 PRYUGIMEVRSVAV-QGZVFWFLSA-N 402.475 4.996 0 1 HJAF CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1OC 102411550 VFDDAIZJNOTMLC-LCAKOPPLSA-N 421.493 4.674 0 1 HJAF OC1=NC[C@H]2[C@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1 169334377 XJVLXUUXKGHKOC-OKZBNKHCSA-N 416.344 4.637 0 1 HJAF Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3cc4c(cc3cc12)OCCO4 169340917 APEJMMAQPWUEPN-UHFFFAOYSA-N 411.870 4.709 0 1 HJAF CC(=O)Nc1ccc(-c2noc(C[C@@H]3CCCN(Cc4cccc(F)c4C)C3)n2)cc1 230564006 XFSYGJBPBTWLFR-SFHVURJKSA-N 422.504 4.597 0 1 HJAF C/C=C(\C)C(=O)OCc1c2c(c(OC)c3occ(COC(C)=O)c13)CCC[C@@H]2C 238755703 HGIPTKYNICIYKL-BLXFFLACSA-N 400.471 4.954 0 1 HJAF COC(=O)c1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 299839500 YKQRFARRQYLQIE-UHFFFAOYSA-N 415.533 4.621 0 1 HJAF Cc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl 587002436 FJWZYECWEMJYPY-JTQLQIEISA-N 405.679 4.923 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1 587019608 QUFSXIZRMSRLBO-UHFFFAOYSA-N 400.838 4.889 0 1 HJAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587043397 QHUAVOQZCWRSOD-LLVKDONJSA-N 402.745 4.599 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(OC(C)C)cc2[nH]1 587111311 ABOKSIXGWCUWQE-HXUWFJFHSA-N 405.420 4.769 0 1 HJAF CC(C)CCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587136655 URTRAGIVFSMNDW-UHFFFAOYSA-N 407.287 4.721 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1 587346726 NAQRZHKFGGGKNH-NOZRDPDXSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2 587391918 ZXLKFQVLUFETKI-MZNJEOGPSA-N 418.493 4.542 0 1 HJAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418506 INYDZKWRGJVAJB-CXJFKTAMSA-N 404.293 4.720 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1cc(F)ccc1O)[C@@H](C2)C3=O 587426963 FPMBUDWGYBWWEV-MBSDFSHPSA-N 410.828 4.885 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cccc(O)c14)[C@@H](C2)C3=O 587429286 ATQVXILPDZMMNZ-RCDICMHDSA-N 421.449 4.627 0 1 HJAF COc1ccc(-c2nc(C)c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587450347 JOURKULRVXGHDZ-HXOBKFHXSA-N 407.491 4.799 0 1 HJAF C[C@@H]1CCC[C@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587581685 IYOSDZOFJQEFJQ-FGSXEWAUSA-N 407.510 4.767 0 1 HJAF CCOc1c(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587595932 LZRPZVRVBBHJRH-REWPJTCUSA-N 422.433 4.511 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](O)c1ccccc1 587605944 BXSPGIQTFYNPNV-YGPDHOBYSA-N 424.452 4.983 0 1 HJAF Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587657839 APYVGTOYHWAKAE-KRWDZBQOSA-N 416.452 4.927 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(F)cc2)N1 587735826 QKEVGBLVQWYELI-YEJXKQKISA-N 415.281 4.948 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1 587746682 NXPOHHHIBWMIIH-YBTHPKLGSA-N 405.311 4.509 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)nc2)N1 587766356 NEYAIOJJXOCZSD-XCLFUZPHSA-N 404.327 4.597 0 1 HJAF CC(=O)Oc1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587806897 BLRGSHUIDIHOPT-BUXKBTBVSA-N 406.295 4.754 0 1 HJAF CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807001 KMEABMPRDHHVCZ-MPBGBICISA-N 406.295 4.563 0 1 HJAF COc1ccc(COc2cccc3oc(-c4cn5nc(SC)sc5n4)nc23)cc1 653760649 LXDZRCDEKRYKCL-UHFFFAOYSA-N 424.507 4.909 0 1 HJAF Nc1ccc2c(c1)[C@]1(NCCc3cc(-c4ccccc4)ccc31)c1ccccc1C2=O 962660966 DLIYSXRTEUROAL-MUUNZHRXSA-N 402.497 4.918 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21C=CC2(CCOCC2)CC1 962960038 RTXLGXDKJPCXDQ-QFIPXVFZSA-N 407.476 4.699 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1cccnc1)c1c[nH]c2ccccc12 963047367 OJDXXHHSIPZVGM-SANMLTNESA-N 406.489 4.557 0 1 HJAF O=C(O)c1cccc2c1CCN[C@]2(c1c(F)cccc1F)c1cncc2ccccc12 963127490 XXFDGJGMXUPPES-VWLOTQADSA-N 416.427 4.649 0 1 HJAF CC(=O)O[C@H](CCC(C)=C[C@H](O)CC(C)=CCCc1ccoc1)[C@@]1(C)CCC(=O)O1 2356420143 QBMTWQFCLDXOKN-CQOQZXRMSA-N 418.530 4.663 0 1 HJAF C[C@@H]1[C@H]2[C@@H](O)C[C@@H](C)CN2[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356588589 ATEWGTOGFJMCPH-QAQRTNARSA-N 415.662 4.706 0 1 HJAF CC(C)(O)C=CC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 2356593200 ARWYIFHSLQIOAX-KBMIEXCESA-N 422.477 4.686 0 1 HJAF CC(C)Oc1ccc(CN2CC[C@]2(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 61905353 BCLYLNXHYFDDLT-JOCHJYFZSA-N 420.475 4.773 0 3 HJAF Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@H]2C(=O)NC(C)C)cc1 103054190 QHIVQRQVYLSJBB-DEOSSOPVSA-N 411.505 4.669 0 3 HJAF FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 1486791 FQTAWOSMTOTGBJ-UHFFFAOYSA-N 417.532 4.728 0 1 HJAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCC(C)(C)CO 4310441 MPYVNZQHSMOUDG-OALUTQOASA-N 412.933 4.628 0 1 HJAF CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1 13523688 QIDPSTINRHXLAQ-UHFFFAOYSA-N 403.313 4.931 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(C(=O)OCC3CCCC3)cc21 13650705 ZOVMOLUFFUGPGW-UHFFFAOYSA-N 407.466 4.743 0 1 HJAF CCCCN1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1 22939788 OCELNBAHYXGUKT-RUZDIDTESA-N 407.602 4.676 0 1 HJAF O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4cc(Cl)ccc4o3)c1)C2=O 26968972 ACOHGTALPKSEDI-UHFFFAOYSA-N 418.792 4.647 0 1 HJAF CN(C)c1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(N(C)C)c3)n2)ccc1O 28948982 UKZMDFAYHFBTEO-QHKWOANTSA-N 401.510 4.966 0 1 HJAF COc1ccc2c(NC3CCCCCC3)nc(N3CCC(N4CCCC4)CC3)nc2c1 40860849 DZSXOSFSUGNQQK-UHFFFAOYSA-N 423.605 4.838 0 1 HJAF COc1ccc([C@H]2CC(=O)c3c(OC)cc(OC)c(CC=C(C)C)c3O2)cc1OC 45286623 KBPWAJPFHMEGLH-LJQANCHMSA-N 412.482 4.936 0 1 HJAF biogenic CC[C@H](C)[C@H](Nc1nc(-c2ccc3ccccc3c2)cs1)C(=O)NCCCOC 82195255 IAEABUGPTGYUGL-KKSFZXQISA-N 411.571 4.943 0 1 HJAF CCCC[C@H](CC)CNC(=O)CNc1nc(-c2cc(OC)ccc2OC)cs1 82197850 PSOMZRRCZJBXLI-HNNXBMFYSA-N 405.564 4.572 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104075525 VAXZRGGYNXYUGT-VLIAUNLRSA-N 401.890 4.870 0 1 HJAF COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 141598665 OPNCBMYHRCYEGA-ZPOFDXGNSA-O 424.653 4.669 0 1 HJAF C[C@H]1CCC[C@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 142827562 NXQHNMMSSKQLOJ-ROUUACIJSA-N 417.513 4.920 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@@H]2CCCC[C@@H]21 169292913 GFRMFVSDSQREBC-FRQCXROJSA-N 408.361 4.596 0 1 HJAF in-vitro CCNC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@@H](C)c2ccc(F)cc2)C1 207762428 OQTUMNSPABDCGO-HNNXBMFYSA-N 410.468 4.525 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 215902570 BNGROQZZKLNDIO-KBXCAEBGSA-N 423.538 4.640 0 1 HJAF CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 238784884 NEFYKPBXUDOECH-PXDATVDWSA-N 422.477 4.672 0 1 HJAF CN(C)C(=S)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 299840068 VHSBHAFTPKBFSF-UHFFFAOYSA-N 402.825 4.836 0 1 HJAF Cc1c(Br)ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586997728 RXSPEJLDBSCNRQ-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF Cc1cc(Br)cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587042494 KYTFLQOMWANYOY-AWEZNQCLSA-N 422.735 4.943 0 1 HJAF O=c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052355 PEYKAXMDJKWBNQ-UHFFFAOYSA-N 405.672 4.795 0 1 HJAF Fc1ccc(O[C@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)cc1F 587151192 QXWKUDCUGXJSQU-OAHLLOKOSA-N 417.213 4.514 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587198374 HWFHAAJDVIMSSB-UHFFFAOYSA-N 411.387 4.503 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1 587218609 JZOBZRKUBVGTKH-QGZVFWFLSA-N 422.282 4.550 0 1 HJAF Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 587252146 XOPDVTHZRJOBTQ-UHFFFAOYSA-N 412.209 4.742 0 1 HJAF CCN[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341128 WNJSOWZFJIWUIH-KITIHOALSA-N 405.469 4.784 0 1 HJAF COC(=O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355608 YTVSEWSMELQOAD-UKILVPOCSA-N 420.436 4.739 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4F)nc4sccn14)[C@@H](C2)C3=O 587428173 XROVZTZFQNIBPR-LHSJRXKWSA-N 406.438 4.699 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587453587 RJZPYHAPJOBOSL-XDHUDOTRSA-N 403.503 4.519 0 1 HJAF COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587547886 VFLNYAKGHNKKOG-SIKLNZKXSA-N 412.825 4.766 0 1 HJAF Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 587575750 DAJUJDDTGDOUOW-BVAGGSTKSA-N 423.424 4.986 0 1 HJAF CCOc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1CC(C)C 587582571 PXKIEMRAKWSAOF-REWPJTCUSA-N 422.481 4.655 0 1 HJAF Cc1csc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613374 OKMYBMMYYKNEKT-NQIIRXRSSA-N 404.447 4.651 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587743815 PUUJPGYAJDVOSB-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798008 NJSSZGCZRQSEOY-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1ccccc1 653849110 YNKZBXBUTOLLNC-NRFANRHFSA-N 410.260 4.997 0 1 HJAF FC(F)COC[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 963002549 BZQLBZRJTQERBP-JOCHJYFZSA-N 400.494 4.727 0 1 HJAF Cc1ccc(CC[C@]2(c3ccccc3F)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963553056 RDQWVCLXUBGIIV-BKMJKUGQSA-N 419.496 4.623 0 1 HJAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@@H](Cc2ccc(C(F)(F)F)cc2)CC1 1857554303 MRLAVLAOAGOTIA-SGNKCFNYSA-N 405.420 4.790 0 1 HJAF O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 13478308 JPZOTGNIUZTQCM-INIZCTEOSA-N 416.321 4.534 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1c(F)cccc1Cl 4296633 XWRXBQYMWMTQQZ-CTNGQTDRSA-N 418.896 4.886 0 1 HJAF CCC[C@@H](CCc1nnn[nH]1)Cc1cccc(OCc2ccc3ccccc3n2)c1 26721905 BSBGMXWCCNLNRH-SFHVURJKSA-N 401.514 4.919 0 1 HJAF CC(=O)O[C@H]1C(C)=C(CC/C(C)=C/CO)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O 29042034 QQJGTXJPLKSUKT-DZBWUNPXSA-N 406.563 4.731 0 1 HJAF CC(C)(C)C(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72101338 BMXGYLGWQNUFMB-FQEVSTJZSA-N 419.491 4.817 0 1 HJAF CCN(CC)[C@@H](c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)c1nnn[nH]1 96922037 XYHOHTHZSXSGKQ-FQEVSTJZSA-N 407.909 4.576 0 1 HJAF C[C@H](Nc1cc(-c2n[nH]c(=O)n2-c2ccc3ccccc3c2)ccn1)c1ccccc1 101387337 SSWRNLLUXXNMGJ-KRWDZBQOSA-N 407.477 4.949 0 1 HJAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccccn3)CC2)cc1)N1Cc2ccccc2C1 167108488 QYBSYBZTZJSNSZ-UHFFFAOYSA-N 424.504 4.559 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169370119 KFZWDYQMBIYWFQ-WRTKDBHFSA-N 402.623 4.769 0 1 HJAF C[C@H]1[C@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 299885840 WCZILEKOMSKCAJ-WHIZCHOSSA-N 422.548 4.905 0 1 HJAF COc1cc(-c2nccc3c2N[C@@H](c2cccc4cc[nH]c24)N3)cc(OC)c1OC 473172855 ZGZUNPNSGYAEEU-QHCPKHFHSA-N 402.454 4.792 0 1 HJAF Fc1ccc(F)c([C@H]2C[C@@H](c3cccc(Br)c3)N=C3N=NNN32)c1F 473248725 QEMTVNZVVIVARX-QWHCGFSZSA-N 410.197 4.596 0 1 HJAF CN(CC(F)(F)F)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586986971 RRHXUXBBIOEOSC-GFCCVEGCSA-N 412.411 4.503 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc(Cl)c3[nH]2)c1 587048218 GZIRXBCDZAHFPJ-VOTSOKGWSA-N 418.284 4.655 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587121460 FFTBIXKYZPNXFB-QGZVFWFLSA-N 401.348 4.709 0 1 HJAF Fc1ccc(-n2nnc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2C2CC2)cc1 587168905 RIONAOZTTBEDHE-UHFFFAOYSA-N 405.330 4.985 0 1 HJAF O=c1c(-c2nc3ccc(Br)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170959 HGHDNDWUXIOMOP-UHFFFAOYSA-N 416.225 4.920 0 1 HJAF Cc1nc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1Br 587220393 RKFAEAXZJVROCX-SFHVURJKSA-N 421.298 4.548 0 1 HJAF Cn1cc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2n1 587342467 NPWPJCDPXLURDR-UPVQGACJSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N1CCCC1)[C@@H](C2)C3=O 587413277 MJWCSXLRAJUSRT-HRAATJIYSA-N 414.299 4.547 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Cc2nc(N)sc21 587494027 HPAHSWBQQHYBQJ-OWJWWREXSA-N 420.534 4.974 0 1 HJAF CC(C)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587513915 LWCWXVXCOZAKGN-RUZDIDTESA-N 404.554 4.802 0 1 HJAF Cc1ccc(S(=O)(=O)n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531680 ISAIGBCMSAZQHM-HSZRJFAPSA-N 421.518 4.619 0 1 HJAF CCOC(OCC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598881 YSCRCRNYOJUCPJ-SQJMNOBHSA-N 420.461 4.648 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2)N1 587676253 DLNMLDWYFXZASV-ZKANADHPSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Br)N1 587678536 DCWSFEYYCIDGFX-JDNHERCYSA-N 414.116 4.543 0 1 HJAF Cc1cc(Br)cnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587684190 OTWKKBITJWCZFP-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF COc1cc2c(cc1Cl)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587695229 IXLZVNMZQAFZJM-APBUJDDRSA-N 410.714 4.974 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cccs2)N1 587720257 MCERLKMGOKZHIP-VVVCHXIZSA-N 418.278 4.652 0 1 HJAF COCCCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587798434 XUFHGCKABBSPBO-XCLFUZPHSA-N 408.311 4.627 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN3CCCC3)cs2)N1 587847318 KGXBRUWOXKZUBH-BUXKBTBVSA-N 409.368 4.869 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccc(F)c2F)c2ccc(F)cc2C[C@@H]2CCCN21 963101292 JTJLKTDVVRWFMC-SBUREZEXSA-N 403.444 4.711 0 1 HJAF O=C(O)c1cccc2c1CCN[C@]2(c1ccsc1)c1ccccc1C(F)(F)F 963131242 MQBKEGXZWLZBBY-FQEVSTJZSA-N 403.425 4.903 0 1 HJAF C[C@@H]1CN(c2cncnc2)Cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21 1772578341 INRQRAGIFFPFRI-CQSZACIVSA-N 412.415 4.871 0 1 HJAF CCc1sc2ncnc(N[C@H](C(=O)O)c3ccccc3)c2c1-c1cccc(O)c1 1857569796 MCPILVZLIYPWER-IBGZPJMESA-N 405.479 4.864 0 1 HJAF C=CC(=O)N[C@@H](/C=C/C(=O)OCC)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 1857576871 JEEAKPALVYNEKH-XTXLJPNXSA-N 418.320 4.993 0 1 HJAF O=C1c2cccc3cccc(c23)C(=O)N1CCNc1ccnc2cc(Cl)ccc12 1857588226 JDQZPORIAJRYIW-UHFFFAOYSA-N 401.853 4.750 0 1 HJAF CCc1nc2c(OCc3ccccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 61903536 MULSIGUJBVQWHQ-UHFFFAOYSA-N 415.493 4.761 0 3 HJAF Fc1cnc(Nc2cccc(-c3cnco3)c2)nc1Nc1ccc2c(c1)OCCO2 38215821 QQFFRHDULNPFOI-UHFFFAOYSA-N 405.389 4.529 0 1 HJAF FC(F)(F)c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@H]2Cn2ccnc2)cc1 40406909 GLFZIVKBXLWTMQ-IRXDYDNUSA-N 404.436 4.663 0 1 HJAF Nc1cc(-c2ccccc2)n(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)n1 72103407 JCVQRBHCGWISME-UHFFFAOYSA-N 400.360 4.734 0 1 HJAF CCCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 72125230 REFWNDCLNNSVJA-MSOLQXFVSA-N 405.498 4.543 0 1 HJAF COc1ccc2c(c1)c(-c1nsc(-c3cn(C)c4ccc(OC)cc34)n1)cn2C 72126976 QRUVBRNMCJDNKV-UHFFFAOYSA-N 404.495 4.873 0 1 HJAF Clc1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)cc1 95576539 FDLQBQUPTOLZKW-UHFFFAOYSA-N 403.461 4.910 0 1 HJAF NC(=O)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1 96168204 ZVVSRYLEVQPEIC-UHFFFAOYSA-N 421.460 4.537 0 1 HJAF COC(=O)CC(=O)OC/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 238757447 BSFKELIWSIJBDC-ALZFYXPNSA-N 408.579 4.813 0 1 HJAF COC(=O)c1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c(F)c1Nc1ccccc1 586886504 QCIYGVODHOEEQB-QLFBSQMISA-N 419.456 4.871 0 1 HJAF COc1cncc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c12 587121395 ATJRSXLUUQVJHG-UHFFFAOYSA-N 406.389 4.964 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)ncc3[nH]2)c1 587158730 GQLPIHZMFUUPEX-UHFFFAOYSA-N 408.234 4.865 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 587228713 GFTDDEVYPYYZNO-UHFFFAOYSA-N 410.262 4.965 0 1 HJAF O=C(c1cccc(SC(F)F)c1)c1c(CO)oc2cc(Br)cnc12 587276658 PUCXREOXLZMJKM-UHFFFAOYSA-N 414.227 4.628 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(C(Cl)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587332607 SVVPFSLWYVJXCH-GMAHTHKFSA-N 424.811 4.964 0 1 HJAF Cn1ccnc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372304 FIHCVDLCJYXECM-NZQKXSOJSA-N 420.465 4.629 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587475823 QCBYWQADBAQJGF-RPWUZVMVSA-N 415.530 4.860 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)CCCC3)CC2=O 587490873 SLNHOSJRAZCMEQ-VWLOTQADSA-N 408.494 4.949 0 1 HJAF O=C1CC2(CCN(CCOCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587515555 UVTJYTKPWAPAHP-UHFFFAOYSA-N 405.538 4.582 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 587529102 JCXOJQUFKISZSF-MHZLTWQESA-N 424.452 4.717 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1O 587537710 ASIPUPQVJUXQOQ-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590458 SJIYZAGFOPXMMB-CPJSRVTESA-N 412.445 4.968 0 1 HJAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 587598363 UDXWROKWADTXTF-XUZZJYLKSA-N 406.434 4.893 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Br 587611567 GJUMBKKCOLKZPB-YOEHRIQHSA-N 403.253 4.919 0 1 HJAF CCc1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656822 QPCBQEKQFADXFE-UHFFFAOYSA-N 420.415 4.623 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1 587711062 VRDJRIZYCCUAEO-ABKXIKBNSA-N 403.217 4.511 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC3CCCCC3)n2)N1 587767402 YWLSZRIHEHNIIA-XCLFUZPHSA-N 406.343 4.989 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cccs2)N1 587849548 AUCKNQZWZISUQM-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF COc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587861724 BULPSYULZDULMR-ZDUSSCGKSA-N 420.387 4.694 0 1 HJAF Clc1ccc2c(N3CCN(c4ccnc(Nc5ccccc5)n4)CC3)ccnc2c1 653891139 HYZJNMCGNAMJNM-UHFFFAOYSA-N 416.916 4.748 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccs2)c2cccc(F)c2CCN1[C@H]1CCSC1 962692464 BMDOMMJBVPAEIQ-AOMKIAJQSA-N 419.587 4.838 0 1 HJAF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2C(=O)c2cc(C)c(C)cc21 963047408 PLTRLXXLSCXSPJ-NDEPHWFRSA-N 420.512 4.842 0 1 HJAF Cn1cc([C@]2(c3c(F)cccc3F)c3c(F)cccc3C[C@H]3CCCN32)cc1C=O 963095998 DQGJKGCJZXLSRM-MZNJEOGPSA-N 410.439 4.567 0 1 HJAF Cc1c(C(=O)NN2C(=O)CS[C@@]23C[C@@H](C)CC(C)(C)C3)[nH]c2ccc(Cl)cc12 1911572681 FKOKUWYOLBKVCA-LAJNKCICSA-N 419.978 4.892 0 1 HJAF C[C@H](N)[C@H]1[C@@H]2[C@@H](C)C3=CC4=CC[C@H](N(C)C)C(C)(C)[C@@H]4CC[C@H]3C[C@@]2(C)C[C@H]1O 2356568823 PITOHOVPTPHLBW-KUEJEGSGSA-N 400.651 4.616 0 1 HJAF C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)n1nnc(-c2cccs2)n1 932071 WQAIUBFVLFEGEX-CYBMUJFWSA-N 405.508 4.792 0 3 HJAF aggregator COc1ccc([C@H]2C=CCN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1 17885493 PGTWOWLVWXUBPP-XMMPIXPASA-N 420.484 4.569 0 3 HJAF CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)c1ccco1 61929950 CMMHDEVCAAGKAT-UHFFFAOYSA-N 409.873 4.999 0 3 HJAF CCOC(=O)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1 3594941 DERYXFKTKLCVIV-UHFFFAOYSA-N 405.410 4.926 0 1 HJAF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4081075 FNEKBQHKTRYXRI-JTHBVZDNSA-N 420.896 4.757 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCOc1ccccc1 4216023 CDRCUPADFJNZPO-SFTDATJTSA-N 400.544 4.957 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@@H]3C[C@H]3CC(C)=CC(=O)[C@H]32)C1 5977664 XQNWOIOMJJWHCN-MELUEOGRSA-N 412.570 4.901 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1cc(C)c2ccc(C(=O)NCC3CCCC3)cc21 26494746 SGAGPYDWDNEDAQ-UHFFFAOYSA-N 420.509 4.625 0 1 HJAF COCCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(C)c12 28223459 HQNDEJNJOMLSHJ-SFHVURJKSA-N 403.567 4.677 0 1 HJAF Cc1cc(C(=O)Nc2cc(C(=N)N(C)C)cs2)n(-c2cc3ccccc3cc2F)n1 28235211 JZTGNBBYFWVIKI-UHFFFAOYSA-N 421.501 4.674 0 1 HJAF Fc1ccc(C[C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767810 LUVXYVCJJHKMGL-XLIONFOSSA-N 407.272 4.840 0 1 HJAF CC(C)(C)c1ccc(OCC(=O)O)c([C@@]2(c3ccccc3)C(=O)Nc3ccccc32)c1 35879049 CQNUPEAFAUUEDC-SANMLTNESA-N 415.489 4.734 0 1 HJAF COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@](c2ccsc2)(Cc2ccccc21)O3 36379200 IXXBUDDQZMBLOG-NZQKXSOJSA-N 404.443 4.771 0 1 HJAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1Cl 38853474 CERXYDAYZZMUJI-AWEZNQCLSA-N 412.964 4.503 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C 40447770 GLSZMIVCBQXSEA-LNLOLUKFSA-N 402.623 4.725 0 1 HJAF NC[C@@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 45194749 OCVNSWZOVKPWEE-QFIPXVFZSA-N 400.501 4.959 0 1 HJAF COc1ccc(CC(C)(C)N(C)C[C@@H](O)COc2cccc(Cl)c2Cl)cc1 45496994 NUSLYXWCRDSXTE-MRXNPFEDSA-N 412.357 4.695 0 1 HJAF Oc1ccc([C@@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 58503362 SVIAKBGHBKXSEH-UIOOFZCWSA-N 406.570 4.929 0 1 HJAF Oc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cc(N3CCOCC3)n2)c1 66252297 SUKYRWKUZKMFOK-UHFFFAOYSA-N 402.281 4.660 0 1 HJAF Cc1ccc(CN[C@@H](c2nc(-c3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1 72101278 MROUEBKJGYOGSH-JOCHJYFZSA-N 403.526 4.728 0 1 HJAF CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 82132711 GXOATSSJILHPJQ-UHFFFAOYSA-N 414.431 4.549 0 1 HJAF COc1cc(Oc2ccnc3cc(F)ccc23)ccc1CC(=O)Nc1noc(C)c1C 84618655 KHQIHWMLBYCIHB-UHFFFAOYSA-N 421.428 4.961 0 1 HJAF O=C(Nc1cccc(OCCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1 96285749 LLSMCIOXFIWMPV-UHFFFAOYSA-N 419.500 4.697 0 1 HJAF Cc1cccc(C)c1N1CCN(C2CCC(NC(=O)/C=C\c3ccccc3)CC2)CC1 206760316 MJBSQEIXVHICPU-WJDWOHSUSA-N 417.597 4.566 0 1 HJAF CSc1ncc2c(n1)CCN(c1cc(C(=O)Nc3ccc(C(C)C)cc3)ccn1)C2 215909972 QYXPSMNGPIZFJP-UHFFFAOYSA-N 419.554 4.532 0 1 HJAF Cc1nn(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)c1Br 586978708 CQIUSUMEOPOZFD-UHFFFAOYSA-N 411.303 4.766 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cccc(CC(=O)O)c4)c1)[C@@H](C2)C3=O 587447413 RNMOVXFYUHGGTE-LVXARBLLSA-N 414.457 4.652 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1sc(Nc4ccccc4C)nc1Cl)[C@@H](C2)C3=O 587449041 DGPJLNVONSRXTK-SCLBCKFNSA-N 412.898 5.346 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(OC)c1F)CC2=O 587467944 UZHJVKZUZUPLAR-MRXNPFEDSA-N 409.251 4.961 0 1 HJAF Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587540648 PZZQOVZHLSCZHG-XLIONFOSSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc2cnc(Cl)nc12 587620127 XOUYAJHBPNGORE-KXBFYZLASA-N 410.838 4.753 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc(F)c(F)c2)N1 587724301 GSOQMMOCRHRPKM-MLCYQJTMSA-N 400.238 4.695 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587756889 SEEYIAKBJPZHNC-FZMZJTMJSA-N 415.347 4.857 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@H]3CCC[C@@H](C)C3)CC2)N1 587772285 ZPNCHQXIXHHUII-VYDXJSESSA-N 409.387 4.992 0 1 HJAF O=C(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCc1ccccc1 587780979 ATMLFIVLXOMGQE-UHFFFAOYSA-N 413.193 4.630 0 1 HJAF CCOC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2c1 587781693 XZTGWHSQYWCLRR-UHFFFAOYSA-N 402.450 4.994 0 1 HJAF COc1ccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587812350 ZPXFANNIDFASGN-FKIZINRSSA-N 406.295 4.619 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1ccc(Cl)cc1 587873375 ZZWNKSDILZOBII-UHFFFAOYSA-N 403.910 4.707 0 1 HJAF Cc1cc(-c2cccc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)c2)ccc1O 963235829 VSPMEWUTEWKJFF-UKILVPOCSA-N 410.473 4.604 0 1 HJAF C[C@H]1c2ccccc2N(Cc2ccncc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772606243 VOBMZZKJCXGRJI-UXHICEINSA-N 400.526 4.763 0 1 HJAF Cc1c(O)nc(=O)n(COCc2ccc(C(F)(F)F)cc2)c1CC1CCCCC1 1772630152 IDJUDJBIHFVJMY-UHFFFAOYSA-N 410.436 4.573 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@]1(C)CCC[C@H]2C1=CCCC2(C)C 2356788774 CLIMBDYMVVYQHF-QHYAIYAISA-N 408.579 4.813 0 1 HJAF c1ccc(COc2ccc(-c3cc4nc(NCCCn5ccnc5)ccn4n3)cc2)cc1 61908395 XLPYHYWESJKXNW-UHFFFAOYSA-N 424.508 4.674 0 3 HJAF COc1ccc(N(C)C(=O)c2cc3cc4cc(OC)ccc4nc3s2)c(OC)c1 4900906 WVFDGZUVSDVTHA-UHFFFAOYSA-N 408.479 4.752 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c2c1C(=O)Nc1c(CC=C(C)C)ccc(O)c1[C@H]2O 6069899 FJWQQVOUWHGXSF-QHCPKHFHSA-N 423.509 4.907 0 1 HJAF biogenic C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1)C1CCCCC1 13560992 WFRORTCUDVWXHF-INIZCTEOSA-N 421.520 4.697 0 1 HJAF CN(C)c1ccccc1C[S@@](=O)c1nc(-c2ccccc2)cn1Cc1ccccc1 13746229 KMKUAXDQDSZBTM-PMERELPUSA-N 415.562 4.972 0 1 HJAF CC(C)n1cnc2c(NCc3ccccc3)nc(CC[C@](C)(O)c3ccccc3)nc21 13834605 YEOFIKDAODTCHK-VWLOTQADSA-N 415.541 4.860 0 1 HJAF O=C1[C@@H](c2ccccc2)[C@@H](c2cccnc2)N[C@@H](c2cccnc2)[C@@H]1c1ccccc1 20115612 QUBUVGOIRQLXMK-ASDGIDEWSA-N 405.501 4.999 0 1 HJAF CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 26380311 WEHSOOUZRJEYJK-UHFFFAOYSA-N 401.378 4.627 0 1 HJAF CS(=O)(=O)c1ccc(-c2nc3ccccc3c(C(=O)O)c2-c2ccccc2)cc1 45356487 QIPZVWKUJCEWTF-UHFFFAOYSA-N 403.459 4.671 0 1 HJAF C[C@@H](C(=O)N1CCCC1)c1cccc([C@@H](OC(=O)N2CCCC2)c2ccccc2)c1 53295923 CZOWUCKJJKAKGZ-XXBNENTESA-N 406.526 4.734 0 1 HJAF C1=C(c2ccc3c(c2)CN(Cc2cccn2-c2ncccn2)CCO3)Cc2ccccc21 55154204 IVDDPBSIILJIFG-UHFFFAOYSA-N 420.516 4.759 0 1 HJAF CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccccc2-c2ccccc2)c1)C(=O)O 71332747 ZZZOPDYSYWKLLT-IBGZPJMESA-N 417.505 4.946 0 1 HJAF CCCCn1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 72108219 VRGHQIRCUPCZLT-UHFFFAOYSA-N 403.837 4.589 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C 82139349 LWGSMHBSMKYWFL-SLWXAUBPSA-N 422.548 4.683 0 1 HJAF CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82186100 UAIUZOZWAGCDDM-IBGZPJMESA-N 424.568 4.650 0 1 HJAF COc1ccc(SC[C@H](O)COc2ccc(Cc3ccccc3)cc2)c(OC)c1 84729911 QZZICSPLKHDKDB-HXUWFJFHSA-N 410.535 4.827 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@H](O)C(C)(C)O3)CC2=O 96285287 FNDSFRGCKATTAY-GOTSBHOMSA-N 408.494 4.682 0 1 HJAF CC(C)(c1ccccc1)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 100619176 URMILYBKKDOLKJ-AJHAWQTOSA-N 412.537 4.933 0 1 HJAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(Br)c1O 101637125 WCROFLNXVAMUFW-PQOHOTMKSA-N 409.320 4.935 0 1 HJAF O=C(c1ccc(-c2cc3cc(Br)ccc3oc2=O)nc1)c1ccccc1O 103184156 VQCCNHUJVQLJNN-UHFFFAOYSA-N 422.234 4.554 0 1 HJAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc(Cl)cc1 103213337 DQRVCFWFOLAZPO-HXUWFJFHSA-N 401.857 4.603 0 1 HJAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccn1)c1ccc(OCC2CCC2)cc1 144888793 UGFSSCBVRGHFER-LWZKNFMGSA-N 421.585 4.771 0 1 HJAF COc1ccc([C@@]2(O)CCN3C[C@@H]4c5ccccc5CCc5cccc(c54)[C@H]3C2)cc1 169319869 KQQPQUIGNJWCSQ-STROYTFGSA-N 411.545 4.964 0 1 HJAF COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223037421 WPUHSUHTXPVKAB-RBUKOAKNSA-N 405.425 4.568 0 1 HJAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(F)cc2)c(-c2ccco2)c1 299825382 MBEGSXFUVWYKFL-UHFFFAOYSA-N 404.401 4.622 0 1 HJAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(N)c(N)cc5[nH]4)c23)cc1 587037845 JKCYAQZKGRNKQP-UHFFFAOYSA-N 418.551 5.000 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)cc2[nH]1 587042076 HLIUUPLJEQGKCX-AWEZNQCLSA-N 408.708 4.634 0 1 HJAF COc1cccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(Cl)c2)c1 587052020 JYVVFIGWZDTPNH-UHFFFAOYSA-N 405.841 4.890 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239644 MLTGZHBISKJBSM-VQDICGIKSA-N 423.916 4.910 0 1 HJAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352954 PQXNBCREAIVWLY-YBJNYKISSA-N 420.436 4.595 0 1 HJAF Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587382751 RYOVOBFANLTXFV-GOSISDBHSA-N 418.884 4.955 0 1 HJAF CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587383212 ZEDWGEJZKQLHKH-NYHFZMIOSA-N 419.880 4.516 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2 587406233 ANBWKJSSASMTHP-LMKMVOKYSA-N 421.493 4.800 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Br)cc1)[C@@H](C2)C3=O 587416655 DWCMBJRBBJLXTL-HRAATJIYSA-N 410.267 4.737 0 1 HJAF CN(C)/C=C(/c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550271 WIFAUVJFWTUITR-NVSCQINXSA-N 421.880 4.979 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552042 MMKJVRIDZPXTHZ-GCJKJVERSA-N 406.825 4.705 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COC(F)(F)F)c1ccccc1 587554772 JFZFFZSTWRWRQU-WIYYLYMNSA-N 416.351 4.786 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)nc2)N1 587766925 OYHVUZYRVRNJLO-XCLFUZPHSA-N 404.327 4.597 0 1 HJAF COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809549 UFNMXYJJAUZETH-ODXCJYRJSA-N 408.311 4.598 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587828874 AOMCCHWQCMJABU-PRWKNARSSA-N 406.295 4.633 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCc1ccccn1 587860344 UEQQHXXWZPWQQR-UHFFFAOYSA-N 421.353 4.616 0 1 HJAF O=C1Nc2cc(-n3cnc(Cl)c3)ccc2Nc2nc(Cc3ccccc3)ccc21 653709005 HRNFQPBBICTXNQ-UHFFFAOYSA-N 401.857 4.821 0 1 HJAF CCOC(=O)c1c(NC(=S)NCCc2ccccc2)sc2c1[C@@H](C)CCC2 958059133 JYOQDIIKSJIODL-AWEZNQCLSA-N 402.585 4.894 0 1 HJAF Cc1ccsc1[C@@]1(CCC(=O)O)c2cccc(F)c2CCN1[C@H]1CCSC1 962701410 KCOJSDDFYQBZIW-YCRPNKLZSA-N 405.560 4.668 0 1 HJAF COc1ccccc1-c1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218125 CBCOQRBSUBMQFN-UKILVPOCSA-N 410.473 4.599 0 1 HJAF Cc1cccc2c1[C@@H](CC[C@@H]1CCCO1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905677 ZRUUALSDZTXEDK-CEXWTWQISA-N 403.519 4.632 0 1 HJAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCc2ccccc2)cc1 774395 QMUXWOWFVJZYDD-UHFFFAOYSA-N 414.461 4.956 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN(CC)CC 4212546 JYUYWVANCJQLTK-DHIUTWEWSA-N 417.594 4.557 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 13374493 JCUWKPURUZEBFJ-SEMUBUJISA-N 412.526 4.789 0 1 HJAF in-man Cc1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 13586576 JINXBCRENWAIPY-VWLOTQADSA-N 419.613 4.871 0 1 HJAF COc1ccc2cc(C(=O)c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)[nH]c2c1 13703784 AJFDNDHEMZTZEF-UHFFFAOYSA-N 417.509 4.754 0 1 HJAF Cc1csc2nc([C@H](C)NC(=O)C=C(c3ccccc3)c3ccccc3)oc(=O)c12 27519850 OAGFVVCBRGQAJA-INIZCTEOSA-N 416.502 4.867 0 1 HJAF CCCCN(CCCC)C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 27555107 WBCZJKAHDHPSFY-HXUWFJFHSA-N 423.041 4.774 0 1 HJAF Cc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 28472211 WNMRDIRWQBOHDD-UHFFFAOYSA-N 407.521 4.841 0 1 HJAF COc1cccc(N2CCN(CCCC(=O)Nc3ccc(Cl)cc3Cl)CC2)c1 28647008 NNXFXBWZSUTGEA-UHFFFAOYSA-N 422.356 4.543 0 1 HJAF O[C@@H]1CCCN(Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)C1 45201284 IOVTWJYMWRZOAY-JOCHJYFZSA-N 401.485 4.993 0 1 HJAF CC(C)(C)c1cccc(OC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)c1 49021781 KJEOTBXAEXGDDI-UHFFFAOYSA-N 407.436 4.719 0 1 HJAF CCOc1ccccc1-c1nc(O)c2c(n1)c(-c1ccccc1)nn2-c1cccnc1 84596559 YZDJFMMOPVAWAQ-UHFFFAOYSA-N 409.449 4.649 0 1 HJAF COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)ccc1O 85629533 LTROEBZFOSNZKT-FYYLOGMGSA-N 420.546 4.947 0 1 HJAF biogenic,in-vitro COc1ccc(/C=C/C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)cc1 95596935 PUOJUOMWQKCULY-HGZMWJMZSA-N 419.525 4.662 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169370116 KFZWDYQMBIYWFQ-ZWMHXEIYSA-N 402.623 4.769 0 1 HJAF Oc1csc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)n1 169726299 XCFMBOIDCQJEKV-MRXNPFEDSA-N 400.301 4.967 0 1 HJAF COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CCCC5)cc-4[nH]c23)c1 169729117 YRGDGNDGJMQZOC-UHFFFAOYSA-N 403.482 4.816 0 1 HJAF Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2Cc1ccccc1 299870125 VWRULWWGFWWIBL-UHFFFAOYSA-N 402.310 4.915 0 1 HJAF Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2CCC(F)(F)F 299871923 ZLZMWDUZDPEBLT-UHFFFAOYSA-N 408.236 4.819 0 1 HJAF Ic1ccc(OCCOc2ccc(-n3cccc3)cc2)cc1 473136148 NJIUEVYKBDORSJ-UHFFFAOYSA-N 405.235 4.540 0 1 HJAF O=C(O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017988 SIVQIBYUZZRHBO-UHFFFAOYSA-N 420.313 4.799 0 1 HJAF COc1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2cc1OC 587138438 ISSRXRWKXXVMRV-UHFFFAOYSA-N 410.376 4.891 0 1 HJAF CCCOc1cc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2cc1Br 587238675 FWTVUELXWDSMQR-UHFFFAOYSA-N 403.280 4.580 0 1 HJAF COc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2cc1C 587241145 VLMRWNFGHPWQEV-UHFFFAOYSA-N 401.466 4.742 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(I)c1)O2 587387490 SIISGHMOLDTGMV-OAHLLOKOSA-N 413.642 4.542 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](c2ccccc2)CC[C@H]1C(=O)OCC 587480705 OWVRWQGEFHRCST-RLSLOFABSA-N 408.494 4.806 0 1 HJAF O=C1C[C@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587503617 HYKIDQBJTYLKNO-HXUWFJFHSA-N 409.240 4.957 0 1 HJAF CC(C)(C)OC(=O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574518 BLQNWIWMAZOLGL-GHTZIAJQSA-N 407.422 4.680 0 1 HJAF Nc1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577262 RMBQHDCXOPJXRI-BVAGGSTKSA-N 407.425 4.860 0 1 HJAF Cc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 587589485 WZRCJTWXAMRQNP-XUZZJYLKSA-N 410.429 4.861 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1 587739485 HHXLBDQOAAUFRD-HXPMCKFVSA-N 415.347 4.595 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCN(C)C)cc2)N1 587741526 OCXDSOCAOMOWKG-LHSJRXKWSA-N 421.354 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cccc(N)c12 587748711 XWQFFGCRKYOCMT-VERVWZFWSA-N 409.302 4.977 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1 587763724 LQXUJMCWQSCNSA-BXJCWQANSA-N 406.343 4.946 0 1 HJAF COc1ccc(C=O)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587785770 CCKFMTLNMNRNMG-UHFFFAOYSA-N 415.165 4.712 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793743 KUWURNHPIRSLIO-YUNKPMOVSA-N 400.295 4.910 0 1 HJAF CCc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(Br)c1 587872538 MLLSXDRIKYOPER-UHFFFAOYSA-N 417.234 4.839 0 1 HJAF COc1cc([C@]2(C[C@@H](C)CC(=O)O)NCCc3c(OC)ccc(Cl)c32)ccc1C 963271212 STGYIPPYEUYWTQ-PSLXWICFSA-N 417.933 4.556 0 1 HJAF CCOC(C)(C)CCc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1)CC2=O 1642676543 KWBHDTWRGKIAFV-IBGZPJMESA-N 400.471 4.561 0 1 HJAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cccc(F)c3)cc2NC(=N)C1 1772585601 BQRXEDMQXZKDBN-UHFFFAOYSA-N 422.504 4.903 0 1 HJAF CCCCc1cc2c(=O)c(C(=O)OCC)c[nH]c2cc1OCCOc1ccccc1 1857578188 NMFQNXXDOSVUAE-UHFFFAOYSA-N 409.482 4.505 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 2356436084 AANKDJLVHZQCFG-NGXURMSSSA-N 413.646 4.626 0 1 HJAF CCC[C@H](CC(=O)OC)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](C)[C@H](C)C2=O 2356566875 YDWPHDXVXDIEMH-MELADBBJSA-N 402.487 4.623 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214658 DXANDXDXHKOUAG-PMXSJFBMSA-N 424.944 4.913 0 1 HJAF O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1 6744023 QSXWMSOERGLVDJ-KRWDZBQOSA-N 421.396 4.869 0 1 HJAF Fc1ccc(-n2cc(C3CCN(CCN4CCN=C4S)CC3)c3ccccc32)cc1 13489967 UDRWVFGKMDCPTL-UHFFFAOYSA-N 422.573 4.550 0 1 HJAF O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F 13533126 GTBUYLWBDILEPY-UHFFFAOYSA-N 404.845 4.707 0 1 HJAF CCCc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 13779645 BHGFOJKWEXFBRE-UHFFFAOYSA-N 405.586 4.587 0 1 HJAF C[C@H](C(=O)CN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1 26181656 USIACVWKSQEQGG-UPKQVVFYSA-N 423.463 4.635 0 1 HJAF COCCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nccc(C)c12 28223464 HQNDEJNJOMLSHJ-GOSISDBHSA-N 403.567 4.677 0 1 HJAF C[C@@H]([C@H](O)c1ccc(O)c(-c2ccccc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952056 GOVLPBZWZKQMJJ-BVZFJXPGSA-N 421.512 4.604 0 1 HJAF CCc1nc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 29467558 YXOFHDKVTPPXQP-UHFFFAOYSA-N 407.481 4.651 0 1 HJAF COc1ccc2[nH]cc(Cc3nc4c5c(ccc4c(C(=O)O)c3O)CCCC5)c2c1 35087069 AHGZRJLFUNJDEU-UHFFFAOYSA-N 402.450 4.598 0 1 HJAF CN1CCC(N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)CC1 40934041 ZQSDLUMGBYOLJF-QHCPKHFHSA-N 411.496 4.551 0 1 HJAF CC[C@@H](C)C(=O)c1c(O)cc2oc3c(C(=O)[C@H](C)CC)c(O)cc(O)c3c2c1O 49088905 FOVPRACMJLBLEN-NXEZZACHSA-N 400.427 4.866 0 1 HJAF COc1cc(OC)cc(Oc2c(Cl)cnn(-c3ccc(C(C)C)cc3)c2=O)c1 66123687 DDYKWFUEVAUBMW-UHFFFAOYSA-N 400.862 4.819 0 1 HJAF N=C(N)Nc1ccccc1SCc1cc(Br)cc(Br)c1 71340830 HTNQSBFDBUGAGB-UHFFFAOYSA-N 415.154 4.809 0 1 HJAF CCCCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 84596575 OZKYJXVGYVAJEJ-UHFFFAOYSA-N 406.502 4.829 0 1 HJAF O=C(CCc1cccc2ccccc12)c1cccc(OC[C@H](O)CN2CCCCC2)c1 96941828 OXCWCZLHAHWZQK-XMMPIXPASA-N 417.549 4.881 0 1 HJAF CC(C)(C)c1nnc(NC(=O)c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)s1 101501605 CZEBNDIELFMIND-OKILXGFUSA-N 401.532 4.836 0 1 HJAF Cc1cncc(-c2cnc3[nH]c(-c4cc(NC(=O)N5CCCC5)ccc4F)nc3c2)c1 103270899 SJBDTTMIKQCBRZ-UHFFFAOYSA-N 416.460 4.762 0 1 HJAF Cc1c(-c2ccc(C3=NC[C@H](C)N3)cc2)oc(-c2ccc(C3=NC[C@H](C)N3)cc2)c1C 196125420 UJRYNEXZTBHPEO-HOTGVXAUSA-N 412.537 4.707 0 1 HJAF Cc1ccc(OCC(C)C)c(-c2cccc([C@@H]3CC[C@]4(CCN(C)C4=O)N3)c2F)c1 205895411 DWDZLPOFUIIPFC-SQJMNOBHSA-N 410.533 4.861 0 1 HJAF CO/C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCC(C)(C)CN(C)C 206841882 QPEFHPVNVXEUSM-HOWRVZNXSA-N 424.372 4.722 0 1 HJAF O=c1oc2ccc(-c3cnc4ccccc4c3)cc2c2c1[nH]c(=O)n2-c1ccccc1 210273317 LVSBOXRWFDUGKX-UHFFFAOYSA-N 405.413 4.640 0 1 HJAF COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1F 220998281 OFZBNADUYSHVNR-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255243893 NEMWYOKGHGSVSC-XNYLIHRPSA-N 415.662 4.563 0 1 HJAF O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 586886482 PZAPVYREECLLNJ-CYBMUJFWSA-N 417.918 4.634 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)nc3O)nc3ccc(O)c1c23 586985730 FOSIWGZMCPZOIK-UHFFFAOYSA-N 408.335 4.938 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587033369 GUVFAOBLTLQMGZ-KRWDZBQOSA-N 420.538 4.751 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ncc2c(Cl)nccn12 587104212 QEAQMMNIKVKXSS-OAHLLOKOSA-N 408.848 4.830 0 1 HJAF C[C@@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331749 FKJGLUYSGNSXNZ-FDDCHVKYSA-N 404.397 4.529 0 1 HJAF C[C@@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345062 IIBIERAIGKBTKI-UPVQGACJSA-N 403.409 4.993 0 1 HJAF COC(=O)c1coc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347898 CCYBCYNVDCCZMB-GBXCKJPGSA-N 422.408 4.502 0 1 HJAF COc1ccccc1Nc1nc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587414355 UIJVREZDPUIXDZ-INIZCTEOSA-N 415.902 5.146 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1OC)CC2=O 587456970 CSJFEANOONGGBO-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1C(F)(F)F 587545682 HDJVTECIKCUDGT-PXNSSMCTSA-N 402.324 4.820 0 1 HJAF C[C@@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572672 TZZJJGSCEQMLCK-URXFXBBRSA-N 416.408 4.594 0 1 HJAF CCOc1c(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587595931 LZRPZVRVBBHJRH-OFNKIYASSA-N 422.433 4.511 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccc2)n1C1CC1 587661957 UYHPRTIGGRNKBU-UHFFFAOYSA-N 423.451 4.785 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1 587723831 CJZLPUYZPXLPEN-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF CCC(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587741124 GASJEGRAZAQKBI-ODXCJYRJSA-N 405.311 4.734 0 1 HJAF CCCn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753757 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CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OCC 4206753 BNMXBFDLCRUYBO-CTNGQTDRSA-N 400.906 4.747 0 1 HJAF COc1ccc(C(C(=O)NCCCN2[C@@H](C)CCC[C@@H]2C)c2ccc(OC)cc2)cc1 13733981 ZZHWBLLFKUKZAZ-PMACEKPBSA-N 424.585 4.605 0 1 HJAF O=c1ncn2nc(Sc3ccccc3O)ccc2c1-c1c(Cl)cccc1Cl 13864349 WYGPCAVWWUKTAF-UHFFFAOYSA-N 416.289 4.920 0 1 HJAF O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 20201675 FYGGGUWTSLHUGX-QFIPXVFZSA-N 410.989 4.942 0 1 HJAF Cc1c(S(=O)(=O)Nc2cccc3c2ccn3CCN)sc2ccc(Cl)cc12 28468214 WXDATFVXDJCMEB-UHFFFAOYSA-N 419.959 4.577 0 1 HJAF Fc1ccccc1-[n+]1nc(-c2ccc(OCc3ccccc3)cc2)nn1-c1ccccc1 29130791 OHRJEYJQHIAPLA-UHFFFAOYSA-N 423.471 4.929 0 1 HJAF Cc1ccc(CNC(=O)[C@H](CC(C)C)Nc2cc(C)nc(Nc3ccccc3)n2)cc1 45188481 QAWCXOHDZFBTJX-QFIPXVFZSA-N 417.557 4.980 0 1 HJAF CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CNCCOc3ccccc3)cc2)c1 53166381 RKYFVRHGQXXVSB-HXUWFJFHSA-N 417.553 4.693 0 1 HJAF Cc1cccc([C@@H](NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)c1C 71333083 MIVLRLAUTVRYHU-HSZRJFAPSA-N 402.494 4.736 0 1 HJAF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 71789539 CDPPCSWDRYRENO-XMMPIXPASA-N 415.489 4.700 0 1 HJAF COc1cc(CNCc2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc(OC)c1 72102059 YRAYZLZDHDEAHU-UHFFFAOYSA-N 408.376 4.547 0 1 HJAF CCN(CC)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 82067097 BOPQPQWGBVHTLG-KRWDZBQOSA-N 407.518 4.734 0 1 HJAF CC(=O)Oc1ccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 169317234 ODOBSFOELNXJMT-AREMUKBSSA-N 406.570 4.846 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 587032191 QFRYAYRMHGTXBI-UHFFFAOYSA-N 404.923 4.941 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1 587125326 RSFRUVAOJAIOHY-LHLIQPBNSA-N 418.192 4.636 0 1 HJAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587259259 HZJSUSFXRAAJLN-HNNXBMFYSA-N 407.301 4.576 0 1 HJAF O=C(c1c(CO)oc2cc(Br)cnc12)C1(c2ccccc2)CCCC1 587274099 SNPJLMRCAXMUJA-UHFFFAOYSA-N 400.272 4.777 0 1 HJAF CC(C)n1ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343438 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4.957 0 1 HJAF COc1ccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)sc2c1 587854142 BOEMDANTLRUGKW-XLFHBGCDSA-N 407.308 4.830 0 1 HJAF CCN(c1ccc(-c2csc(Cc3cc(C)ccc3C)n2)cc1)S(C)(=O)=O 587923576 XSMVISOKVADYEZ-UHFFFAOYSA-N 400.569 4.804 0 1 HJAF COc1ccccc1-c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O 587942096 ZANRNZPSXCZHAN-UHFFFAOYSA-N 411.255 4.875 0 1 HJAF CCOC(=O)[C@@]1(c2ccccc2CC)c2cccc(F)c2CCN1[C@@H]1CCSC1 962697690 HQIZDAWSPCMLAX-HOYKHHGWSA-N 413.558 4.558 0 1 HJAF CC(C)c1nn(C)c2c1[C@H](c1c[nH]c3ccc(OCc4ccccc4)cc13)NCC2 962914309 FAPXHGWFZHOLRF-VWLOTQADSA-N 400.526 4.839 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c(Cl)ccc(F)c2Cl)N1 962977361 OWLQEIZQSUFZME-BONVTDFDSA-N 410.606 4.752 0 1 HJAF Cc1sc2c(c1C)CCN[C@]21CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 963015272 WSEGWVCXWCLOPO-KSSFIOAISA-N 404.498 4.668 0 1 HJAF O=C(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCOCC1 1857654787 MKLMHSIBBQEIFL-UHFFFAOYSA-N 417.896 4.794 0 1 HJAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCNCCCCNCCCN 1911581799 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COc1ccc([C@H](c2ccccc2)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587934161 BNLXJWYQFQTXFD-DEOSSOPVSA-N 424.504 4.507 0 1 HJAF COc1ccc(O[C@@H](C)[C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1 961614901 NWECVCNTINOBCF-XOBRGWDASA-N 402.332 4.819 0 1 HJAF Cc1ccc([C@]2(CCc3cccc(F)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962901787 SBODEMWSAMABMU-ZCYQVOJMSA-N 407.460 4.749 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@]2(C)NCCc3c2c(C(C)C)nn3C)cc1F 962911050 OFBGVTIMOTYTPT-VWLOTQADSA-N 421.516 4.545 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@](Cc3ccccc3Cl)([C@@H]3CCCS3)c3cccc1c32 963018893 FIYNTDCPMVEZKJ-CGYQNGNCSA-N 412.986 4.727 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(CC(C)(C)CC(=O)O)c1ccc(C)cc1 963054673 IUYZLTFRSUIWTJ-SANMLTNESA-N 418.537 4.832 0 1 HJAF c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 1857614574 MPFRLKLVOGUERN-AHWVRZQESA-N 403.522 4.619 0 1 HJAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(C[C@@H]3CCCc4ccccc43)cn2)c1 1857774857 GZSKYQYFMMZVFA-INIZCTEOSA-N 424.430 4.869 0 1 HJAF Cc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c(C(=O)O)c1 701962 ICERHMNRCMONOI-UHFFFAOYSA-N 404.900 4.688 0 3 HJAF O=c1[nH]c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1cc(Cl)ccc1O 13587049 BTIBUAQSOJYXGU-UHFFFAOYSA-N 423.700 4.624 0 1 HJAF CCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 13650953 QGOLOCAMUGDALX-QGZVFWFLSA-N 405.450 4.869 0 1 HJAF O=C(/C=C/c1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672428 CUYUZKURRNVXNJ-DHZHZOJOSA-N 415.840 4.843 0 1 HJAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1Cl 28385255 FXCDZFFINLNOKB-UHFFFAOYSA-N 409.841 4.608 0 1 HJAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1cccc(Cl)c1)CC2 28566963 BBZODMYGPMHQCJ-GOTSBHOMSA-N 423.988 4.795 0 1 HJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(O[C@H](C)C(F)(F)F)nncc2c1 40430376 XANMCBRIKIVXBI-CYBMUJFWSA-N 415.415 4.827 0 1 HJAF Cc1cc(-c2nncn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43078554 NIPFZAQPVYPKMJ-UHFFFAOYSA-N 400.269 4.620 0 1 HJAF COc1cc2c3c(c1OCC1CCCC1)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72117144 GPVQADYWJXCXQW-LJQANCHMSA-N 407.510 4.745 0 1 HJAF CCOc1ccc(-n2c(C(N)=O)nc3cc(NCc4ccc(CC)cc4)ccc32)cc1 95594261 YMQDIPBWGURVRJ-UHFFFAOYSA-N 414.509 4.698 0 1 HJAF CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3oc(-c4ccc(Cl)cc4)nc13)C2 101372606 GGTVJORIYQKWBH-QZTJIDSGSA-N 409.917 4.893 0 1 HJAF O=C(Nc1ccccc1)C1=CC[C@@]23CCN(CC4CC4)C[C@@]2(C1)Cc1ccc(O)cc13 101504004 ZPUNRBOAUGQHGN-SVBPBHIXSA-N 414.549 4.647 0 1 HJAF Cc1nn(C)cc1-c1nc2c(Oc3ccc(C(=O)Nc4ccccc4)cc3)ccnc2[nH]1 103275401 GHUCLWIVBWSXOR-UHFFFAOYSA-N 424.464 4.711 0 1 HJAF O=C(O)c1ccc(S(=O)(=O)N(CC2CC2)c2sc3ccccc3c2Cl)cc1 115230533 AOWAJMPJCNQZEJ-UHFFFAOYSA-N 421.927 4.858 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3cc(F)ccc3C)cc2)c2ccccc2n1 141958382 BLIPVTAQTZWZFJ-UHFFFAOYSA-N 415.472 4.983 0 1 HJAF CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1 146905629 LVHNIEBAXNIGRG-UHFFFAOYSA-N 403.570 4.693 0 1 HJAF COCO[C@H]1C[C@@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169349928 LHSZBYIVFZJSTN-VUBDRERZSA-N 401.934 4.670 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169358930 RYPMTHMHTXUIIA-WRTKDBHFSA-N 400.607 4.545 0 1 HJAF CN1CCN(c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)CC1 586988626 TZEFAALXBUKEFM-UHFFFAOYSA-N 421.500 4.571 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)cnc3[nH]1)N2 587032605 UXFRRWBZONQSKK-DKBJHAQFSA-N 405.936 4.738 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073361 GXLTUNOJQFXPCD-UHFFFAOYSA-N 417.962 4.569 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)c(F)cc2[nH]1 587109822 VUBVMDGAKYNELO-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF CN(C)/C=C/[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339086 RETRNJQZCWAZEE-DMVBBDTGSA-N 403.453 4.861 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 587340878 USBVTNDPLJJTPC-RCZVLFRGSA-N 412.420 4.624 0 1 HJAF CN(C)Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587378096 UJNUVFODZCIMLO-GMAHTHKFSA-N 411.498 4.929 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cc(F)cc(C(=O)O)c3)c1)O2 587384443 DGBPHKMQDRTGCI-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4cccc(C(=O)O)c4)cc1)[C@@H](C2)C3=O 587452449 UUCHHWMMRPQHGP-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF COc1c(F)cc(F)cc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559868 ZXFGVWSVDGNOMP-AZUAARDMSA-N 412.388 4.642 0 1 HJAF COC(=O)CC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596110 USNFPAYLHJQYDQ-DHLKQENFSA-N 418.445 4.511 0 1 HJAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br 587683317 OKSGJXHMZUXBLR-ZKANADHPSA-N 416.132 4.785 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587832597 ZKUVBAOXWYYVKV-RNODOKPDSA-N 406.295 4.539 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cccs2)N1 587852465 LEYYXNXXHCHITP-BTDLBPIBSA-N 406.324 4.674 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSCc1ccccc1 587870228 YTJMGJYNWFYORO-UHFFFAOYSA-N 407.417 4.546 0 1 HJAF Cc1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 587941359 TWVKEZFHFCWYQJ-UHFFFAOYSA-N 424.092 4.784 0 1 HJAF Ic1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951671 XTJVXPJZJYAOAT-UHFFFAOYSA-N 408.283 4.653 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(c1sc3nc(C)cc(C)c3c1N)N(C)[C@H](C)C2 962635961 VJWLFENJGPSZCT-FATZIPQQSA-N 411.571 4.652 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21CCCc2ccc(Cl)nc21 962964279 ZVZNPAWMBVCJKG-NRFANRHFSA-N 422.878 4.985 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@](CCc3ccccc3)(c3ccccc3F)c3cccc1c32 963038735 YBKBTQCFZWAEGZ-BCHFMIIMSA-N 400.497 4.755 0 1 HJAF COc1cc([C@@]2(C[C@@H](C)CC(=O)O)NCCc3c(OC)ccc(Cl)c32)ccc1C 963271211 STGYIPPYEUYWTQ-LFVRLGFBSA-N 417.933 4.556 0 1 HJAF COc1ccc(-c2c(Nc3ccc4c(c3)OCO4)c3ccc(O)cc3oc2=O)cc1 1772629030 WXLYXOPIKBQLCL-UHFFFAOYSA-N 403.390 4.647 0 1 HJAF c1ccc(CN2CCc3nc(=NCc4cccc(Oc5ccccc5)c4)[nH]cc3C2)cc1 1857595577 KSJXHMGQGCRDKK-UHFFFAOYSA-N 422.532 4.861 0 1 HJAF CO[C@@H]1O[C@]2(OC)C=C[C@H](C)[C@@H]2[C@@H]2[C@H](C(C)=CCC=C(C)C)C[C@H](OC(C)=O)[C@H]12 2356440045 LFEUVENANNYFTC-OWZCHNGLSA-N 404.547 4.641 0 1 HJAF CCCc1nc2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13824641 NZQIEKNCIJICCT-UHFFFAOYSA-N 409.497 4.588 0 1 HJAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2[S@@](=O)Cc1ccccc1 27982702 UUSTTWYOIMQPSQ-NKHUQRLESA-N 422.590 4.791 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Nc3cccc(Cl)c3F)c1NC2 38149527 ZLHZFUUZIUVWJO-UHFFFAOYSA-N 402.813 4.748 0 1 HJAF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O 49844743 MGPRWPRKOWIGJM-PBQZTSCYSA-N 409.791 4.882 0 1 HJAF CN(C)c1ccc([C@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)cc1 82078045 HEODHUUWMQVVFZ-HNNXBMFYSA-N 412.412 4.587 0 1 HJAF CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82132608 GHOOKFOMSPEBSU-UHFFFAOYSA-N 406.505 4.665 0 1 HJAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3)n2)C1 82132631 HIYIGSRLCGHIJO-OALUTQOASA-N 406.574 4.936 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)o1 82214642 HKJUWYWOQHVFAT-KKSFZXQISA-N 404.514 4.966 0 1 HJAF COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@H]1OC 95573262 DYEWCGCBKFBFLD-FUPPJEDESA-N 410.466 4.513 0 1 HJAF c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)csc2c1 96270782 WWJXFRWWRLRVCD-UHFFFAOYSA-N 411.534 4.688 0 1 HJAF CC(C)(C)OC(=O)NCCCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 169327096 TUZNGRNEPJAFOL-UHFFFAOYSA-N 410.986 4.709 0 1 HJAF CCCc1[nH]c(=O)c(Cc2cnc3ccc(OC)cc3c2)c2cc(OC)c(OC)cc12 169703385 CJVDWJPLBJARQN-UHFFFAOYSA-N 418.493 4.645 0 1 HJAF COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@@H]1[C@H]2NC(=O)C(F)(F)F 195421602 RSUCTBRHQBMPJI-BUVFEPMLSA-N 419.443 4.913 0 1 HJAF CCCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 238781239 XNLPJXSZRVLTGM-MGPQQGTHSA-N 402.487 4.925 0 1 HJAF Cc1cc(Oc2ncc(Cl)c(C)c2Cl)ccc1-c1c(C)c(O)nc(=O)n1C 261166918 SBKLJYKVOHAJQU-UHFFFAOYSA-N 406.269 4.572 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 586917774 UXRFOPVQASXUKZ-CWTRNNRKSA-N 403.251 4.681 0 1 HJAF Cc1c(Br)ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587073605 KEAGRFRCVFIKEF-UHFFFAOYSA-N 416.710 4.902 0 1 HJAF CC(C)[C@@H](c1nc2cc(Br)ncc2[nH]1)N(C)C(=O)OCc1ccccc1 587198133 UKVRFDNNIAYKGY-KRWDZBQOSA-N 417.307 4.686 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4c(cc32)OCCO4)[C@@H]1c1ccc(F)cc1 587355651 FNCMMFQEKHIDBJ-ILBGXUMGSA-N 418.420 4.503 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OC(F)(F)F)O2 587381525 GMWMHANCCITMGS-AWEZNQCLSA-N 416.193 4.945 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1Br)CC2=O 587455815 GNGNXLXOAQNJMU-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2ccccc21 587485880 KLMDULYCZVDTOB-OZXSUGGESA-N 414.457 4.908 0 1 HJAF O=C(Cc1ccccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654213 PWZXPEJBOPRMMM-UHFFFAOYSA-N 410.807 4.878 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2)N1 587676251 DLNMLDWYFXZASV-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c3ncccc23)N1 587779437 SISBGMGEQUXBDL-PRWKNARSSA-N 401.279 4.640 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800679 YGCLKCVVCMCOLW-RNODOKPDSA-N 412.343 4.851 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1 587853584 AIQXGHYQVFAARX-SBKAZYGRSA-N 421.379 4.908 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccnc3)s2)N1 587857308 ZOZBOALWPCWCGX-BMLIUANNSA-N 404.308 4.730 0 1 HJAF CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@]1(C)NCCc2c1sc(C)c2C 963033033 WPBVHPCGYZKCON-IERDGZPVSA-N 409.954 4.940 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc(F)c(C(F)(F)F)c1F 963051540 YYMLJMCMGUFPKX-HXUWFJFHSA-N 408.370 4.950 0 1 HJAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2c1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 963728714 IFDJNJAYINXMHK-IBGZPJMESA-N 409.555 4.699 0 1 HJAF Cc1c(C(=O)O)sc2nc(CCc3ccccc3)nc(NCCc3ccncc3)c12 1772654103 VMBISRVLRUIFIC-UHFFFAOYSA-N 418.522 4.533 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@]21C 2356534818 JXAWKPXWXJLUMA-OSSQUUFRSA-N 416.558 4.795 0 1 HJAF O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1 3956261 HQRQQZHOWZGRCD-UHFFFAOYSA-N 411.477 4.735 0 1 HJAF CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 7004006 ZDNGNMFELHFCKI-UHFFFAOYSA-N 400.482 4.997 0 1 HJAF Cc1cccc(C)c1N1CCN(CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 13473694 MXCOLZHACUEKRL-MHZLTWQESA-N 417.597 4.822 0 1 HJAF CCC[C@@H](CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 13745819 QHVFFMKWJFTXAY-QFIPXVFZSA-N 404.558 4.952 0 1 HJAF COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCCC2)cc1 13761531 SXEVCCXWQGAXSQ-RUZDIDTESA-N 422.477 4.550 0 1 HJAF CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(N(C)C)cc3Cl)ccnc21 13976054 JKBSIXLJINISOR-SFHVURJKSA-N 414.912 4.987 0 1 HJAF COc1ccc2c(c1)C1=N[C@@H](CC(C)=O)[C@H](CC(C)=O)c3c([nH]c4ccccc34)C1=N2 14515674 RQZOWBVRFRUUKC-UWJYYQICSA-N 413.477 4.524 0 1 HJAF biogenic Clc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28768726 PKVCETMNSYTMNH-OALUTQOASA-N 419.706 4.940 0 1 HJAF Clc1ccccc1[C@H]1CO[C@@](Cn2ccnc2)(c2ccc(Br)cc2)O1 28768766 FJJPPVXKHLHLHP-RTBURBONSA-N 419.706 4.940 0 1 HJAF CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 36093193 ZVUBOJJCNXGQFS-MYDTUXCISA-N 412.574 4.869 0 1 HJAF O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc3ccsc23)cc1 38268338 UOYAJZYQQYKEKV-UHFFFAOYSA-N 403.463 4.979 0 1 HJAF COc1ccc(Nc2ncccc2C(=O)Nc2nc3ccc(OC)cc3s2)cc1 82152788 FDDWEXPXLBPNLR-UHFFFAOYSA-N 406.467 4.704 0 1 HJAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@H]1CCCN1C 82186686 VFTMAPUFVCDQFI-OAQYLSRUSA-N 420.605 4.698 0 1 HJAF N[C@@H](COc1cc(/C=C\c2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 84581987 AQDWLHMFJHACCX-SFFCAUCYSA-N 404.901 4.731 0 1 HJAF COc1cc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc(OC)c1 167280670 URTTZQAWJUKLDZ-UHFFFAOYSA-N 417.465 4.504 0 1 HJAF CC(C)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709469 ARNZJDFOEUZDOY-YJBOKZPZSA-N 421.463 4.591 0 1 HJAF CN1C/C=C\CCOc2cccc(c2)-c2nc(nc3nc[nH]c23)Nc2cccc(c2)C1 169725712 IADKHXRZAFUCSV-IHWYPQMZSA-N 412.497 4.534 0 1 HJAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(F)cc3Cl)cccc2c1 206116632 VPOHBVFVOWJLFM-UHFFFAOYSA-N 419.890 4.952 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]12C 299811406 NVBZLUSKXDCJBQ-SWMVRZONSA-N 402.623 4.580 0 1 HJAF O[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1Cl 587058999 KRZUJQHZTDXILC-CYBMUJFWSA-N 416.500 4.823 0 1 HJAF Nc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1 587064520 UVWGDJGGGOTIJF-UHFFFAOYSA-N 403.873 4.894 0 1 HJAF Fc1cc(Br)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587142658 JRVQOJQLCJNTJT-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c(F)c2)c1 587147064 DLCNBZAYAYIHFZ-UHFFFAOYSA-N 402.385 4.619 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2cncnc2)[C@H]1c1ccc(F)cc1 587345650 JGDZYFJDDDPVSQ-SFLYRZDNSA-N 404.441 4.777 0 1 HJAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352152 LZFLINYCQVUSSI-UTLPAIKMSA-N 410.441 4.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)O2 587377459 INGAAQSERQAFEC-QHCPKHFHSA-N 407.853 4.838 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(COc3ccc(Cl)cc3)n1)O2 587411901 GCZJHTYDKRNAQH-GOSISDBHSA-N 400.887 4.973 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(=O)n(Cc3ccccc3)c1)CC2=O 587462739 RTKWZBLZYDPWKX-QFIPXVFZSA-N 423.896 4.915 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cc(C=O)n(C)c1)(c1ccccc1F)CC2=O 587465134 BDVBWWONUDFWPU-DEOSSOPVSA-N 407.441 4.544 0 1 HJAF O=C1C[C@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587517847 WFTPVQXWCXKSBK-WMZHIEFXSA-N 405.494 4.558 0 1 HJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncc1Br 587544369 KKFXXIOQHFCLFD-YLJYHZDGSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1F 587554520 DOUKZFFXDWXGOU-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF COC(=O)CCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587559580 LAYYQQHSSOALQW-UHFFFAOYSA-N 423.513 4.939 0 1 HJAF Cc1ccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587659811 DMDWBMQZPBEBIT-UHFFFAOYSA-N 401.441 4.572 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3F)c2)N1 587729459 VOIGXYFYUNWGAU-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N)cc12 587746116 LJEAITWPBUJKFT-YTEVENLXSA-N 409.302 4.977 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ncccn3)c2)N1 587775955 VGAAVOUWSWBMGL-BUXKBTBVSA-N 414.278 4.794 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789831 DPNRCCQJQQHSAW-QKKBWIMNSA-N 422.338 4.765 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829811 CMCVBEOUWJHCND-PRWKNARSSA-N 406.295 4.633 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC)cc1OC 587863903 DOYXGUGYVVVOSX-UHFFFAOYSA-N 420.387 4.673 0 1 HJAF Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1 618011829 ZRQQPCGVSUUKTM-UHFFFAOYSA-N 420.576 4.935 0 1 HJAF Nc1ccc2[nH]c3c(c2c1)CCC[C@]31NC2(CC2)Cc2ccc(Br)cc21 961611756 CYZDKNYZVSXDIE-JOCHJYFZSA-N 408.343 4.771 0 1 HJAF COC(=O)c1ccc([C@@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)s1 962633718 GLLNEMRIGGZYSI-NBGIEHNGSA-N 418.562 4.545 0 1 HJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccnc(Br)c1F 962719248 YOQJFQYTAOGCEA-DIFFPNOSSA-N 411.315 4.575 0 1 HJAF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc(OC)cc2)c2c(n[nH]c2C)O3)cc1 1772613324 RUYIAVDPWQQYLT-IBGZPJMESA-N 415.453 4.555 0 1 HJAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3c(cccc3C(F)(F)F)C2)cc1 1772616903 IDQMKMDRELUJBL-HNNXBMFYSA-N 402.460 4.851 0 1 HJAF O=C(N[C@@H]1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1)c1ccc(Cl)cc1 1772634737 UOERBZYAXXXTRT-HXUWFJFHSA-N 408.885 4.635 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCC 4213780 NKPHOSILLFLLCD-WOJBJXKFSA-N 420.550 4.643 0 1 HJAF O=S1(=O)N=C(SCc2c[nH]c3ccccc23)N(c2ccccc2)c2ccncc21 5983995 HAGXGKWEYKUALG-UHFFFAOYSA-N 420.519 4.693 0 1 HJAF C[C@]12CC[C@@](O)(C(Cl)(Cl)Cl)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 6200169 PRKJWXBURFOVQU-GKYJOENFSA-N 421.792 4.879 0 1 HJAF biogenic Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCN4CCCC4)ccc23)c(C)c1 6748864 QATKGPSYYCIRHE-UHFFFAOYSA-N 418.566 4.658 0 1 HJAF C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1S(=O)(=O)c1ccc(Cl)cc1 28470859 OVNWHRHFWJKTER-JTQLQIEISA-N 403.718 4.834 0 1 HJAF Cn1c2c(c3cc(O)ccc31)[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)CCC2 29040490 UMHVOYZISKMPIT-AWEZNQCLSA-N 418.415 4.632 0 1 HJAF C[C@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 43017914 NQRHXZAMLYPCPZ-LBPRGKRZSA-N 401.253 4.501 0 1 HJAF COc1ccc2nc(Nn3c(-c4ccc(C)cc4)nnc3-c3cccnc3)sc2c1 64479824 NYDLBNKZQQYIOF-UHFFFAOYSA-N 414.494 4.809 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCc4ccccc4)cc3O2)cc1OC 95563399 FGHMKMCSHHYQFB-NRFANRHFSA-N 406.434 4.695 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCc2cccs2)C[C@H]1C 253695502 ZUTDWEZJQLTNOA-UYAOXDASSA-N 424.566 4.950 0 1 HJAF CCCCCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br 586960108 SGSLORFJEGEJLS-UHFFFAOYSA-N 415.353 4.991 0 1 HJAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997491 SBQCQXGYBQEFAY-LVMNNEOYSA-N 424.500 4.745 0 1 HJAF FC(F)(F)c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(Br)cn1 587115117 OGRVQXMRBJWKRF-UHFFFAOYSA-N 411.103 4.820 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587226824 UMCCUXUSHADUDV-HNNXBMFYSA-N 407.898 4.759 0 1 HJAF COc1cc(OC)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587345905 ACNVNGCJSRJPBT-LADGPHEKSA-N 408.425 4.823 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCNc3c(Br)cccc31)CC2=O 587459904 QLHUFEJQLJLSSP-HXUWFJFHSA-N 402.288 4.784 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)cc1F)CC2=O 587468968 ZFUPYOCLBCIJIX-QFIPXVFZSA-N 420.864 4.951 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn([C@H](C)C(=O)O)c3ccccc13)CC2=O 587471774 UOAQEYKIWVLYTR-JBEBIEQOSA-N 407.466 4.826 0 1 HJAF O=C1C[C@@H](c2ccc(O)c(I)c2)Oc2c1ccc1c2CCCC1 587500901 AJOGXDORMOLPFJ-SFHVURJKSA-N 420.246 4.582 0 1 HJAF O=C1C[C@H](c2cccn2[C@@H](Cc2ccccc2)C(=O)O)Oc2c1ccc1c2CCCC1 587511526 HHQHWDOKEPRKBO-LADGPHEKSA-N 415.489 4.942 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1OC 587547832 UXHFGVAQOZRJQO-DYESRHJHSA-N 412.825 4.766 0 1 HJAF C[C@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553823 WEIBQJIOFLRZNK-YLJYHZDGSA-N 402.233 4.971 0 1 HJAF C[C@@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558675 SUFIBUYHDXYEDG-URXFXBBRSA-N 416.408 4.594 0 1 HJAF COc1cc(C)c(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587590250 BFDCJMATORJIOJ-RCZVLFRGSA-N 420.461 4.681 0 1 HJAF C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(C)C 587703362 GPPHRRYDXTWQRM-BMLXRUJMSA-N 409.265 4.782 0 1 HJAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809520 UDEMRCRWPCLTQU-YBTHPKLGSA-N 408.311 4.712 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(C)(=O)=O)cc1 587860384 UUGVMGIOOZWGGC-UHFFFAOYSA-N 411.310 4.648 0 1 HJAF CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc(Cl)cn1 587861220 OIJIVJXBQRLGHN-OAHLLOKOSA-N 412.799 4.719 0 1 HJAF CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCCC1)c1ccccc1CC2 653786714 UMSYKHPHGIIPKL-UHFFFAOYSA-N 407.514 4.504 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(C(F)(F)F)cc3F)N12 962674036 VDGHARHDFUAEEL-NQIIRXRSSA-N 418.390 4.581 0 1 HJAF CCOC(=O)[C@]1(CC(=O)c2cc(C)ccc2C)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962943267 GIDFAILHQATCEO-HFJWLAOPSA-N 418.537 4.740 0 1 HJAF Cc1cccc2c1[C@H](CC[C@@H]1CCCO1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905680 ZRUUALSDZTXEDK-QYZOEREBSA-N 403.519 4.632 0 1 HJAF COc1cc(/C=C/C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O 1772647725 IXTWYODPRCKMGS-RVDMUPIBSA-N 402.494 4.685 0 1 HJAF COc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1 1857619338 LFIZKTLQYJDDBF-UHFFFAOYSA-N 403.404 4.610 0 1 HJAF Cc1nn(-c2ccccc2)c2c1[C@@H](/C=C/c1ccc(C(C)(C)C)cc1)CS(=O)(=O)O2 1857620712 PIGWIXHZFPVATE-QHSLDKKCSA-N 422.550 4.997 0 1 HJAF COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2)c1OC 775815 VOIBLYMWXQTAAI-UHFFFAOYSA-N 408.498 4.629 0 1 HJAF O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(C(=O)c1cccc(F)c1)CC2 3956278 QCENOXVIBBGLDV-UHFFFAOYSA-N 413.468 4.515 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Nc3ccc(F)c(Cl)c3)c1NC2 28571942 PIRRCCINNCBLGG-UHFFFAOYSA-N 402.813 4.748 0 1 HJAF O=C(c1ccccc1Cl)c1cc2oc(=O)n(CCc3ccccn3)c2cc1Cl 28754986 GROSFPNNHOANSU-UHFFFAOYSA-N 413.260 4.770 0 1 HJAF Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC2CC2)[C@@H]3c2ccc(C)cc2)cc1 29248998 YYVDFJAUJJYDGA-RKPQPEPPSA-N 420.578 4.554 0 1 HJAF OC1=NC[C@@H]2[C@@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1 49089812 XJVLXUUXKGHKOC-KZNAEPCWSA-N 416.344 4.637 0 1 HJAF O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2Br)C1 66156962 IAJVPLSKOVUWEK-UHFFFAOYSA-N 408.727 4.800 0 1 HJAF COc1ccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)cc1 82082809 HORDRVSUIAUHPM-UHFFFAOYSA-N 400.482 4.694 0 1 HJAF Clc1cccc(N2CCN(CCCCOc3cccc4ccnn34)CC2)c1Cl 150217764 LNOVYYQKQHZPMN-UHFFFAOYSA-N 419.356 4.622 0 1 HJAF CC(C)N(CC[C@](CCN1[C@H](C)CCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C 254088609 ONEJDEZBRATPQC-DNRQZRRGSA-N 419.629 4.711 0 1 HJAF C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 299845254 IFAGKOAMVIWQMA-GLGFJVPXSA-N 401.635 4.531 0 1 HJAF 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Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 45298693 LJMFHUWSINYYKM-UHFFFAOYSA-N 403.313 4.951 0 1 HJAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3nonc3c2)cc1 45334392 VLCPWHIPLCTDFT-LJQANCHMSA-N 415.497 4.513 0 1 HJAF Cc1cccc(C)c1-c1noc(C)c1NC(=O)NCc1ccc(-n2cccn2)cc1 59069334 BQCUXYRACVYLPD-UHFFFAOYSA-N 401.470 4.774 0 1 HJAF CC(C)(C)NC(=O)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72102479 UJDZJYVKZCJXMI-HXUWFJFHSA-N 418.944 4.526 0 1 HJAF CCC(=O)c1ccc2nc(CSc3nnc(CNc4ccccc4)n3CC)oc2c1 84690717 ZBNKHYTUZXSRAJ-UHFFFAOYSA-N 421.526 4.936 0 1 HJAF Cc1ccc(CN2OC(C)(C)[C@H]3COc4ccc5c(=O)c(C)c(C)oc5c4[C@H]32)cc1 96924225 VVEQWQHNPIGQBB-UGKGYDQZSA-N 405.494 4.994 0 1 HJAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccncc2)CCC1 104056626 WYJUBWMFOQNWQZ-IBGZPJMESA-N 407.474 4.776 0 1 HJAF C[C@H]1/C=C/CC(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@@H]2CC(=O)N[C@H]1c1ccccc1 169354623 KZQIDWVGSIGTGJ-XVDLXQHDSA-N 402.538 4.808 0 1 HJAF COc1ccc2cc3n(cc-2/c1=N/CCc1ccccc1)CCc1cc2c(cc1-3)OCO2 169725106 IRGVZRZAIBKCNU-DQSJHHFOSA-N 424.500 4.697 0 1 HJAF Cc1cc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 204762059 GGQLEISPJSDGND-UHFFFAOYSA-N 419.403 4.956 0 1 HJAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587027658 ZHFHOCUSPJQQTC-UHFFFAOYSA-N 409.696 4.990 0 1 HJAF COc1nccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 587086465 LCIGIPGJZHXHNB-BQYQJAHWSA-N 414.296 4.997 0 1 HJAF Cc1c(Br)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1C 587092702 ZARATSDNXXCZJR-UHFFFAOYSA-N 400.198 4.945 0 1 HJAF CN(C)C(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095086 PGAVMFQGXCGQMZ-UHFFFAOYSA-N 401.310 4.969 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)cc(Cl)cc2[nH]1 587179790 AECXALPPVVDTDQ-SSDOTTSWSA-N 418.641 4.795 0 1 HJAF Cn1cc(C(=O)c2ccccc2F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500395 BJAGAZZBOAUPRF-QHCPKHFHSA-N 403.453 4.981 0 1 HJAF C[C@@H](Oc1cccc(Cl)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656709 JQKQAVYGLUTYID-CQSZACIVSA-N 422.843 4.964 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)F)N1 587716824 DXHNGOQLJRTWSC-XYZCENFISA-N 418.278 4.917 0 1 HJAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587721170 WEJMZENAHDSIQA-ABKXIKBNSA-N 416.237 4.822 0 1 HJAF CCOC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587792882 DFNZSKCNMVQEIW-UGSOOPFHSA-N 420.322 4.973 0 1 HJAF COc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2 587830308 DQSGZDBHKYWGRE-XCJKDKRRSA-N 406.295 4.544 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1cccnc1 963002603 CMRMTOVEFFCQKJ-QHCPKHFHSA-N 410.514 4.537 0 1 HJAF COc1ccccc1C(=O)N[C@H]1CC[C@H](N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)CC1 1772634386 WJPCWCNDYQLQNT-IPJJNNNSSA-N 422.525 4.708 0 1 HJAF CC(C)c1sc(N2CCOCC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 1857569788 IYFZZCBCEFIKAV-UHFFFAOYSA-N 417.428 4.513 0 1 HJAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@@H](C)C=CC(=O)N2CCC[C@H]2C(=O)O1 2356322832 BWNYFNVEJYUZSV-FXTUREPZSA-N 407.595 4.887 0 1 HJAF COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)[C@H](OC)O2 2356619845 VWSZNYHUCXFZPZ-HSZRJFAPSA-N 422.433 4.699 0 1 HJAF CC(C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@@H](C)[C@@H](O)C(C)=CC(C)C 2356734098 QQZJCNSHAVQKIC-SMIHKQSGSA-N 401.591 4.644 0 1 HJAF CC1(C)[C@@H]2CC[C@]34C=C[C@@](C)(C3)C(=O)C[C@H]4[C@]2(C)[C@@H]2[C@H](c3ccccc3)OC(=O)[C@]21O 2356752629 FUGNURRLVDNLHA-AZWKPGGKSA-N 420.549 4.630 0 1 HJAF O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccco1 4356090 NVNVFISQZPQKMK-UHFFFAOYSA-N 419.506 4.897 0 3 HJAF O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)C/C=C/c3ccccc3)C2)on1 61898612 FNBREQRQFGXZJM-OEMHODTASA-N 415.493 4.736 0 3 HJAF Clc1cccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1Cl 95603419 KLCNGFXYNVYAEJ-UHFFFAOYSA-N 413.352 4.696 0 3 HJAF O=C1CN(C(=O)C2CCCCC2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456384 XZFLSIOVOHRSCP-OAQYLSRUSA-N 400.881 4.930 0 1 HJAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)[C@@H]1c1c[nH]c2ccccc12 2469292 IIOGCOSWGVBHOG-PKTZIBPZSA-N 413.452 4.856 0 1 HJAF COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@@H](C)C[C@H]4[C@H]3C2=O)cc1 6488414 VKTZBDQRVLTQFN-ZQLYWWNPSA-N 414.505 4.983 0 1 HJAF O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Cl)c21 11536224 NEFZRUQWIIKRDW-UHFFFAOYSA-N 410.804 4.997 0 1 HJAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1nc(C(F)(F)F)n2C 13442821 OHQYEALDIFIKBY-UHFFFAOYSA-N 419.190 4.555 0 1 HJAF O[C@@H](Cc1ccc(Br)cc1)CN1[C@H]2CC[C@@H]1CC(c1ccccc1)C2 13766697 IYFITMLPVWGURC-VCWGRIPDSA-N 400.360 4.763 0 1 HJAF CC(C)=CCc1c(O)c(C(=O)C[C@H](C)CO)c2oc(=O)cc(-c3ccccc3)c2c1O 14585993 RTYJWVASGLZLEA-HNNXBMFYSA-N 422.477 4.581 0 1 HJAF biogenic O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1scnc1CCc1cnoc1 14946560 UVRYYKGMYLOKAL-UHFFFAOYSA-N 401.797 4.841 0 1 HJAF CCc1nn(CCO)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl 27849850 LAUWCFLUKHHDMQ-UHFFFAOYSA-N 408.970 4.844 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@]12C 29410102 NVBZLUSKXDCJBQ-DAMCDULNSA-N 402.623 4.580 0 1 HJAF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1 34516930 DJSIDVKDEPSWHS-QHCPKHFHSA-N 415.493 4.945 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189705 WTMPZTOIYURJBE-KJQPUYDFSA-N 402.623 4.867 0 1 HJAF COc1cc([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)cc(OC)c1OC 66097958 OULZIFHZRWSSFJ-OAQYLSRUSA-N 404.466 4.563 0 1 HJAF CCN(CC)C(=O)CC[C@]1(c2ccc(Cl)cc2)c2c(OC)cccc2-c2nccn21 72110391 YBTRRYYNHWVJLG-DEOSSOPVSA-N 423.944 4.966 0 1 HJAF in-vitro c1cc(CN2CCC3(CC2)OCCc2sccc23)nc(-c2ccc3c(c2)OCO3)c1 84689077 PTHUVCDAHCPWDF-UHFFFAOYSA-N 420.534 4.603 0 1 HJAF COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2ccccc2)ccc1-n1cnc(C)c1 95575687 SDOYMBSOCUJCJG-FJWZAKCXSA-N 414.509 4.754 0 1 HJAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCCN1CCCCC1 103271038 HMYHZNXENWPJMB-UHFFFAOYSA-N 423.509 4.819 0 1 HJAF COc1cc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc(OC)c1O 103657905 QIPGVWNDSRYFPP-XXBRTLJISA-N 423.469 4.649 0 1 HJAF CCOC(=O)c1cn(CC)c2cc(F)c(O[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc2c1=O 138356315 UDJIVBMJRVKZIM-OSZRXVRWSA-N 415.505 4.931 0 1 HJAF CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1=O 205767178 YRJXFSVQDBZUOD-AWEZNQCLSA-N 408.395 4.707 0 1 HJAF CN(C)[C@@]12CC(=O)N[C@@H]([C@H](c3ccc(Cl)cc3)C1)[C@@H](c1ccc(Cl)cc1)C2 253686392 UYXHIZLUTYUOHZ-MWJRXLOASA-N 403.353 4.844 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12 261173537 UHMFNDHUKFJDDW-ZRJNXXGPSA-N 417.553 4.646 0 1 HJAF O=c1c2cc(OCCCCCCCCCN3CCCCC3)ccc2nc2n1CCC2 299829211 KYOYXRRRLHKOKN-UHFFFAOYSA-N 411.590 4.938 0 1 HJAF O=C1C[C@H](Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1 299866383 OTCVHCLJVNBMGJ-NRFANRHFSA-N 406.482 4.975 0 1 HJAF Brc1cncc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587018332 VVJVYEKHGNUSLT-UHFFFAOYSA-N 423.299 5.136 0 1 HJAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(I)cc2[nH]1 587028752 VFBJNJAJMHEMBO-UHFFFAOYSA-N 406.252 4.595 0 1 HJAF CC(C)(C)Oc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(N)cc1F 587135854 GQGUOMOKOOGMHG-UHFFFAOYSA-N 413.678 4.939 0 1 HJAF CC(C)(C)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 587171012 XBLALQBDAGEADA-UHFFFAOYSA-N 424.501 4.862 0 1 HJAF Cc1csc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587373256 IBLUGTUPQQQRBW-FQEVSTJZSA-N 424.497 4.694 0 1 HJAF CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587383214 ZEDWGEJZKQLHKH-OYHNWAKOSA-N 419.880 4.516 0 1 HJAF Cc1ccccc1[C@]1(/C=C2/SCC(=O)N2C)CC(=O)c2ccc3c(c2O1)CCCC3 587537856 LEKNFEIGISYPJU-AQIZGWBQSA-N 419.546 4.781 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(F)cc(F)cc12 587566878 BALHAFHMYAFTME-AUSIDOKSSA-N 410.372 4.700 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587582241 YZGXVMSFVKACEP-DHLKQENFSA-N 417.461 4.758 0 1 HJAF COc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587595812 UAEGLOQKRCOECI-QPPBQGQZSA-N 406.434 4.595 0 1 HJAF CC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587695513 KCWHBYCTUNULSU-WLRWDXFRSA-N 410.714 4.999 0 1 HJAF C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC(C)C 587703365 GPPHRRYDXTWQRM-DPPRAZFJSA-N 409.265 4.782 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(F)cc2)N1 587735432 PTXNOZCBLSTAQK-KEWVOAJGSA-N 407.302 4.580 0 1 HJAF CCOC(=O)C[C@]1(CC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800171 VKQNOMOTXVWLAF-HXPMCKFVSA-N 400.332 4.707 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(SC(=O)N(C)C)c2)N1 587845092 MUVIMCIEWZZFGF-VOJFVSQTSA-N 423.351 4.986 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Cl)cnn1CC 587864778 LAZJPXTWJZMQBY-UHFFFAOYSA-N 412.799 4.526 0 1 HJAF COc1ccc(/C=C/Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c(OC)c1 587930946 XPXITBBNRLQQFY-ONEGZZNKSA-N 409.230 4.877 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccc(Cl)cc1)c1ncccn1 962375140 RQWZDJRVWLWHGD-HSZRJFAPSA-N 420.969 4.880 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](C)(c1c(F)ccc(Cl)c1Br)NCC2 962914320 FGEFEDFOSKGGNV-QGZVFWFLSA-N 400.723 4.508 0 1 HJAF Cc1cccc(C2=C[C@@]3(NCCc4ccc(C(=O)N(C)C)cc43)c3cc(C)ccc3O2)c1 962922740 GZJGSXHYDVXXOB-NDEPHWFRSA-N 424.544 4.828 0 1 HJAF C[C@@]1(c2c(O)nc3ccccc3c2-c2ccccc2)NCCc2nc3ccccn3c21 962988297 XWMVLAQIIORMRI-SANMLTNESA-N 406.489 4.664 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@]2(c1c(F)cccc1F)c1cncc2ccccc12 963127338 XXFDGJGMXUPPES-RUZDIDTESA-N 416.427 4.649 0 1 HJAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2cccc(Cl)c2)cc1 1772574572 YQAHEMJLXLEJPE-LQAIEGPQSA-N 412.913 4.726 0 1 HJAF O=C1C[N@]2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 1857623629 GDBRNGAUUMNIRB-DFBJGRDBSA-N 407.728 4.787 0 1 HJAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1 206016208 VUFUHESEFOBMRA-JOCHJYFZSA-N 404.982 4.839 0 3 HJAF CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCOCC1 13533109 OIAPASORPDZQIX-UHFFFAOYSA-N 408.955 4.571 0 1 HJAF C/C(=C\Cn1oc(=O)nc1O)c1cccc(OCc2ccccc2-c2ccccc2)c1 27101325 LSBARDSJIYHAAO-NBVRZTHBSA-N 414.461 4.891 0 1 HJAF COC1(c2cc(Sc3ccc4c(c3)CCC(=O)N4C)sc2C)CCOCC1 27307501 BGGZULNZDVQMNT-UHFFFAOYSA-N 403.569 4.769 0 1 HJAF O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCC1)[C@H](NCC1CCCC1)O2 28121563 VSYYRXUYZOKVJA-XMMPIXPASA-N 406.526 4.846 0 1 HJAF CS(=O)(=O)c1ccc(-c2nc(SCc3ccccc3)cc(C(F)(F)F)n2)cc1 29132835 ROURCEVSUZAAPZ-UHFFFAOYSA-N 424.469 4.858 0 1 HJAF COc1ccc(COc2cc(Cl)cc(Cl)c2/C=C/[C@H]2C[C@@H](O)CC(=O)O2)cc1 29412241 KNXFUSHXTLKHKG-TYGQBZDHSA-N 423.292 4.661 0 1 HJAF COc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2Cl)cc1OC 38449634 XMZUWWYINMWAGW-UHFFFAOYSA-N 423.856 4.792 0 1 HJAF COc1ccc([C@H](OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 40876355 PLNKPZJIUDXZNC-JBACZVJFSA-N 408.464 4.528 0 1 HJAF COc1cccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1 45288026 GXZQHVCGKNJFPB-UHFFFAOYSA-N 408.571 4.822 0 1 HJAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1)c1ccc2cnccc2c1 72178906 REUCABNHPPJJRD-PXNSSMCTSA-N 400.309 4.622 0 1 HJAF C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2)cc1 73196964 OHPJDSWSJSWBHQ-HXUWFJFHSA-N 402.538 4.973 0 1 HJAF O=C(Nc1noc2ccccc12)N1CCN(c2cc(-c3ccccc3)cs2)CC1 95583335 XUJFRHWWFVTGAV-UHFFFAOYSA-N 404.495 4.910 0 1 HJAF COc1ccc(Oc2c(Cl)cnn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 95595087 RWQKCPCIFFVTET-UHFFFAOYSA-N 410.779 4.765 0 1 HJAF CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C 100726816 URWHLKOGTDACHK-PKTZIBPZSA-N 403.546 4.668 0 1 HJAF O=S(=O)(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1 101027624 ZTUUNTGQZJTSDK-STQMWFEESA-N 402.368 4.527 0 1 HJAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccccn4)ccn23)c1 139500930 KPVANHBTOHTGQY-UHFFFAOYSA-N 411.387 4.747 0 1 HJAF CC(C)(C)n1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 143278141 UPXXMBFEAGINOV-NRFANRHFSA-N 402.416 4.576 0 1 HJAF O=c1c2cn[nH]c2c2ccc(-c3ncc(Cl)cc3Cl)cc2n1CC(F)(F)F 205055411 HMJDGXFHJWTXOM-UHFFFAOYSA-N 413.186 4.809 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1 255243891 NEMWYOKGHGSVSC-VWJLJWALSA-N 415.662 4.563 0 1 HJAF Cc1ccc(Nc2ncc([C@@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1 473096839 BTZWZEOPAGNHAS-INIZCTEOSA-N 401.923 4.766 0 1 HJAF COc1nccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12 586919007 WTSKBKLLXUASKR-UHFFFAOYSA-N 419.481 4.626 0 1 HJAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586927893 YXYBCNPFCQAAOM-UHFFFAOYSA-N 420.490 4.574 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc3ccccc3cc2[nH]1 586985326 UPIMZNNLJIVDGE-FQEVSTJZSA-N 408.299 4.899 0 1 HJAF NC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998898 RTLSZKREFLRBGI-JXMROGBWSA-N 408.255 4.855 0 1 HJAF Clc1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587042650 VCSIAENDZXLDBZ-HUUCEWRRSA-N 408.752 4.925 0 1 HJAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)cc1 587113893 WKKIONBGBZZCQZ-UHFFFAOYSA-N 413.190 4.590 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(NC(N)=O)c4C)[nH]c3c2)cc1 587238842 GRPUKDXMZBFKAY-UHFFFAOYSA-N 416.437 4.608 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1F)O2 587380736 CJBIOQCADXFYEG-DEOSSOPVSA-N 423.415 4.536 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(OC(F)(F)F)c1)O2 587383824 WFDUPHBYDZFESR-CQSZACIVSA-N 416.193 4.945 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccc(Br)c1F)[C@@H](C2)C3=O 587428463 ZMMAUNHPUQUZKT-XTZNXHDOSA-N 411.654 4.913 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCOc1ccc(OC)cc1)CC2=O 587470106 ICZZJAFSSBSLCT-XMMPIXPASA-N 421.493 4.940 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2Cl)c1 587547192 LCOCCJIFBDSHQQ-REWPJTCUSA-N 418.836 4.934 0 1 HJAF CCOc1cc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587593488 DTORFOZMGGCMIJ-RCZVLFRGSA-N 420.461 4.850 0 1 HJAF CC(C)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587594019 JZNJUZNSJNEPDJ-QPPBQGQZSA-N 406.434 4.836 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCN(Cc1ccccc1)C2 587597013 TVRUUFHEZAVOHO-ZEQKJWHPSA-N 415.489 4.779 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cc(Cl)ccn3)c(=O)c3ccccc23)c(O)c1 587666345 WWLMPTDOLPZQNJ-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587694770 ACOAWQMMRICWEG-WYRIXSBYSA-N 410.714 4.999 0 1 HJAF COc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587757114 MYVQPKXHHXVNGR-WLRWDXFRSA-N 403.295 4.712 0 1 HJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587785356 NNGQTCANOKRDLP-OLZOCXBDSA-N 405.679 4.922 0 1 HJAF COc1cccc2c1OCC([C@@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 587834892 NFWXBIYXTLMXAG-LAJNKCICSA-N 418.306 4.822 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)o2)N1 587845016 QELMCAWEHSBCDY-BMLIUANNSA-N 420.307 4.746 0 1 HJAF C/C(=C\[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587849903 WWEGFYSMBGPMKM-NXJRDIMHSA-N 409.368 4.893 0 1 HJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(I)c2[nH]1 587928251 ZRMDGSFPCUOJMM-LBPRGKRZSA-N 422.266 4.727 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)c1 587929632 CCDUZPQDHGQXNU-UHFFFAOYSA-N 400.434 4.631 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cccc(-c4cccs4)n3)N12 962657593 CLUCTTUMCJHFFX-ZJSXRUAMSA-N 415.518 4.546 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C(=O)O)o1)c1cccnc1Cl 963223704 CZRCCLYSPYWFTG-CMJOXMDJSA-N 410.901 4.975 0 1 HJAF C[C@@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@H](c2ccccc2Cl)C1 1772569806 IQRDNJXZWCVKSM-GJZGRUSLSA-N 411.937 4.851 0 1 HJAF O=C(Nc1ccnc(F)c1)C1=NN(Cc2ccc(Cl)cc2Cl)[C@H]2CCCC[C@H]12 1772620180 GMKWRLUSDILWKC-RDJZCZTQSA-N 421.303 4.897 0 1 HJAF Clc1ccc([C@@H]2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1 1857592833 STRWOISKNSBYMP-IBGZPJMESA-N 402.329 4.874 0 1 HJAF COc1ccc(CCN[C@@H](C(=O)Nc2ccccc2C)c2ccccc2)cc1OC 1857762693 VSKRWFXENMRNQZ-XMMPIXPASA-N 404.510 4.524 0 1 HJAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cnc3ccccc3c2)cc1 3814627 QNEDJHHKBRZHMD-UHFFFAOYSA-N 417.412 4.510 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 4080386 AABMZCQOJBQJNT-PKTZIBPZSA-N 411.546 4.936 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 26568487 RCXGNJNDQYAWDC-ALWPMGMCSA-N 422.606 4.890 0 1 HJAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1 28345417 RUNIZNWDLDTNRM-XWCIJXRUSA-N 402.368 4.527 0 1 HJAF O=C1NCN(CC2CCCCC2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28567812 HALBBCPTBGGVAD-ZEQRLZLVSA-N 409.618 4.517 0 1 HJAF C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](C)[C@H]3O)C(=O)O 43469954 LPHVFIFMGROHAK-PJDWHELPSA-N 420.634 4.970 0 1 HJAF O=c1c(Br)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1 48998442 PYJZBBGMYAYLMC-UHFFFAOYSA-N 406.226 4.516 0 1 HJAF COc1ccc(C(=O)CSc2nc(O)c(C(C)C)c(Cc3ccccc3)n2)cc1 66263039 ABZORBYFBPUXPA-UHFFFAOYSA-N 408.523 4.880 0 1 HJAF CCS(=O)(=O)CCC12CCC(c3nnc(-c4ccc(Cl)cc4)n3C)(CC1)CC2 71316374 ADLLAELRQCIVNK-UHFFFAOYSA-N 421.994 4.552 0 1 HJAF COc1cc(-c2cn(Cc3ccc(C(C)(C)C)cc3)nn2)ccc1-n1cnc(C)c1 72114110 SUBIMNIDAXOLTK-UHFFFAOYSA-N 401.514 4.794 0 1 HJAF O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2cccc(-c3ccccc3)c2)on1 72171018 OJATVZBFEKYGRA-UHFFFAOYSA-N 412.445 4.710 0 1 HJAF CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)COc1ccccc12 84617946 NXMMWFXEQNBGJS-UHFFFAOYSA-N 420.488 4.748 0 1 HJAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC)P(=O)(Oc1ccccc1)Oc1ccccc1 96167894 RDUZJAJYHSJVQI-DBVUQKKJSA-N 404.447 4.563 0 1 HJAF COc1cc2c(c(OC)c1)OCN(c1ccc3c(=O)cc(-c4ccccc4)oc3c1)C2 103169544 KHHDFEFXXOOJQM-UHFFFAOYSA-N 415.445 4.834 0 1 HJAF O=C(O)c1ccc(N[C@@H](CC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 103171037 VZJBQJOXCLZGDN-NRFANRHFSA-N 413.429 4.917 0 1 HJAF O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3 115013320 TYTBFZXIZZOJCL-UHFFFAOYSA-N 423.438 4.693 0 1 HJAF C[C@H]1Oc2ccccc2O[C@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1 169312217 PNGIUPKSHPIGPW-KOSHJBKYSA-N 422.525 4.642 0 1 HJAF COc1cccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1 169699774 HIBIGJZEZCAFTM-UHFFFAOYSA-N 411.465 4.852 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2ccc(C#N)cc2)C1 299885884 WFYFZLMSYMZSGX-FGTMMUONSA-N 405.546 4.876 0 1 HJAF OCC12CCC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)(CC1)CC2 586895625 QHNZGZYTAUXUNZ-UHFFFAOYSA-N 403.242 4.929 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3CC4(COC4)C3)[nH]c12 586917274 RXOPIEXYEFBEQK-UHFFFAOYSA-N 401.388 4.728 0 1 HJAF CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1 586985588 PKCNNVZYUOKNQO-IBGZPJMESA-N 412.331 4.624 0 1 HJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 587014518 MSWDMBQUQYPRGW-QMMMGPOBSA-N 410.293 4.553 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1Br)O2 587381990 JURCPQNNNKRPRH-HNNXBMFYSA-N 416.193 4.945 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399008 HGKIYVNNYXRISY-VWLOTQADSA-N 417.461 4.793 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cccc(C)n3c1Br)CC2=O 587458502 JYIQGBPRKLPHCF-MRXNPFEDSA-N 415.287 4.770 0 1 HJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1O 587502046 ZUJJKRIHGZPVFC-QGZVFWFLSA-N 403.272 4.749 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC1CCOCC1 587606820 FBGFXHDDRPCPHT-WIOPSUGQSA-N 418.445 4.653 0 1 HJAF COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)c(Br)cnc2[nH]1 587786571 HVYNRDHYQTZZTF-UHFFFAOYSA-N 408.683 4.506 0 1 HJAF CC[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804913 DJURAOQSISHWEI-MPBGBICISA-N 408.311 4.793 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1 587826176 CWDAOVSEBKKBQQ-FVINQWEUSA-N 422.294 4.630 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc(Cl)cn1 587864422 GMUYKMJWVZTARG-LLVKDONJSA-N 412.799 4.719 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)[nH]n1 587866033 BOYPHJXTOROOEX-UHFFFAOYSA-N 416.359 4.639 0 1 HJAF Cc1cc(Cl)ccc1OCn1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587873750 IVMNIRLTRUGWCG-UHFFFAOYSA-N 424.819 4.678 0 1 HJAF Cc1ncc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)nc1Br 587941773 QWMDQEVJOCHTCI-UHFFFAOYSA-N 416.319 4.812 0 1 HJAF Clc1cc2c(cc1[C@H]1c3ccccc3C[C@H]3CN(c4ccccc4)CCN31)OCO2 962628793 DAYVGWZNLJDVJA-UQBPGWFLSA-N 418.924 4.905 0 1 HJAF Brc1c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)nc2ccccn12 962670225 QVGKLNGTGATRGA-HXUWFJFHSA-N 404.311 4.999 0 1 HJAF COc1ccc2c(c1)[C@](c1cccc(OC)n1)(c1ccc(C)cc1C)N[C@@H]1CC[C@H]21 962994746 LUYMSSAZKQTTFJ-WIOYSNFSSA-N 400.522 4.857 0 1 HJAF COC(=O)c1cc(CCCCCCCCc2cc(C(=O)OC)c(N)s2)sc1N 1772643020 WNIGAFISGBVEQB-UHFFFAOYSA-N 424.588 4.673 0 1 HJAF Fc1ccc(C2(COc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)cc1 1772652947 IZKCFJGBVRGDAT-UHFFFAOYSA-N 405.395 4.950 0 1 HJAF C[C@@H](CC(N)=O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772654606 ZAAJXLLUBZAIBM-ZDUSSCGKSA-N 415.419 4.962 0 1 HJAF CC1=NC[C@H](c2cn(S(=O)(=O)c3c(Cl)cccc3Cl)c3ccc(C)cc23)N1 1857584661 RYGUQNWAJDEGOO-QGZVFWFLSA-N 422.337 4.556 0 1 HJAF Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCO[C@H](C)C2)cn1 1857621573 YYSUHJMDOKKANR-RHSMWYFYSA-N 407.905 4.667 0 1 HJAF COc1cc(/C=C/C(=O)NCCc2ccccc2)ccc1OCc1ccc(C)cc1 1857629398 AMMQPZOCSSJWNQ-FYWRMAATSA-N 401.506 4.955 0 1 HJAF CC1(C)CC(C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC(C)(C)N1[O] 1857643993 JVVCJNJKGZNYOX-UHFFFAOYSA-N 410.490 4.564 0 1 HJAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@H](N(C)C)c4ccccc43)c(Cl)c2)n1 1857754648 VEFAAARTOXGZIC-NRFANRHFSA-N 408.933 4.877 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccccc1N 4080446 VZBRFDOSAVIHKJ-RPWUZVMVSA-N 423.557 4.998 0 1 HJAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2c(Br)cc(C)cc32)cc1OC 13905801 UFDKBKNQRNPMCW-KRWDZBQOSA-N 415.331 4.686 0 1 HJAF COc1cc(C[C@H](C)[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 34114025 QWQYPPPWEDOAHA-HOTGVXAUSA-N 418.530 4.796 0 1 HJAF biogenic Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1 43059572 XCNJIEUIDFBRCJ-QFIPXVFZSA-N 409.532 4.850 0 1 HJAF CCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 66080216 DNOPDNHYMAIYSW-UHFFFAOYSA-N 420.538 4.987 0 1 HJAF COc1ccc(C2=C(C)CN(C(C)(C)c3nc4ccccc4s3)C2=O)cc1OC 103199094 FKBYNKWRUUMONM-UHFFFAOYSA-N 408.523 4.865 0 1 HJAF O=C(Nc1ccccc1)Nc1cccc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 116182416 WTGSPWFNBNZLCR-GOSISDBHSA-N 412.497 4.986 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@H](F)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141905018 NIRUKMZQAJQOKO-CLRPQTJXSA-N 403.513 4.681 0 1 HJAF COc1cncc(-c2ccc3c(c2)nc(-c2cccc(C(N)=O)c2)n3C(C)(C)C)c1 143820898 PCGYOZPNYZQBLI-UHFFFAOYSA-N 400.482 4.628 0 1 HJAF C[C@@H](c1ccc(Br)cc1)N1CCC2(OC1=O)[C@H]1CC3C[C@@H]2CC(O)(C3)C1 169703343 LJJDWKAZXBYJCW-RLSYKZHLSA-N 420.347 4.662 0 1 HJAF CCCc1[nH]c(=O)c(Cc2cnc3cc(OC)ccc3c2)c2cc(OC)c(OC)cc12 169703372 FQHVBUYNIPKVQS-UHFFFAOYSA-N 418.493 4.645 0 1 HJAF Cc1ccc(-n2c(Sc3sc(N)nc3C)nc3ccc(Cl)cc3c2=O)cc1 299832612 QBXZIUVNLIZGNJ-UHFFFAOYSA-N 414.943 4.846 0 1 HJAF O=C1O/C(=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)Nc2ccccc21 586989399 HOUAEMHLYCRASI-MTJSOVHGSA-N 406.397 4.733 0 1 HJAF Cc1c(F)ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170300 NVYWNUCQKZBNRW-UHFFFAOYSA-N 405.451 4.679 0 1 HJAF Cc1ccc(NC2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CCCC2)cc1 587237215 MRMZOIWGEKEVNH-UHFFFAOYSA-N 414.513 4.812 0 1 HJAF CC1CCN(S(=O)(=O)c2ccc(C(=O)c3coc4ccc(Cl)cc34)cc2)CC1 587278853 MOZIOCBYTZCMEZ-UHFFFAOYSA-N 417.914 4.738 0 1 HJAF CN(C)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371799 DGOIZJMVVNKIDA-FYYLOGMGSA-N 411.498 4.799 0 1 HJAF C[C@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558677 SUFIBUYHDXYEDG-ZJSXRUAMSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCC1)Oc1ccccc12 587610890 QXZLXYXZRSVBPG-PXDATVDWSA-N 400.430 4.955 0 1 HJAF COc1cccc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 587661044 LMPWKSGCRIMKHY-UHFFFAOYSA-N 424.435 4.657 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl 587692834 LUTBZGPEPGHAGV-NIVTXAMTSA-N 414.702 4.882 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1 587716122 IJLPWPDCUSJRQK-XYZCENFISA-N 416.237 4.822 0 1 HJAF C[C@H]1CN(Cc2ccccc2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587762819 UULAJUBJEVFAIJ-DMPWYTOCSA-N 417.366 4.860 0 1 HJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587785355 NNGQTCANOKRDLP-CHWSQXEVSA-N 405.679 4.922 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587790581 IOXTZRSWJAFBGQ-GJPGNPISSA-N 411.315 4.639 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ccncc3)nc(Cl)c2C)s1 653782782 ZWNVQEUYBPXKNJ-CVEARBPZSA-N 415.950 4.701 0 1 HJAF COC(=O)CCC[C@@]1(c2ccccc2)NC2(CC2)Cc2ccc(Br)cc21 961315061 BFBHEZFCRAZIGN-QFIPXVFZSA-N 414.343 4.714 0 1 HJAF COc1ccc2c(c1)[C@@](CCCCC(=O)O)(c1cccc(N(C)C)c1)N(C(C)C)CC2 962095361 YLUJUMAZYYCYJX-AREMUKBSSA-N 424.585 4.916 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1cc(Cl)ncc1C(F)(F)F)N(C)[C@H](C)C2 962636784 SYKZGRXHILSXSB-QGHHPUGFSA-N 400.828 4.737 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 962896329 CCBMGGBRYMYWGP-WFASDCNBSA-N 408.178 4.840 0 1 HJAF Cc1sc2c(c1C)CCN[C@@]21CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 963015275 WSEGWVCXWCLOPO-RDTXWAMCSA-N 404.498 4.668 0 1 HJAF Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963099563 ICRRNNIJUMIASV-CVDCTZTESA-N 414.484 4.659 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(Cl)c2)C(=O)OC)cc1 1772570437 WEMXZTLBHXXCBV-KSFYIVLOSA-N 417.933 4.728 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(N2CCC(C)CC2)nc2ccc(OC)cc12 1772622440 YGBNBIHDHMIRMG-QGHKNZBBSA-N 423.601 4.634 0 1 HJAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cc(F)cc(C(F)(F)F)c3)ccc12 1857568767 YPWKZMQJXMNLTB-UHFFFAOYSA-N 424.346 4.774 0 1 HJAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@](N)(CCCO)C2 2356354834 BAHKPRCIMGABLL-XPHDBTLISA-N 401.591 4.559 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](OC(C)=O)C[C@@H](C)[C@]12C 2356545415 JKBLJUFERPGEOU-REXYXRLHSA-N 402.487 4.709 0 1 HJAF COc1ccccc1-c1sc2ccccc2c1-c1cnc(N2CCOCC2)nc1 95568683 KNHURFVFOAFRLQ-UHFFFAOYSA-N 403.507 4.871 0 3 HJAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 4051528 WRPNCWWPTPXIGW-OAEOJWKDSA-N 418.468 4.804 0 1 HJAF COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4211031 KMLVBNVNSGPFLQ-JTHBVZDNSA-N 420.896 4.757 0 1 HJAF COc1ccc2nc3sc(C(=O)NCCCN(C)Cc4ccccc4)cc3cc2c1 4900761 ZTOMMZWMFKVHEI-UHFFFAOYSA-N 419.550 4.710 0 1 HJAF O=C(O)c1cc(CCCCCCNS(=O)(=O)c2ccccc2)c2cccccc1-2 13826269 NMFNUBPGMDEVTK-UHFFFAOYSA-N 411.523 4.571 0 1 HJAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 27298625 LSRPJNTWHNCYBF-HCZPCCSLSA-N 407.602 4.587 0 1 HJAF COc1cc(C)ccc1OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(CC(C)C)cc1 28642418 LGVPDRCTJSOYKD-KNQAVFIVSA-N 423.553 4.902 0 1 HJAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccccc2Cl)c1 29038792 PAFHMJZUUZZYQR-UHFFFAOYSA-N 422.984 4.907 0 1 HJAF CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F 29396433 BBPARFLLDBHFKO-UHFFFAOYSA-N 407.436 4.521 0 1 HJAF CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2C1 40915570 LJDDOHSDSJQCGW-UHFFFAOYSA-N 406.551 4.922 0 1 HJAF COc1ccccc1OCCNC[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 49037054 PEVLAFDVQRAQGN-QFIPXVFZSA-N 421.562 4.697 0 1 HJAF Ic1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 100065481 HERRJNYYLXGIML-UHFFFAOYSA-N 411.246 4.703 0 1 HJAF O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@H](c3cccc(Br)c3)[C@@H]12 102964567 VILJUNOYFPAACM-SJLPKXTDSA-N 401.691 4.775 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@H](CSc2ccccc2)C(F)(F)F)c(C)c1 103253894 XZOCWBJVVFJEFU-MRXNPFEDSA-N 403.491 4.613 0 1 HJAF CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)nc3)cnn12 115652498 YLLCNIUQXKBEEB-HSZRJFAPSA-N 420.900 4.508 0 1 HJAF CSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 118745777 RZVCKJUHTUVKEW-UHFFFAOYSA-N 400.507 4.677 0 1 HJAF Cc1sc2c(c1C)C(c1ccccc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2 149227196 WFNJUHHKHCERLK-KRWDZBQOSA-N 422.554 4.878 0 1 HJAF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(Br)c1O 169290378 WCROFLNXVAMUFW-RQSKZDRZSA-N 409.320 4.935 0 1 HJAF Cc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)c1 253635570 RSAQDZVYAIXCFK-MEMLXQNLSA-N 411.615 4.557 0 1 HJAF COc1ccccc1CCNCC(=O)N1CCc2ccccc2[C@H]1C1CCCCC1 299840581 VMAAYDDUTWTYFJ-AREMUKBSSA-N 406.570 4.534 0 1 HJAF Clc1ccc(OCc2nc3cc(Br)ncc3[nH]2)c(Br)c1 586976635 GTLWTEVXEXRUSA-UHFFFAOYSA-N 417.488 4.715 0 1 HJAF Cc1cc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1Br 586977502 PZRFHGXQVSNDTJ-UHFFFAOYSA-N 424.092 4.685 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587043709 UQGRYAUNVZTUTJ-CQSZACIVSA-N 423.872 4.781 0 1 HJAF CCOC(=O)C[C@]1([C@@H](C)CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349031 OXLJCTRGNFZIMI-NNIZRDCOSA-N 400.446 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1Br)[C@@H](C2)C3=O 587414916 YTUHWDJICNUIJY-SJCJKPOMSA-N 424.088 4.709 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587423548 VLUZFEXLHNRFNY-NPMXOYFQSA-N 422.820 4.557 0 1 HJAF COc1cc(Br)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497351 CBQXWLYYOKBTGA-SFHVURJKSA-N 403.272 4.749 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2nccc-2c(Cl)c1F 587567393 HMAXSZAGSBKEPC-VLIAUNLRSA-N 410.788 4.716 0 1 HJAF CC(=O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576589 JOOGOSCYFYQAGA-DHLKQENFSA-N 413.429 4.884 0 1 HJAF CCOc1c(OC)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587595929 LZRPZVRVBBHJRH-NFBKMPQASA-N 422.433 4.511 0 1 HJAF COc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587614876 DIXYAFHXPNSVHU-DHLKQENFSA-N 414.413 4.899 0 1 HJAF COC[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587723812 CIUJMBHOANTKFB-YPMLDQLKSA-N 416.693 4.805 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(F)c3)c2)N1 587727607 BWLLHABPGKENDV-NSPYISDASA-N 404.258 4.537 0 1 HJAF COC(OC)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587731342 ZBARNIWQZRXBBN-XTZNXHDOSA-N 412.274 4.642 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN3CCCC3)c2)N1 587765178 IPXBNSDSMHPFTR-SPLOXXLWSA-N 403.339 4.808 0 1 HJAF COc1ccc(OC)c2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587806733 ISOKEUBDKKGTIZ-XUSGNXJCSA-N 420.322 4.720 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cccc(-c4cccs4)n3)N12 962657590 CLUCTTUMCJHFFX-URXFXBBRSA-N 415.518 4.546 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(Br)cccc2C(=O)OC)N1 962952719 VPHPMOUIJZLANS-ODXCJYRJSA-N 413.315 4.731 0 1 HJAF CCOC(=O)[C@@H](C)Oc1cc(Cl)c([C@H]2NCCc3c2sc(C)c3C)cc1OC 963021504 JNJODNROKQQDAW-CWTRNNRKSA-N 423.962 4.592 0 1 HJAF Cc1c(C(=O)O)sc2nc(CCc3ccccc3)nc(NCCc3ccccn3)c12 1772572131 PMVHTSSCBDRLGN-UHFFFAOYSA-N 418.522 4.533 0 1 HJAF CCc1cccc(NC(=O)c2cccc(/C=C3\CC(=O)N(c4ccccc4)C3=O)c2)c1 1857567086 RYAZPZRBNDGKGW-RCCKNPSSSA-N 410.473 4.848 0 1 HJAF O=C1C[N@@]2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 1857623631 GDBRNGAUUMNIRB-UQBPGWFLSA-N 407.728 4.787 0 1 HJAF CC1=C[C@H](CNS(=O)(=O)C(C)C)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356286702 MIVIYWITWWGLSN-AQNXPRMDSA-N 417.619 4.596 0 1 HJAF CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356557320 JRSIPWOSJIRGLU-DVJXIFHOSA-N 402.531 4.719 0 1 HJAF CCN1CCN(c2ccc(Nc3ccnc4ccc(Br)cc34)cc2)CC1 3056484 PIAUSIUHHGHFFH-UHFFFAOYSA-N 411.347 4.883 0 1 HJAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@@H](C(C)=O)C(=O)OCC)O1 7992319 DKKHEPSSWBSDPM-FGZHOGPDSA-N 404.503 4.855 0 1 HJAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1/C=C/c1ccccc1 27524242 PWSNLPWITRDQQL-BQXQKYNTSA-N 417.505 4.774 0 1 HJAF CC(=O)c1cccc(NC(=O)Nc2nc(SCCOc3ccccc3)ns2)c1 35314225 LZTVQZYTIUCYMS-UHFFFAOYSA-N 414.512 4.556 0 1 HJAF NCCCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1 45386340 YRHMPWROAJSCLA-UHFFFAOYSA-N 412.488 4.882 0 1 HJAF COc1ccccc1N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72101806 KJIXOOBCDORLFG-HSZRJFAPSA-N 411.908 4.794 0 1 HJAF COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1 73170209 SHQNUFDSTNIIBP-UHFFFAOYSA-N 403.360 4.744 0 1 HJAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21 82179884 MNPNWDJHBFNNDA-SFHVURJKSA-N 400.530 4.979 0 1 HJAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1 82195947 BKQPJQATBAPBCT-HNNXBMFYSA-N 421.950 4.949 0 1 HJAF COC(=O)CCSC/C=C(\C)CCn1cc(-c2ccc(C(C)(C)C)cc2)nn1 84723479 GNRONJXIGKOFMW-GZTJUZNOSA-N 401.576 4.875 0 1 HJAF C[C@@H](Nc1c(Nc2ccnc(Nc3ccc4ccccc4c3)n2)c(=O)c1=O)C(C)(C)C 101595938 SKIQDRWTRDIVMT-CQSZACIVSA-N 415.497 4.560 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1F)c1cccs1 103190383 JXMDGADBROAVJE-HNNXBMFYSA-N 408.771 4.647 0 1 HJAF O=C(NCc1ccncc1)c1cc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)ccn1 115831878 ZNDZJTJFMBHECO-UHFFFAOYSA-N 405.461 4.617 0 1 HJAF C[C@@]12CC[C@H]3[C@@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 169359162 KGFRQVJXQKRIGD-QGENRFSVSA-N 402.538 4.733 0 1 HJAF CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 205429124 ZYGPHJOZMCLUGH-UHFFFAOYSA-N 406.282 4.641 0 1 HJAF Cc1ccc(-c2cc(-c3cc(C(=O)O)ccn3)nc(-c3cc(C(=O)O)ccn3)c2)cc1 238809609 XUXRHOIPCXEGSE-UHFFFAOYSA-N 411.417 4.577 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)[C@@H]3C=C12 504687156 CMTQZHTYEISAFS-AUDYSVGQSA-N 420.597 4.740 0 1 HJAF biogenic Oc1ccc(C2(c3nc4cc(Br)cc(Cl)c4[nH]3)CCOCC2)cc1 586912030 BZEQIDHOPYFLEK-UHFFFAOYSA-N 407.695 4.781 0 1 HJAF CCCCOc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br 586959328 NCMNKJUTUFISRY-UHFFFAOYSA-N 401.326 4.557 0 1 HJAF c1ccc(C2SCCS2)c(OCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587042691 VZUHONRQUUWUHX-UHFFFAOYSA-N 400.525 4.782 0 1 HJAF N[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F 587156087 LQXIXWIVSVUQNT-HWPZZCPQSA-N 414.200 4.825 0 1 HJAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587182193 MRJXBANJZHJLHF-NSHDSACASA-N 408.287 4.579 0 1 HJAF O=C1c2ccccc2-c2cc(CSc3nnnn3-c3ccccc3)nc3cccc1c23 587208949 HFMMIFMMZUFUHY-UHFFFAOYSA-N 421.485 4.714 0 1 HJAF CC(=O)Nc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335182 KSUHBQQXZHHCCA-NOZRDPDXSA-N 417.436 4.690 0 1 HJAF CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350990 SSLQWNRBVKOOCQ-OAJKGFPOSA-N 400.446 4.771 0 1 HJAF CC1(C)CC(=O)C(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1 587351476 JWLDILPOXXHFGT-WIOPSUGQSA-N 424.468 4.613 0 1 HJAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353368 YUVDSIVJTILILU-ILCDQMISSA-N 412.457 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(COc3ccccc3Br)CCC1)O2 587378296 UCRBYXNRXHBFGU-LJQANCHMSA-N 416.315 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](NC(=O)OCc3ccccc3)C1)CC2=O 587468281 DHQATHFGEWOVGW-CJAUYULYSA-N 423.509 4.918 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1O 587549781 RQGQPARXOOYBOG-XLIONFOSSA-N 402.324 4.820 0 1 HJAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 587566458 NLOKKJJSBBZHBC-UHFFFAOYSA-N 413.193 4.778 0 1 HJAF Cc1cccc(C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587701781 CWIKVEQRXNQXEF-PIGZYNQJSA-N 417.244 4.826 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587705421 MMPHKCZMAQGGBX-JDNHERCYSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(N)c2)N1 587746666 NQJUMWGPFSNFDY-FPTDNZKUSA-N 411.318 4.997 0 1 HJAF COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C 587759466 UDSBVTNJIQNSHN-BIBXISHDSA-N 403.295 4.712 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCCC3=O)c2)N1 587764254 CQIPAIQUVVNLLT-ASSNKEHSSA-N 417.322 4.513 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587825175 GIAREXYLRUDRMH-SGMNNIIASA-N 410.327 4.619 0 1 HJAF COc1ccc([C@@H]2C[C@@]3(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587828907 AYIILJBCTOGVGN-SKOKVVANSA-N 420.322 4.878 0 1 HJAF O=C(CNc1ncc(C(F)(F)F)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587874418 ZNGQQUXXKGYDRE-UHFFFAOYSA-N 412.730 4.614 0 1 HJAF CCCCCn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc2c1=O 587876315 QPQKBCWKXYAPFZ-UHFFFAOYSA-N 418.428 4.384 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(C(=O)c1ccsc1)c1ccsc1 963060759 WSUPVENHYIBUJE-JOCHJYFZSA-N 406.532 4.639 0 1 HJAF O=S(=O)(Cc1ccccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12)c1ccccc1 963096366 NCXDWQFFJGATLE-PXDATVDWSA-N 421.537 4.910 0 1 HJAF Cc1nc(O)c(Br)cc1[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963118905 ZYDJFMFFLNKICC-MRXNPFEDSA-N 402.119 4.574 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)OC)c1c(Cl)cccc1OC 963244367 WIVZQDNNNOVSFA-MWTRTKDXSA-N 401.934 4.812 0 1 HJAF Fc1ccc(CN=c2nc(Nc3ccc(F)cc3)[nH]c(Nc3ccc(F)cc3)n2)cc1 1772588955 QVAFPONSJWBYJL-UHFFFAOYSA-N 422.414 4.810 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3C(F)(F)C2)cc1 1772618888 KUMNAAFDHBSIER-INIZCTEOSA-N 414.496 4.780 0 1 HJAF O=C(O)C1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc23)CC1 4267534 GYJAIXHAWMVGTO-UHFFFAOYSA-N 401.388 4.617 0 1 HJAF COC(=O)c1c(C[C@@H](Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2 5537762 GKFXMNJGHSNROE-HSZRJFAPSA-N 420.549 4.805 0 1 HJAF O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(Cl)cc1)N1CCOCC1 27495830 WMQJIBVENFOYCF-XMMPIXPASA-N 420.940 4.619 0 1 HJAF CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Oc4ccccc4)cc3)n[nH]2)CC1 28869245 OBTIKAOBUGEQKB-UHFFFAOYSA-N 420.513 4.926 0 1 HJAF CCN(CC)C(=O)C[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801225 SWADDJASDXOIKA-WOUAHVCASA-N 402.623 4.725 0 1 HJAF COc1ccc(-c2cc3n(c2)-c2c(-c4ccc(OC)c(O)c4)csc2C3=O)cc1O 45387027 ZBJDCUMMRMEMHI-UHFFFAOYSA-N 419.458 4.846 0 1 HJAF O=C(O)C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccc2ccccc2c1 49087954 KQRAFTVISNVKLD-LJQANCHMSA-N 401.384 4.674 0 1 HJAF CNC(=O)c1cc2c(C)c(C)n(Cc3ccccc3)c2c(OCc2ccc(F)cc2)n1 58591500 FCICMOIJRKMZEP-UHFFFAOYSA-N 417.484 4.779 0 1 HJAF Sc1nnc(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)s1 64447058 DUIXLOYGWBJZDG-UHFFFAOYSA-N 405.552 4.821 0 1 HJAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21 82179883 MNPNWDJHBFNNDA-GOSISDBHSA-N 400.530 4.979 0 1 HJAF COc1cc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2c2ccccc2)ccc1O 96932483 WYDSQVYNASYHAD-NRFANRHFSA-N 412.445 4.863 0 1 HJAF CN(Cc1nccc2c3ccccc3n(CCCCN)c12)[C@H]1CCCc2cccnc21 145703331 VBDFJRFDMOITRW-DEOSSOPVSA-N 413.569 4.833 0 1 HJAF COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 169720985 IIOHKXDENDKFQI-LEWJYISDSA-N 403.526 4.775 0 1 HJAF CCc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)CC1=O 205767257 RHTOOKUWOWYXIW-OAHLLOKOSA-N 420.431 4.576 0 1 HJAF CCOC(=O)CNc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587227435 MNMVPRIPXLSOPH-UHFFFAOYSA-N 408.683 4.621 0 1 HJAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(O)CC1 587237184 MEDJBEPIBWQMBN-UHFFFAOYSA-N 400.306 4.525 0 1 HJAF C[C@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344662 XNORNKIUYJQUHQ-ILBGXUMGSA-N 414.436 4.991 0 1 HJAF COc1cc(OC)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587345903 ACNVNGCJSRJPBT-ISKFKSNPSA-N 408.425 4.823 0 1 HJAF COC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C 587361862 CWMWUTLTFICNAT-ZSEKCTLFSA-N 415.445 4.675 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O 587426402 MVXDFSAPINQYPQ-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cc(F)ccc23)c(C(=O)OCC)n1 587634970 CFQZEIGELHGGGT-UHFFFAOYSA-N 421.428 4.513 0 1 HJAF COc1cc(F)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587722716 ZRBIDTCZHJCCDN-GIGQVBGESA-N 412.274 4.542 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCNCC2)N1 587730293 FCMYFNUUAUZVFM-ASSNKEHSSA-N 421.329 4.505 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2 587828887 ATOFGZWDOSKGDY-XXRNEEKGSA-N 420.322 4.934 0 1 HJAF CCc1cc2c(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)ncnc2s1 587869148 ANHZBZIMKQHQJZ-UHFFFAOYSA-N 405.405 4.529 0 1 HJAF CCn1ncc(C(=O)C[C@]2(C(F)(F)F)c3cc(OC)ccc3CCN2C(C)C)c1C 962094795 SQOKDNIPICFSFF-OAQYLSRUSA-N 423.479 4.517 0 1 HJAF COc1ccc([C@@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)s1 963903741 FUHARACRLOBJOV-QRWLVFNGSA-N 417.527 4.791 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H](C)C2)c1 1857638691 OLXIOSRXCGIVKZ-INIZCTEOSA-N 422.520 4.620 0 1 HJAF CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3C[C@@H](OC(C)=O)[C@@H]2C1 2356618692 CWYIAIKRFWEBHR-JSRUGDOASA-N 416.558 4.628 0 1 HJAF O=C(Cc1ccc(N2CCCCC2)cc1)NCCc1ccc(N2CCCCC2)cc1 2007726 IGZSOTNBAPYRHK-UHFFFAOYSA-N 405.586 4.569 0 1 HJAF CSc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 6494317 YCECCLNKJODIRD-KRWDZBQOSA-N 410.930 4.833 0 1 HJAF COC(=O)[C@H](NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1 13762354 MTIOIZSHSVNIRX-OAQYLSRUSA-N 402.475 4.607 0 1 HJAF C[C@@H](CO)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=CC(C)(C)O2 14586146 HRZGNXKXQGTISZ-CQSZACIVSA-N 420.461 4.551 0 1 HJAF biogenic Cc1cccc(NC(=O)c2ccc(C(=O)N[C@@H]3CCN(CC4CCCCC4)C3)cc2)c1 45202041 SAOMRPODXLMXHX-XMMPIXPASA-N 419.569 4.632 0 1 HJAF O=c1nc(Nc2cccc(Oc3ccccc3)c2)nc(NCc2ccc3cc[nH]c3c2)[nH]1 64527096 PPKBBZOWKGZWRC-UHFFFAOYSA-N 424.464 4.794 0 1 HJAF COc1ccc2c(c1O)N(c1ccccc1)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4 69482271 GWUGNKKPSKDRBY-MYCYEZBNSA-N 418.537 4.555 0 1 HJAF biogenic,in-vitro C[C@H](Cc1nsc(Nc2ccc(F)c(Cl)c2)n1)N(C)C(=O)Nc1ccncc1 82052283 LBSWZKNIHOKUHO-LLVKDONJSA-N 420.901 4.564 0 1 HJAF COc1ccc(CCNc2cc(Oc3cccc(F)c3)ncn2)cc1Br 82067360 JVZZCIZCBPHHNQ-UHFFFAOYSA-N 418.266 4.834 0 1 HJAF Fc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1 82187258 NFVFGYREIZAIDS-SFHVURJKSA-N 423.517 4.528 0 1 HJAF CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2ccccn2)c1 142508362 MYJXUMMMKWLTDS-QHCPKHFHSA-N 422.504 4.892 0 1 HJAF c1cc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2c(C3CCNCC3)c[nH]c2n1 144962823 KSOQIHRNPGQNCP-UHFFFAOYSA-N 414.557 4.722 0 1 HJAF Cc1nnc(C2CC2)n1-c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 147774498 AOHRDHGMMPRGQF-ZEQRLZLVSA-N 400.526 4.594 0 1 HJAF CC(C)(C)CC(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)CC(C)(C)C 147884673 FTUYWXJNEVZYFJ-KRWDZBQOSA-N 421.578 4.791 0 1 HJAF Cc1ccc(-c2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)o1 586902157 AZUZYMLNERVVIM-UHFFFAOYSA-N 401.207 4.798 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 586962870 ZZMWUIVVBJKEFS-KYNGSXCRSA-N 415.946 4.911 0 1 HJAF Fc1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004247 SATUZLWTFQFILR-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF CCOC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032965 WLXCHLQCHNXWHE-UHFFFAOYSA-N 416.300 4.966 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cc(C)cc(F)c3[nH]2)[C@H]1c1ccccc1Cl 587060783 DQOPUNMOUWPEFP-YCRPNKLZSA-N 415.896 4.758 0 1 HJAF N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F 587156088 LQXIXWIVSVUQNT-MGPLVRAMSA-N 414.200 4.825 0 1 HJAF CC(C)(C)c1cccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587184920 HOBJFPWWIXRWFO-OAHLLOKOSA-N 419.310 4.708 0 1 HJAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C[C@@H]1CCCO1 587196247 PIRBVRFPWIZLSO-NSHDSACASA-N 400.306 4.786 0 1 HJAF CC(C)CCOc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587242738 YPOJGZHFMSWEGJ-UHFFFAOYSA-N 417.307 4.908 0 1 HJAF CC(C)(C)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2n1 587258263 DJKGRYNXYAVJPR-SFHVURJKSA-N 401.514 4.827 0 1 HJAF COC(=O)c1coc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347902 CCYBCYNVDCCZMB-HYBUGGRVSA-N 422.408 4.502 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(c2cccs2)[C@H]1c1ccc(F)cc1 587372820 GKMRAIPVHAYKCA-SIKLNZKXSA-N 406.438 4.619 0 1 HJAF COc1cccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c1 587412310 ADIOLUJTAFMDEW-DEOSSOPVSA-N 420.534 4.627 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1Cc1ccc(C)cc1)[C@@H](C2)C3=O 587433627 ZUMJJWYNHWQCIZ-DFBJGRDBSA-N 410.473 4.890 0 1 HJAF C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582859 OLEVSKKQLSANNE-LZNRXBQRSA-N 407.510 4.767 0 1 HJAF COc1cccc(C[C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602841 ZIFFQHNNZVMYDM-RCZVLFRGSA-N 402.446 4.754 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccsc1Br 587613596 OBIQAUFKXHQNCJ-WMLDXEAASA-N 403.253 4.919 0 1 HJAF CC(C)COc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659849 GFIKWSNFFUATNL-UHFFFAOYSA-N 416.452 4.926 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(C(F)(F)F)c2)N1 587723725 XLDFNCXJGRELIM-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF C/C(=C/[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587845386 DYBMRYLBRUMJFE-POHBBVBGSA-N 409.368 4.893 0 1 HJAF CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587851489 CECMYMUGUUTREN-SIVMFRPGSA-N 424.335 4.656 0 1 HJAF O=C(Cn1nc(C(F)F)c(Cl)c1C1CC1)n1nc2cc1Oc1ccc(F)cc1-2 587873705 HQKISFNCNHRRHF-UHFFFAOYSA-N 408.767 4.800 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1cc3cc(Br)cnc3o1)N(C)[C@H](C)C2 962560429 CAJCNWCKWRMFKM-ZMZPIMSZSA-N 417.303 4.573 0 1 HJAF CC(C)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962646720 XBXCIIZZTNVBDT-CECAUBDESA-N 419.443 4.646 0 1 HJAF Cc1nc(-c2ccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)s2)cs1 962729423 IEEUDGTZSCYNIV-SUMWQHHRSA-N 408.470 4.915 0 1 HJAF Cc1ccc(N)c([C@]2(c3ccccc3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764227 KXXQOBIHSIPVDT-FYYLOGMGSA-N 410.439 4.515 0 1 HJAF C[C@@H]1C[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2cc(F)ccc2O1 962957307 NBOLRPVYPNKKBX-PEBXRYMYSA-N 421.434 4.911 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]12C(C(=O)O)=C1SCCCN1c1ccccc12 963231112 PZDCLVRBMNAFDQ-NSYGIPOTSA-N 420.578 4.840 0 1 HJAF Cc1c(O)ccc2c1[C@@](C)(c1ccc(-c3ccc(Cl)cc3)cc1)N[C@H](C(=O)O)C2 963523459 HUOKJAMCRPWVIG-GBXCKJPGSA-N 407.897 4.883 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(F)cc1)c1cc(F)cc(F)c1 963635662 NJKHPFTUEKLPPQ-SHACYNPGSA-N 413.439 4.947 0 1 HJAF C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1F)c1ccc(C(=O)O)cc1 1772623655 NJFULEFICKSYBF-LBPRGKRZSA-N 414.820 4.856 0 1 HJAF O=C(Nc1nc2ccc(C3=NCCN3)cc2s1)c1sc2ccccc2c1Cl 1857536727 UEUUEQSOPZQXDT-UHFFFAOYSA-N 412.927 4.767 0 1 HJAF Cc1n[nH]c(C)c1-c1nc2cccc(-c3ccccc3)c2c(=NCc2ccccn2)[nH]1 1857553174 NOSSHROGGWLSMC-UHFFFAOYSA-N 406.493 4.733 0 1 HJAF Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)CC(C)(C)CC1=N2 1857576008 MVKFBFYPPBPYEP-RTWAWAEBSA-N 407.514 4.899 0 1 HJAF CCOP(=O)(OCC)[C@H](N(O[C@@H](C)c1n(C)cc[n+]1C)C(C)(C)C)C(C)(C)C 1857581485 VSIKVCAIEJWCGB-WMZOPIPTSA-N 418.539 4.581 0 1 HJAF C[C@H](Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1cc(F)ccc1Cl 1911571236 AHQGCHYMHIURGD-ZDUSSCGKSA-N 416.884 4.811 0 1 HJAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(Cl)cc2)O3)c1 61908216 LVTNPCASIYUZSF-HSZRJFAPSA-N 421.884 4.693 0 3 HJAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N3C[C@H](C)N=C23)c1 3812473 NCIUZBAYZNZINS-UUOWRZLLSA-N 423.520 4.601 0 1 HJAF CC(=O)N1CCC2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 4238120 XDEKQHNKVKOWFG-UHFFFAOYSA-N 422.413 4.949 0 1 HJAF COc1cccc(NC(=O)N2CCC[C@@H](CN3CCC(Cc4ccccc4)CC3)C2)c1 13443583 CAAKBYBXQYVPII-QHCPKHFHSA-N 421.585 4.894 0 1 HJAF CC(C)C[C@@H]1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 13532825 GQMKJIVMMQHGLX-QHCPKHFHSA-N 400.526 4.609 0 1 HJAF CC(C)(O)CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2 14618655 BPXHIAACGCIWGL-UHFFFAOYSA-N 422.477 4.759 0 1 HJAF biogenic CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1 27526705 DDGQJNYCUJZJJI-UHFFFAOYSA-N 424.610 4.541 0 1 HJAF COC(=O)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 27750959 DYVFITXXIRKWHC-UHFFFAOYSA-N 418.324 4.645 0 1 HJAF O=P(O)(O)OCCCCCCCCCCCCCCCCOP(=O)(O)O 36444158 MDSRFWFZGINCHJ-UHFFFAOYSA-N 418.404 4.666 0 1 HJAF CNc1c(Br)cc([C@@H](O)C2=CCc3ccccc32)cc1Br 38142119 OTFSPAJAAGLGBA-QGZVFWFLSA-N 409.121 4.926 0 1 HJAF Cc1nc(N2CCOCC2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 38216281 CGUSMFXMNDINBL-QGZVFWFLSA-N 422.598 4.530 0 1 HJAF CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 38396069 BGUSFUGSGSBRQA-HXUWFJFHSA-N 413.308 4.795 0 1 HJAF CN1CCC(c2ccc3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)[nH]c3c2)CC1 40952393 CKQLSZGDNOQAGM-UHFFFAOYSA-N 401.489 4.822 0 1 HJAF Cc1c(CN2CCCc3ccccc32)nc(SCc2ccc(Cl)cc2)[nH]c1=O 72175243 CRQBAOMGBJMCDF-UHFFFAOYSA-N 411.958 4.977 0 1 HJAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 82146489 CEKHETZPGRPAQG-WOJBJXKFSA-N 406.574 4.806 0 1 HJAF CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@@H]1CCCO1 82187586 MQBOFAPXUCQJMQ-IBGZPJMESA-N 411.525 4.703 0 1 HJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3C)c2cccc(O)c2)cc1 100818883 KRJKWYYZMUDKJR-GOTSBHOMSA-N 404.554 4.933 0 1 HJAF NC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113655468 NHPXGPBSMLFCPF-UHFFFAOYSA-N 416.912 4.759 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586886268 OSUBYGTWFRJYLM-VFNWGFHPSA-N 411.299 4.874 0 1 HJAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586923077 XYEQLGYOLJGYDA-UHFFFAOYSA-N 402.825 4.620 0 1 HJAF CSc1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064077 LYQKISMYBKXAMY-UHFFFAOYSA-N 411.914 4.846 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587121422 CCWPVMYOUXXSAF-UHFFFAOYSA-N 405.307 4.822 0 1 HJAF Fc1ccc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1 587150279 RKZXSRDVYHWFJA-RQOWECAXSA-N 417.584 4.665 0 1 HJAF COc1ccc2c(c1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347719 PQGDXHAHWHSVER-UPVQGACJSA-N 405.425 4.610 0 1 HJAF COc1cc(Br)c2oc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587372726 QYRQCGRJYUTATF-HXUWFJFHSA-N 416.271 4.975 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418009 GINNFNOGXPOXIW-RBZFPXEDSA-N 401.249 4.881 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(OC)c(OC)c4)cc1)[C@@H](C2)C3=O 587442092 JVUDIRSFOVSOBP-DFBJGRDBSA-N 402.446 4.868 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(Br)c1C)CC2=O 587458525 KMAZXZDBUSVMBU-AWEZNQCLSA-N 404.304 4.777 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc(Br)cc13)CC2=O 587460645 VGOSYULWZASNOV-QGZVFWFLSA-N 401.260 4.690 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCCCC3)nc1OC)CC2=O 587493035 FOTPBRVDXZLOLB-QGZVFWFLSA-N 402.516 4.507 0 1 HJAF C[C@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551686 IKVUVZTWRWRIGK-OXJNMPFZSA-N 402.233 4.971 0 1 HJAF CCn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587574795 CDAAIFLFMNOUCD-YKSBVNFPSA-N 400.434 4.639 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C1/CCCO1)c1ccccc1 587608370 KLBPVRUJSYGXFY-OVITZYDZSA-N 400.430 4.944 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccsc1Br 587613594 OBIQAUFKXHQNCJ-PBHICJAKSA-N 403.253 4.919 0 1 HJAF CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587699627 LDAZUWIQBSFOOX-WYRIXSBYSA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)F)N1 587716817 DXHNGOQLJRTWSC-XLFHBGCDSA-N 418.278 4.917 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587735754 UTTKILUECMVVIL-FKIZINRSSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(/N)c2ccco2)(C(C)(C)C)N1 587746550 GWMGQEPLAXTLJJ-SCMYEKEKSA-N 407.327 4.957 0 1 HJAF Cc1nccn1-c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587752441 DUUYNAHACVYVGL-YEJXKQKISA-N 414.322 4.880 0 1 HJAF COc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587754191 DGHMGZQMQVXOAE-JEOXALJRSA-N 403.295 4.712 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(C(=O)O)cc1 587865779 IPROPPDZRIGJBV-UHFFFAOYSA-N 419.359 4.746 0 1 HJAF Cc1ccc([C@@]2(CCc3cccc(F)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962901773 SBODEMWSAMABMU-UKILVPOCSA-N 407.460 4.749 0 1 HJAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)([C@@H]1C(=O)[C@@]3(C)CC[C@H]1C3(C)C)NCC2 962914161 CTFISOXMTGSCCH-HOFFSEQDSA-N 405.586 4.574 0 1 HJAF CCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1)c1c(nc3c(c1N)CCCC3)O2 1772622040 KVQYRPWLNMXJJF-LJQANCHMSA-N 420.513 4.521 0 1 HJAF C[C@@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)NC1 2356517121 XWTNAYWYYCWVTF-DUOWHLDVSA-N 415.662 4.921 0 1 HJAF C[C@@]1(C2CCCC2)Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O 28344163 QYCMOMQQQZLZJM-FQEVSTJZSA-N 423.344 4.844 0 1 HJAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 28761790 VOPCWAQEKGAZOJ-AREMUKBSSA-N 419.613 4.818 0 1 HJAF CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](C(=O)O)c1ccccc1 38149631 XBMKRWIORLIFDX-OAHLLOKOSA-N 421.337 4.651 0 1 HJAF Clc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)co2)c(Cl)c1 72186569 GIXGGZMBGNQNKC-UHFFFAOYSA-N 402.325 4.966 0 1 HJAF COc1cc2nc(N(C)Cc3ccccc3)nc(NCCCOC(C)C)c2cc1OC 82129480 JUTKAVYHLYDAAN-UHFFFAOYSA-N 424.545 4.510 0 1 HJAF O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(Cc2ccccc2)o1 95598420 JARGLXVLCBBTBN-HXUWFJFHSA-N 413.502 4.869 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccccc45)ccc31)[C@@H]1CC[C@H](C2)N1 96175152 NWHVHIGJPJTYST-UZLBHIALSA-N 402.519 4.514 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104075828 HTJRABLRPQVITC-JXFKEZNVSA-N 401.890 4.870 0 1 HJAF CC(C)(C)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1 143939240 APFGBBFAQCAZHR-AWEZNQCLSA-N 413.465 4.874 0 1 HJAF CC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144913824 WRKTXTKEFQPNID-JOCHJYFZSA-N 416.443 4.520 0 1 HJAF CCN1CCc2nc3ccc(C#N)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1 205311162 BHHKINOUCSOPMW-UHFFFAOYSA-N 406.917 4.759 0 1 HJAF O=S(=O)(Oc1ccccc1)[C@@H]1C[C@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1 253678164 SMXPPKCVRDKVBA-PQNGQFLHSA-N 404.487 4.546 0 1 HJAF Cc1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 586996597 HRTHWFUDKMCYJP-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF Nc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)sc2cc(Br)ccc12 587031456 NTYJDBVTGAAVEY-UHFFFAOYSA-N 406.236 4.627 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cc(C)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl 587060644 BUCAYIMXMJNUCR-YCRPNKLZSA-N 415.896 4.758 0 1 HJAF Fc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587178826 MEFSYNBJNRHXHJ-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)C1CCCC1 587226866 VKMRHTHQYVXAJU-CYBMUJFWSA-N 410.312 4.787 0 1 HJAF Nc1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587250121 HNWDMNOVFQCNTB-UHFFFAOYSA-N 417.412 4.773 0 1 HJAF CC(C)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338948 QSLTXXCXEOJOAR-ZCYQVOJMSA-N 405.469 4.784 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4ccccn14)[C@@H](C2)C3=O 587428391 MUYOQOUYKZBCAU-XDHUDOTRSA-N 400.409 4.638 0 1 HJAF Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531110 IJPCXORGOXILFE-FPVCCHAOSA-N 402.446 4.652 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(C(F)(F)F)c1 587549863 SEPOXBLUJAVPJG-FXAWDEMLSA-N 402.324 4.820 0 1 HJAF Cc1cc(Cl)cc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551590 HHLVVPFSWMITBQ-CVDCTZTESA-N 408.837 4.994 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1ccccn1 587574042 YDXFJDXKIJLCAH-RDGATRHJSA-N 413.404 4.832 0 1 HJAF CCOc1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587587748 HNVDULPNFUEMDD-QPPBQGQZSA-N 401.418 4.975 0 1 HJAF CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 587592559 AGOUUMQQCWBNKL-DHLKQENFSA-N 402.446 4.983 0 1 HJAF COc1ccc(Cl)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(F)(F)F 587650421 VENGFVPUUAVHJX-UHFFFAOYSA-N 403.809 4.919 0 1 HJAF CCOc1ccc(-c2nn(-c3cc(C)ccn3)c(=O)c3ccccc23)cc1OCC 587668885 HOJTYHLDUHZTTO-UHFFFAOYSA-N 401.466 4.554 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1 587711540 HJHZIIPJUDRECP-JDNHERCYSA-N 403.217 4.800 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1 587745177 VQUJIENVUJNVNY-ADLMAVQZSA-N 420.326 4.591 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccccn2)N1 587755330 OUMJUTARGPUMOD-SPLOXXLWSA-N 414.322 4.651 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1 587762911 GUKVMOLWAMXIJO-RRBXVBTKSA-N 406.343 4.946 0 1 HJAF CC(=O)Oc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587808465 GUXMVBKVMNVWTH-MPBGBICISA-N 406.295 4.754 0 1 HJAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc3cnccc3c2)N1 963178468 LCYQZFYJRGXCSV-CRAIPNDOSA-N 406.791 4.595 0 1 HJAF O=C1c2ccccc2[C@]2(NCCc3ccc(O)cc32)[C@H]1c1ccc(Br)cc1 963352958 NURKEPRHVBUXKI-JTHBVZDNSA-N 420.306 4.524 0 1 HJAF COc1ccc(OC[C@H]2c3ccc(OC)cc3CC(=O)N2CCCC(F)(F)F)cc1 1911580896 QBPOCYLWPVBMKO-FQEVSTJZSA-N 423.431 4.551 0 1 HJAF CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2C=C[C@@H]1O 2356589283 WLRAIWMXLNQMDK-GMAHTHKFSA-N 410.466 4.799 0 1 HJAF C[C@H]([C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356690047 KEQHTOUDMQKLFW-XOHGRICLSA-N 401.635 4.916 0 1 HJAF COc1cc(-c2cc3nc(NCc4cccc(Cl)c4)ccn3n2)cc(OC)c1OC 61927992 DNBOISXFEQNFHC-UHFFFAOYSA-N 424.888 4.688 0 3 HJAF Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(OCC(=O)O)cc1 13489477 HNHWLGWZEJRCKM-UHFFFAOYSA-N 407.344 4.711 0 1 HJAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1C[C@@H]1C(=O)Nc2ccccc21 28242897 CTQOKAYZEWKBNS-UWJYYQICSA-N 415.880 4.624 0 1 HJAF CN(C)CCN(Cc1ccc(-c2ccc(CN)cc2)cc1)C(=O)CCC1CCCC1 28460557 XSWXZEHMCGKJBZ-UHFFFAOYSA-N 407.602 4.673 0 1 HJAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CC2CCNCC2)ccc1Cl 28825945 VPHJZPZBRPTDJE-UHFFFAOYSA-N 400.994 4.828 0 1 HJAF Cc1c(C(=O)c2csc3ccccc23)c2ccccc2n1CCN1CCOCC1 36127053 JAJHMPAEGHEZIQ-UHFFFAOYSA-N 404.535 4.728 0 1 HJAF Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 40898291 NVJBRKUSNQZNKX-UHFFFAOYSA-N 410.528 4.755 0 1 HJAF O=C(NCC1CC1)C1CCN([C@H](c2ccccc2)c2nc3ccccc3s2)CC1 45168993 BKOIPIODTIVJMZ-JOCHJYFZSA-N 405.567 4.624 0 1 HJAF O=C1O[C@@H](COc2cccc(Br)c2)C=C1c1ccc(Br)cc1 45354809 BELRZSVSARZFSM-OAHLLOKOSA-N 424.088 4.599 0 1 HJAF CCOP(=O)(OCC)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)ON1C 71329532 SRAVNGAZNJFLOC-HMXCVIKNSA-N 403.415 4.696 0 1 HJAF CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc2c1OC(C)(C)[C@H](O)C2 72107996 AEHJHBXVNUEEJH-JTHBVZDNSA-N 408.494 4.682 0 1 HJAF biogenic COc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3)n2)cc1 82132827 MFXOJOBIWNWFFR-UHFFFAOYSA-N 418.541 4.535 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)C1 82133325 UOONZKNESGEHCL-YRPNKDGESA-N 406.574 4.744 0 1 HJAF O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1CSCc1ccccc1 82232193 OZTURMJRNSOMKT-RXVVDRJESA-N 420.582 4.911 0 1 HJAF CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95577613 LAPXCBVJZPQGLN-OAQYLSRUSA-N 416.924 4.640 0 1 HJAF Nc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccccn2)n1 95579442 QKBNFYBDQKJICZ-UHFFFAOYSA-N 423.455 4.801 0 1 HJAF CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)nc1N 103267320 RDODCYMNRWTHJS-UHFFFAOYSA-N 417.469 4.649 0 1 HJAF O=C(C[C@@H](C(=O)O)C1c2ccccc2-c2ccccc21)NCCc1c[nH]c2ccccc12 103278069 CCLLFSJSPTWTOH-HSZRJFAPSA-N 424.500 4.730 0 1 HJAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 105173404 DMDNPELBRRZIGL-UDDWMFPDSA-N 418.585 4.853 0 1 HJAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@@H]2CC[C@@H]1N2C 169346304 LUFCSMMNKWCPJV-CYJAXWMASA-N 420.372 4.917 0 1 HJAF O=C(Nc1ccccc1)[C@H]1CC[C@@]23CCN(CC4CC4)C[C@@]2(Cc2ccc(O)cc23)C1 169727648 YLMCBOPBZSKALW-KWTBFXGESA-N 416.565 4.727 0 1 HJAF CCCn1c(Oc2cccc(C(F)(F)F)c2)nc2nc(C3CCCC3)[nH]c2c1=O 205146362 WIJBSDWAEYSXRC-UHFFFAOYSA-N 406.408 4.998 0 1 HJAF c1cc2c(cc1-c1nc(Cc3nc4ccc5c(c4[nH]3)CCCC5)cs1)OCCO2 587019056 UFSWJSHWNYVCEL-UHFFFAOYSA-N 403.507 4.927 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587044060 YHVRCJQBCXTACY-JTQLQIEISA-N 411.122 4.872 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc12 587050273 HDQYZVZJUGLZII-UHFFFAOYSA-N 407.699 4.944 0 1 HJAF Cc1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12 587089041 WKUHOJQJHKJVGB-UHFFFAOYSA-N 400.871 4.503 0 1 HJAF Nc1c(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1F 587135072 RUXLRPOOMCHOGD-UHFFFAOYSA-N 403.024 4.615 0 1 HJAF CC1=C(c2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 587195288 DBGOMXQTARGESH-UHFFFAOYSA-N 423.520 4.525 0 1 HJAF O=C(O)Cc1c(CCC(=O)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587207848 XLIVYKCVMWLNCO-UHFFFAOYSA-N 421.452 4.889 0 1 HJAF N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1cccc2ccccc12 587258675 QMQNVUGQMWTBGV-INIZCTEOSA-N 413.262 4.563 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)CCC(=O)OCC)c1)CC2=O 587484448 RQYFOIQDPZQHGP-QFIPXVFZSA-N 410.466 4.577 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(Cl)c(Cl)c1 587543529 KRQVFRJYYLPLMN-WIYYLYMNSA-N 417.244 4.548 0 1 HJAF CC(C)COc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br 587566320 GRKOZVOZCANFQY-UHFFFAOYSA-N 417.303 4.794 0 1 HJAF C[C@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581963 YBEJRQZBCPAZGG-WIOPSUGQSA-N 423.509 4.732 0 1 HJAF COC(=O)c1ccc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587691837 IWGYGKPSBWOLLD-XLFHBGCDSA-N 412.686 4.652 0 1 HJAF Cc1nn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587693721 FESOCLJZKCCQLE-XYZCENFISA-N 400.723 4.505 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1 587723793 XWJICWWYBGLIMV-PWJLMRLQSA-N 420.200 4.816 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(F)cc2)N1 587737573 YBWZURQLDNYRRG-GKKXHGIXSA-N 407.302 4.580 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587837117 ZLUQRKQOHYALJU-ASSNKEHSSA-N 420.322 4.937 0 1 HJAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587852507 LWQCEEAJZHMYFS-SREIQFSDSA-N 420.145 4.739 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NC(C)=O)cc1 587857856 AXFNWFVHJYGVDP-UHFFFAOYSA-N 418.280 4.903 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(Cl)o1)N(C)[C@@H](C)C2 962628764 QEODVLZXZSJEBC-FVMDXXJSSA-N 400.700 4.679 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(-c3cccc(OC(F)(F)F)c3)o2)N1 962898932 PGLPTDYJJHUJLJ-LPHOPBHVSA-N 421.346 4.673 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(OC)c3oc(C(=O)O)cc23)N1 962949571 PVSFPVZTRXJXOH-OZAJXLCCSA-N 404.466 4.809 0 1 HJAF COc1cccc2cc3c(nc12)[C@](C)([C@@H](C)N1CCCc2cc(C)ccc21)NCC3 963027739 AKSDSLMWHDJWPM-DWXRJYCRSA-N 401.554 4.754 0 1 HJAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCCCCCC21CC1 963136831 GUWHMVCQTAICEP-YCRPNKLZSA-N 406.548 4.719 0 1 HJAF CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)CC1 1772588261 LWSPHJKMWOBFHJ-IZAXUBKRSA-N 422.504 4.684 0 1 HJAF CN1C(=O)S/C(=C\c2cc(Oc3ccccc3)c(O)cc2Br)C1=O 1857574809 FTWNFNKLBIPWQK-NVNXTCNLSA-N 406.257 4.613 0 1 HJAF O=C(N1CCN(c2cnccc2-c2ccccc2)CC1)N1CC[C@@H]1c1ccc(F)cc1 1857580898 IVSDSVLGMPLSND-HSZRJFAPSA-N 416.500 4.577 0 1 HJAF O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(CO)cc2)CC1 1857762188 CCKSFKOAEUXOBY-RZDIXWSQSA-N 424.419 4.589 0 1 HJAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)no2)c1F 1857771805 VLVWDANWASIWTK-UHFFFAOYSA-N 406.388 4.965 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@@H](N)C2 2356851519 SHKSOHJKHSOZCN-HJHBYYFJSA-N 412.642 4.910 0 1 HJAF CCOc1cc2nc(=S)n(CCN3CCCC[C@@H]3CC)c(O)c2cc1OCC 253530867 IDQXBRUHECKQOF-HNNXBMFYSA-N 405.564 4.533 0 3 HJAF Cc1coc2cc(OCCCN3CCC(C(=O)c4ccc(F)cc4)CC3)ccc2c1=O 1543265 ZQIDWYHAGMEIHU-UHFFFAOYSA-N 423.484 4.604 0 1 HJAF CCc1ccc(OC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1 2920020 NOYAXVCGWFMRLF-UHFFFAOYSA-N 422.481 4.735 0 1 HJAF Cc1cccc(C)c1N1CCN(CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 13473695 MXCOLZHACUEKRL-HHHXNRCGSA-N 417.597 4.822 0 1 HJAF c1ccc(-c2nn3c(c2-c2ccnc4cc(OC[C@@H]5CCCO5)ccc24)CCC3)nc1 14976407 DPLZBVCTGRIVBN-SFHVURJKSA-N 412.493 4.664 0 1 HJAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CCC[C@H]3C)cc2)c1 27526876 MUYVMBBQJGYFGP-IVZQSRNASA-N 401.890 4.852 0 1 HJAF Cc1oc(-c2cccs2)nc1CCC(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1 29552223 VNWSGZJQSZQJFX-WQRHYEAKSA-N 424.503 4.851 0 1 HJAF CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)C(C)(C)O3 40752854 MDUQZKJGFROTKT-JSJPKNAYSA-N 400.515 4.538 0 1 HJAF CC(C)(C)n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O 40847967 YKKBPVRVBPWWHG-UHFFFAOYSA-N 420.444 4.663 0 1 HJAF N=C(N)c1ccc(OCc2ccc3ccc(COc4ccc(C(=N)N)cc4)cc3c2)cc1 43009573 YCPDQZBSJVRGBD-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF CCNc1nc(N2CCC(Cc3ccccc3)CC2)nc2cc(OC)c(OC)cc12 82131454 YBSBKBYNQQUSDY-UHFFFAOYSA-N 406.530 4.538 0 1 HJAF COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(N)c4)cc3)ccc2c1 82156738 QXPNQCMHUYGYIP-UHFFFAOYSA-N 404.491 4.898 0 1 HJAF NC(=O)c1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 98083271 RLHYFWQBEQNKJA-UHFFFAOYSA-N 416.868 4.544 0 1 HJAF CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cnc2n1 147062243 JZBKPHTXKRZFGY-UHFFFAOYSA-N 410.497 4.739 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586988669 VGGREDIJTYQLLW-AWEZNQCLSA-N 416.477 4.876 0 1 HJAF CCOC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C1CCCC1 586989428 IMIIRLJJDOFASV-NRFANRHFSA-N 401.462 4.989 0 1 HJAF O=C(CCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Cl)cn1 587082117 KTLPEPRJFHEFNA-UHFFFAOYSA-N 418.753 4.866 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1 587217290 BWEWPVBQRQTFFM-GOSISDBHSA-N 424.273 4.984 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl 587693240 MVZUNQIXGYJGPO-DYBLOJMWSA-N 414.702 4.882 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl 587696919 VACLDAHJAQMMNP-VVVCHXIZSA-N 414.702 4.882 0 1 HJAF CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742475 LDXNVMKNLZUGQU-YUNKPMOVSA-N 405.311 4.653 0 1 HJAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587767875 ZCHWQWAHLRJQED-ASSNKEHSSA-N 414.322 4.880 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848940 QBSPALSCVHOGCO-XTZNXHDOSA-N 412.324 4.601 0 1 HJAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653797935 VGNKBVUEYVJVLE-INIZCTEOSA-N 407.432 4.767 0 1 HJAF COc1ccccc1[C@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962635488 RTYBWMQNOJMGOU-VOIUYBSRSA-N 409.551 4.942 0 1 HJAF COC(=O)C1=C[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(Cl)ccc2O1 962671641 UFLZTUFPGHYYTO-RUZDIDTESA-N 417.892 4.846 0 1 HJAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3cnc(Cl)cc3c2)N1 962698548 MZTGJEPHGQXWKV-FUHWJXTLSA-N 424.781 4.734 0 1 HJAF O=C(c1ccc(F)cc1)c1cc2cc([C@@H]3NCCc4nc5ccccn5c43)ccc2o1 962989383 ZZNKWIXOAMJNEE-QHCPKHFHSA-N 411.436 4.686 0 1 HJAF CCCc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3nc4ccccn4c32)cc1 962990710 SUGQIBKHTZUOIO-XMMPIXPASA-N 402.929 4.773 0 1 HJAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)nc1Br)N[C@H]1CC[C@H]21 962991022 DBXHVBOJBHRBLR-WPGHFRTFSA-N 413.237 4.810 0 1 HJAF COc1cc(N(Cc2ccc(Cl)cc2)CC2CC2)ccc1C(=O)[C@H]1C[C@H]1C(=O)O 1772585028 PWUXCBGKWGLWDX-VQTJNVASSA-N 413.901 4.669 0 1 HJAF CN1CCN(c2cc3c(cc2F)c(=O)c(-c2cccc(Cl)c2)cn3C2CC2)CC1 1772585776 UBIDDVICDCKLLB-UHFFFAOYSA-N 411.908 4.548 0 1 HJAF O=C(/C=C/c1ccccc1)Nc1ccc2[nH]nc(-c3ccc4c(ccn4CCO)c3)c2c1 1857552866 NASYVQGINLRCGM-IZZDOVSWSA-N 422.488 4.829 0 1 HJAF O=C(NOCc1ccccc1F)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1857615737 MZPCJQUUDIWZTK-UHFFFAOYSA-N 405.404 4.679 0 1 HJAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 2356341362 MLTYJMYPDLQLJF-DCGZEMBHSA-N 418.574 4.708 0 1 HJAF COC(=O)c1cc(OC)c2cc(O)c3c(c2c1O)[C@H](C)[C@@H]1[C@@H](C(C)C)CC[C@]1(C)O3 2356586034 JVSMFQFBSQVHOE-IFXYDWPUSA-N 414.498 4.983 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c2c1[C@@H](O)c1c(O)ccc(CC=C(C)C)c1OC2=O 2356787754 BQQHWQSIRBABAE-QFIPXVFZSA-N 424.493 4.874 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356827267 HOYDPSPJTCNOEF-MMBAFJEPSA-N 408.582 4.807 0 1 HJAF CSc1ccc(CN2CC[C@@]2(C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 61897970 PQCIRLJKGJOHMN-FQEVSTJZSA-N 408.489 4.708 0 3 HJAF COc1cc(OC)cc(-c2oc(=O)c3cc(OC)c(OC)cc3c2C(F)(F)F)c1 61969008 KYCCKYAFTIXCTC-UHFFFAOYSA-N 410.344 4.513 0 3 HJAF COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccccc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 206035630 IRZREWIVNDHEMQ-GPHILITQSA-N 420.509 4.549 0 3 HJAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2482125 DZLNFTRJZXKSSP-UHFFFAOYSA-N 409.244 4.831 0 1 HJAF O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccc(Cl)c(Cl)c1 28521595 PEPNLUGXUMBWDE-ZDUSSCGKSA-N 424.353 4.570 0 1 HJAF CC(=O)NCn1cc(-c2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)c(=O)o1 28525631 ZWUQWORHUUAHKO-UHFFFAOYSA-N 400.434 4.661 0 1 HJAF Cc1cc(-c2cccc(NC(=O)CC(C)C)c2)n2ncc(C(=O)c3cccs3)c2n1 28819313 IPWJIBQJIVMHQY-UHFFFAOYSA-N 418.522 4.982 0 1 HJAF CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@H](O)CO)cc2Oc2ccccc21 33889755 JJRNTCBZXIPXTL-GOSISDBHSA-N 404.462 4.599 0 1 HJAF CC(C)(C)c1ccc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 34635956 UGQHQQHLNZVKEI-UHFFFAOYSA-N 403.452 4.601 0 1 HJAF Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)c(Cl)c1 35002803 BJBYNSFIAXPSHH-UHFFFAOYSA-N 407.326 4.922 0 1 HJAF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccccc1)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088111 BXNNFPHCTNPRQD-FHMNWOSBSA-N 402.538 4.733 0 1 HJAF Cc1c2c(cc3c1C(=O)CC(C)(C)O3)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 48999008 LBLDXSZDCOFIAT-UHFFFAOYSA-N 416.813 4.544 0 1 HJAF biogenic,in-vitro COc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1 49113911 LNCIRKANLWFJFG-UHFFFAOYSA-N 420.900 4.536 0 1 HJAF COc1cc([C@H]2NC(=O)Oc3ccc4oc5ccccc5c4c32)cc(OC)c1OC 72172361 JNZAVQZZNCTXQT-OAQYLSRUSA-N 405.406 4.803 0 1 HJAF CC(C)=C[C@@H](C)C/C=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 95912799 ZXALVCPICGWIFY-IHMJFIQFSA-N 424.493 4.959 0 1 HJAF biogenic,in-vitro CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCCCCC1 169720800 XKTHQCXRSXSLFT-MOPGFXCFSA-N 405.329 4.904 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255243885 NEMWYOKGHGSVSC-GOJJFARDSA-N 415.662 4.563 0 1 HJAF NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cc(-c3ccccc3)ccn2)CC1 257935928 SXSVRFOIMBZCKK-WHSBFGAESA-N 413.565 4.914 0 1 HJAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](C)[C@H]3O 261139968 MXZOUETYQZMNJY-JYTHPDFDSA-N 406.607 4.724 0 1 HJAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587051953 WJJNZKCIBMPQPV-LSDHHAIUSA-N 402.325 4.973 0 1 HJAF Cc1nn(-c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)c(C)c1Cl 587064597 DWQRDJVPNBJLLP-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF O=C(O)CCC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104741 VNDVSCGZTRSBIE-UHFFFAOYSA-N 422.440 4.917 0 1 HJAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418515 INYDZKWRGJVAJB-XSKGNTKESA-N 404.293 4.720 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccccn1)[C@@H](C2)C3=O 587419245 UAXBYYXYBSOWGF-JTSKRJEESA-N 422.278 4.544 0 1 HJAF CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453392 YUYJVIICIBEPPO-RLWLMLJZSA-N 414.457 4.647 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3oc(N)nc3c1)CC2=O 587473364 SOGWTIJKYXSZOZ-VWLOTQADSA-N 414.461 4.977 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1C(=O)O)CC2=O 587479942 DDUQJPMMVYLLLF-VWLOTQADSA-N 402.446 4.952 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2cccnc2)Oc2cc(O)ccc21 587489377 LQYWTUWKELZYQP-HGKWLZTNSA-N 415.445 4.740 0 1 HJAF COc1cc(OCCCC(=O)O)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520473 CKAPEWFGMPHOCC-JOCHJYFZSA-N 410.466 4.524 0 1 HJAF Cc1ccc(/C(=C\N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574828 ZATJCJOXHXSXEF-FQSOMRFFSA-N 401.462 4.634 0 1 HJAF Cc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587589199 WGHTYRPXUYRIDA-QPPBQGQZSA-N 410.429 4.861 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc3c(cc12)CCC3 587609212 MYOHYBCFSPBPPA-OZXSUGGESA-N 414.457 4.911 0 1 HJAF Cc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587610623 QBFLOVIXQZJTBU-GBXCKJPGSA-N 400.386 4.510 0 1 HJAF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c(C(=O)O)cccc12 587638378 KIQIFVDZPNJQCD-UHFFFAOYSA-N 406.221 4.586 0 1 HJAF CCc1cc2c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ncnc2s1 587662621 OMOZMVIILMKNLA-UHFFFAOYSA-N 402.454 4.759 0 1 HJAF Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587682663 UXLGLNJRHXYBAF-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587698093 HRRQJMDFKMFMKD-WYRIXSBYSA-N 410.714 4.999 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699971 TWVZUEJZDALFQB-XXFAHNHDSA-N 400.723 4.780 0 1 HJAF Cc1cccc(C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587706425 PYYCAWYYOHIMMT-DIFFPNOSSA-N 417.244 4.826 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(F)c(F)c2F)N1 587718140 HXOZERQKITXWDD-IWEMQMMOSA-N 406.192 4.942 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743148 VXRNUSAKSKCHRC-LRTDBIEQSA-N 421.354 4.672 0 1 HJAF Cc1noc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587789907 AUTBMWGEUKMLMS-MLCYQJTMSA-N 402.267 4.570 0 1 HJAF CCOC(=O)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795797 JKMMEYYASYZUIM-LHSJRXKWSA-N 420.322 4.514 0 1 HJAF CC(C)CNC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3ccccc23)cn1 653843527 VAXGOSASWRIFFT-JOCHJYFZSA-N 420.561 4.854 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(OC(F)(F)F)c2)N1)C(F)(F)F 962731252 QRWSEROEYVXOCE-ZFWWWQNUSA-N 423.740 4.974 0 1 HJAF COc1ccc([C@]2(CC(=O)C(F)(F)F)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963095619 DEINYCIMFZBARZ-HRAATJIYSA-N 407.407 4.620 0 1 HJAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21NCCc2c(Cl)cc(Cl)cc21 963101449 BAQZZUVBCHETHT-HSZRJFAPSA-N 424.283 4.674 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2c(-c3ccccc3)cc3ccccn23)N1 963223327 AGBOZUADRAXHES-DQEYMECFSA-N 419.484 4.843 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1)N1CC[C@H](F)C1 1772649602 GJIPOROCDOMYPF-ZDUSSCGKSA-N 405.351 4.625 0 1 HJAF Cc1c(O)c(-c2c(O)c(C)c3c(c2O)CO[C@H](C)[C@@H]3C)c(O)c2c1[C@H](C)[C@H](C)OC2 2356751834 QQSDXJQCNPKBHF-DHPDLVEQSA-N 414.498 4.837 0 1 HJAF CC(C)C[C@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 72137527 HBABQTRQPFJYJM-INIZCTEOSA-N 414.354 4.991 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCC 4213782 NKPHOSILLFLLCD-UXHICEINSA-N 420.550 4.643 0 1 HJAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NCCc3ccccc3)C2)c(C)o1 5055828 JIPLIPDIWOIHNY-JOCHJYFZSA-N 417.553 4.529 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 13378649 WTGUNSGYPQJOLT-QNIAMRLHSA-N 424.493 4.605 0 1 HJAF biogenic CCC[C@@H](CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 13973076 QFEXPKRHMFCDGL-FQEVSTJZSA-N 407.514 4.832 0 1 HJAF COc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@H](c3ccco3)CC4=O)n2)cc1 21365647 GFRXRERCUFWRAV-AWEZNQCLSA-N 418.474 4.680 0 1 HJAF COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 28819749 NNOWVTHMEZYXKN-UHFFFAOYSA-N 414.933 4.620 0 1 HJAF O=C1N(CCCCCOc2ccc(Br)cc2)CCN1c1ccccc1 29401542 HBLZWHWSFYFTNQ-UHFFFAOYSA-N 403.320 4.940 0 1 HJAF O=C1Nc2cc(F)ccc2[C@H]1CCCCN1CCN(c2ccc(Cl)cc2)CC1 35860082 HTDJOEOPMIBGKQ-HXUWFJFHSA-N 401.913 4.507 0 1 HJAF CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2 36271195 IIVLONMULFPENV-QJXQVQFTSA-N 414.549 4.991 0 1 HJAF COc1cccc2c(-c3c(O)cc(OC)c4c(C)nc(CO)cc34)c(C)cc(O)c12 36409464 OROUNLQXXAREPA-UHFFFAOYSA-N 405.450 4.593 0 1 HJAF biogenic CN1CCN(Cc2ccc3c(c2)Cc2c(-c4cc5ccccc5s4)n[nH]c2-3)CC1 40566844 LPYBJJSSAXUWEA-UHFFFAOYSA-N 400.551 4.610 0 1 HJAF CCC[C@H](c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1)N(C)C 40972958 CHVQVAXQDCWTRP-LJQANCHMSA-N 404.493 4.582 0 1 HJAF COc1cccc(CNC(=O)C2CCN([C@H](C)c3ccc4ccccc4c3)CC2)c1 53296889 BIQUQYCSENVAEU-LJQANCHMSA-N 402.538 4.938 0 1 HJAF FC(F)(F)c1ccc([C@@H](NC2CCN(c3nccs3)CC2)c2cccnc2)cc1 72101017 ZHSNUXZQQLLCKH-LJQANCHMSA-N 418.488 4.905 0 1 HJAF CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@@H]1CCCN1C 82177862 CDWBJJCACWJGIX-SFHVURJKSA-N 412.969 4.699 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCc1ccccn1 82178088 ALRQRANGXJPYFL-LJQANCHMSA-N 414.557 4.878 0 1 HJAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 95559163 XEBQRXWVUKTLHL-NRFANRHFSA-N 402.425 4.588 0 1 HJAF COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 141596138 OPNCBMYHRCYEGA-STIJMGRHSA-O 424.653 4.669 0 1 HJAF C[C@@H]1OC(=O)[C@H]2[C@H]1[C@@H](O)C[C@@H]1[C@]2(C)C(=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 141615300 WJSGBVFFQLYGRE-RTOZHXQVSA-N 416.602 4.773 0 1 HJAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(Cl)c1C 142742723 UINHMBVXGRVPJH-UHFFFAOYSA-N 408.864 4.539 0 1 HJAF Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C 169351444 ZZNYQOUFLKFQTC-UHFFFAOYSA-N 400.471 4.784 0 1 HJAF Cc1cc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Br 586975806 FYMVHLGVESVDMB-UHFFFAOYSA-N 405.605 4.638 0 1 HJAF COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1C 586984250 DDVDWSQCHMQRDA-LJQANCHMSA-N 400.320 4.828 0 1 HJAF Cc1c(Br)cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1C 586984343 PWZVJPVHHFOCTO-CQSZACIVSA-N 423.152 4.947 0 1 HJAF O=C1c2ccccc2-c2c(CCCC3OCCO3)c(C3CC3)nc3ccc(O)c1c23 586990945 JHDONERUMBVTFI-UHFFFAOYSA-N 401.462 4.725 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587035428 WINHOXAKJWHTRJ-CQSZACIVSA-N 411.458 4.886 0 1 HJAF FC(F)(F)c1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12 587039314 COGMEJRSUDXDGN-UHFFFAOYSA-N 401.211 4.644 0 1 HJAF O=S(=O)(c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1)C(F)(F)F 587081756 ZXNUVMZVUWPEEA-UHFFFAOYSA-N 413.808 4.513 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)nccc4[nH]3)nc2n1 587114812 ITZYHTYHPKIZIP-UHFFFAOYSA-N 406.437 4.732 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(C)=O)cc4[nH]3)c(F)c2)c1 587147177 JUTRFIAELBKJBC-UHFFFAOYSA-N 404.397 4.945 0 1 HJAF CC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587331043 DAKUZFBGEFKJCQ-ISKFKSNPSA-N 405.425 4.764 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC[C@@](F)(Cl)C(F)(F)Br)O2 587381447 JBVZDRZKLHJJOR-KGLIPLIRSA-N 414.649 4.974 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccc(F)cc5)sc41)[C@@H](C2)C3=O 587428528 NUNZVCRYIYRCQO-QMHKHESXSA-N 407.466 4.937 0 1 HJAF COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443312 ODZFBNUBVPWVLW-QFQXNSOFSA-N 414.457 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C)Cc1cccc(Cl)c1)CC2=O 587461671 LORTVVRGUBPKPH-QHCPKHFHSA-N 415.917 4.771 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(OCC)c(F)c1)CC2=O 587469013 ZRUDFTKNKDXMCH-NRFANRHFSA-N 410.445 4.979 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 587475872 QOPQBUJXIUAIIB-YWTKSJFSSA-N 415.530 4.716 0 1 HJAF O=C(C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1cccnc1 587511553 LQAKMJSFDXIKJD-AREMUKBSSA-N 412.489 4.850 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccccn1 587576633 KCFIGATTZJMSSE-RCZVLFRGSA-N 412.445 4.534 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)F)cc2)N1 587714067 GANOHXGAQNBTBA-XTZNXHDOSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)n2)N1 587739749 VSGCRYAGKZOIPO-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1 587754829 NBNVDYIGKNTMAY-MPBGBICISA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2-c2ccccc2)N1 587755883 BGVXZFDSFYJYKV-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1 587770894 RSWJKHZOMAWGOW-RXMKGDSKSA-N 407.371 4.887 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OCC3CC3)c2)N1 587811319 WUDRABMEHYOBQD-GIPWTMENSA-N 406.295 4.706 0 1 HJAF COc1cc2c(cc1OC)[C@](C)(C[C@](O)(c1ccccc1)C(F)(F)F)N(C)[C@H](C)C2 962576409 XCZWGXBLRBVQFU-YDFBLROQSA-N 423.475 4.636 0 1 HJAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCC[C@@H](c3ccccc3)C2)N1 962636247 QCCIUPPRAAUDCC-JJXUHFIVSA-N 405.416 4.737 0 1 HJAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3ccc(-c4cccnc4)nc3)C2)cc1 962637858 KGURBBPAQJHCNQ-LSYYVWMOSA-N 418.544 4.980 0 1 HJAF Nc1ncc(C2=CCCCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772639077 CIKJSPNGKMXHLC-UHFFFAOYSA-N 402.473 4.752 0 1 HJAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@@H]2C(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O 2356617513 HLAZCJDVEHCLSE-KTOCKBEESA-N 400.559 4.873 0 1 HJAF COC(=O)[C@H]1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 970167 FYASEYBMRPOWCR-JOCHJYFZSA-N 415.880 4.571 0 3 HJAF Cc1ccccc1CN1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(Br)c1 61924036 IXALHEPBKLLGQA-JBACZVJFSA-N 401.348 4.566 0 3 HJAF Fc1ccc(/C=C(\CCN2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1 27522732 GWZMKOHHPGERJI-DYTRJAOYSA-N 406.480 4.508 0 1 HJAF CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21 29053280 KJUWYOUVPTVRFN-XMMPIXPASA-N 411.977 4.932 0 1 HJAF CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 40564925 FIOZUJXSEZUYCS-BUNJWILASA-N 420.590 4.804 0 1 HJAF NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2[C@H]1CCc2ccccc21 49066571 IBRALHCLGALHAA-NRFANRHFSA-N 416.912 4.936 0 1 HJAF O=C(c1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72139884 PZJLJXMLBBAZHP-UHFFFAOYSA-N 418.884 4.958 0 1 HJAF O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc(Cl)cc1 72175190 QOSUEFJQYBOCSK-HNENSFHCSA-N 403.309 4.690 0 1 HJAF COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCCC3)n2)cc1 73196817 IYBJEGSSKQTJDP-UHFFFAOYSA-N 409.465 4.720 0 1 HJAF CN(Cc1cccc(Cl)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84652090 FBEPIXKVPLNZQN-UHFFFAOYSA-N 405.885 4.785 0 1 HJAF CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 95594014 PVZCSXONLNLGFG-ZWDAVXSWSA-N 423.523 4.712 0 1 HJAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@H]1COc2nccc(C(F)(F)F)c21 146658582 WHPCSQFLVIYRBA-ZDUSSCGKSA-N 405.203 4.508 0 1 HJAF O=C(CC1CC1)N[C@H]1CC[C@@H](c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 168003274 PVGRKDYKRGNCSA-LBZQVFOQSA-N 418.541 4.572 0 1 HJAF Brc1ccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307885 OTENTFSNOVQGTF-GOSISDBHSA-N 409.287 4.706 0 1 HJAF CCN(CC)[C@H](CO)C[C@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12 169335285 LBDKKUOQSWHHME-YWZLYKJASA-N 404.963 4.743 0 1 HJAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)CC2)nc2ccccc12 261151663 PCMKFHUKCPUDQK-HDICACEKSA-N 423.948 4.502 0 1 HJAF O=[SH](=O)Cc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)cc1 261157464 QFCRCXPHNIPBCW-DEOSSOPVSA-N 423.965 4.624 0 1 HJAF O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1 261165415 RUNIZNWDLDTNRM-NVGCLXPQSA-N 402.368 4.527 0 1 HJAF COc1ccc2nc(C)cc(N3CCC(NC(=S)Nc4ccc(F)cc4)CC3)c2c1 299870726 WWDPJJGYDBKGDS-UHFFFAOYSA-N 424.545 4.646 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cncc(C)c4[nH]3)c(=O)oc2c1C 586917072 CTGUSRWXQDTDCQ-UHFFFAOYSA-N 403.482 4.925 0 1 HJAF COc1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2cn1 587060805 GCRNXCTXZNRSHM-UHFFFAOYSA-N 418.888 4.697 0 1 HJAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587194145 MNUNTJONSPEJLH-HXUWFJFHSA-N 424.545 4.659 0 1 HJAF Nc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc2c1 587252276 VGMLOQAQXZSGEC-UHFFFAOYSA-N 418.092 4.885 0 1 HJAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(N)cc2O1 587338709 RENQXLMJXJWKAF-UPVQGACJSA-N 403.409 4.664 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1N1CCCCC1)O2 587389732 JBLXMTZEMQYNRR-JOCHJYFZSA-N 416.525 4.768 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(Cl)sc1Cl)CC2=O 587490374 GABNLQQSSQLTIP-KRWDZBQOSA-N 401.267 4.658 0 1 HJAF Cc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587582889 OWERPKRGCWTEOL-QFIPXVFZSA-N 401.462 4.701 0 1 HJAF CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587593481 DSLAKBKABSCFEI-XUZZJYLKSA-N 406.434 4.980 0 1 HJAF COc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587721716 XDZUGAAGBWBJFT-VVVCHXIZSA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3)CC2)N1 587766777 HTKXIOAPKXAKDD-HNNXBMFYSA-N 403.339 4.614 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587797861 XXNZDPKYBVXBLH-MQJDWESPSA-N 417.322 4.616 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccn3)s2)N1 587853510 NQTFBSRVAZBRHY-BMLIUANNSA-N 404.308 4.730 0 1 HJAF Cc1cc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n2nc(C)c(-c3ccccc3)c2n1 621432743 OEOOJLRGECZKNN-IBGZPJMESA-N 421.545 4.825 0 1 HJAF CCOC(=O)[C@@H](CC)Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1 653801645 UPXIEZVEATXWCD-INIZCTEOSA-N 407.432 4.767 0 1 HJAF CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21NCCc2cc(C)c(F)cc21 962295385 DLPIWDJGSCLXQF-XMMPIXPASA-N 422.525 4.990 0 1 HJAF CC(C)C(=O)[C@@H]1CCCC[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175676 RUSLLYKJWQOFFI-JOKNJTHLSA-N 417.855 4.568 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C=C(Nc2ccccc2N)CC(C)(C)C1 963609115 LUAGUBVLAIDPRW-IVCQMTBJSA-N 407.558 4.832 0 1 HJAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1 1772617832 MYGAUVJERVEMMO-SFHVURJKSA-N 404.554 4.621 0 1 HJAF c1ccc(CCC2CCN(CCCN[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 1857563678 WLTNUNJSZWIEBW-MHZLTWQESA-N 405.630 4.585 0 1 HJAF c1ccc(COc2ccccc2CCn2cnc(-c3cc(-c4cnn[nH]4)ccn3)c2)cc1 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422.317 4.520 0 1 HJAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587767877 ZCHWQWAHLRJQED-LRTDBIEQSA-N 414.322 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccnc3)s2)N1 587853429 MWQSAWBEWAGCEE-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF O=C1CCC(c2ccccc2)(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 587970411 GWCSENFZCLDSLL-UHFFFAOYSA-N 404.695 4.803 0 1 HJAF Cc1ccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cc1Cl 1911572605 ZBXUUHPQYSCZPY-QFIPXVFZSA-N 405.970 4.931 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@]1(O)c3cc4c(cc3O[C@H]21)C=CC(C)(C)O4 2356390830 DPZTXOLAMWJVIS-NOZRDPDXSA-N 406.478 4.799 0 1 HJAF CCCC[C@@H](Cc1cc[nH]c1)[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356605378 DMRFSFVXJMWROZ-NZQKXSOJSA-N 415.530 4.602 0 1 HJAF CC=C(C)C(=O)O[C@H]1C[C@@H](OC(=O)C(C)=CC)C(C)(C)[C@H]2[C@@H]3C(=O)C[C@H](C)[C@@H]2[C@@]13C 2356626551 BUDAMNIUJPUZEA-ZYTKPMIYSA-N 416.558 4.650 0 1 HJAF CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 6155693 FSCIVJDFOMHHCF-FGSXEWAUSA-N 423.557 4.690 0 1 HJAF COc1ccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c(OC)c1 8611643 UOHZELUHLFJMGX-UHFFFAOYSA-N 402.450 4.883 0 1 HJAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3F)cc2)n(-c2cccc(C(=N)N)c2)n1 13861915 SWTCKWGXIDHDEF-UHFFFAOYSA-N 413.456 4.523 0 1 HJAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4cc(C)on4)oc3C)ccc21 28563993 DZEBXLFVYQEPOX-PKOBYXMFSA-N 410.470 4.709 0 1 HJAF CN1CCCC[C@@H]1CCn1c(CN(C)[C@@H]2CCCc3cccnc32)nc2ccccc21 38225710 SAIRRLKOMQEJAC-ZJSXRUAMSA-N 417.601 4.815 0 1 HJAF CC(C)NC(=N)c1cccc(OCCCCCOc2cccc(C(=N)NC(C)C)c2)c1 40955904 ZAVJLZLDJRVRJB-UHFFFAOYSA-N 424.589 4.961 0 1 HJAF O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)C[C@@H](c2ccccc2)CC1 49048265 OUDAEQVANHAUTN-NRFANRHFSA-N 415.489 4.901 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1 82140301 QIPMNXZJVWOCIY-UHFFFAOYSA-N 406.505 4.710 0 1 HJAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nncn4C=N[C@@H]32)cc1 98082682 GYSZPADNYBFYBK-ILBGXUMGSA-N 419.488 4.675 0 1 HJAF O=C(Nc1ccccc1Cl)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O 103170105 AHUJIHBRUGVABD-GOSISDBHSA-N 414.955 4.644 0 1 HJAF CCc1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1 114340061 IKTOOZHJDFEYBL-LEWJYISDSA-N 410.533 4.816 0 1 HJAF Cc1c(N(CCN2CCCCC2)S(=O)(=O)c2ccccc2)sc2ccccc12 115234067 BHSMBEMOQHIYRB-UHFFFAOYSA-N 414.596 4.891 0 1 HJAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 299845073 IYPSSJCRWHANLL-GCJKJVERSA-N 402.542 4.792 0 1 HJAF CCOC(=O)C(F)(F)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586985208 BEVZOLUHNKQLGF-CQSZACIVSA-N 423.415 4.770 0 1 HJAF Brc1ccc(Br)c2[nH]c(-c3csc4c3CCOC4)nc12 587031294 CSBNYUBTWUMASR-UHFFFAOYSA-N 414.122 4.889 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]1c1ccccc1Cl 587062117 TVECYCUDLPCHEK-DIFFPNOSSA-N 408.811 4.707 0 1 HJAF CC(C)OC(=O)C1(c2nc3cc(Cl)cc(Br)c3[nH]2)CC(F)(F)C1 587130668 NYIQDEGNARXRMM-UHFFFAOYSA-N 407.642 4.597 0 1 HJAF O=C(/C=C\c1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccccc1 587245293 VHNBJMVIVFCULP-HJWRWDBZSA-N 421.092 4.740 0 1 HJAF 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587777379 GZFDSENNCZYVMC-BIBXISHDSA-N 401.279 4.769 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cccnc2)n1 587865718 GNKMLAHACNOXEZ-UHFFFAOYSA-N 411.387 4.809 0 1 HJAF O=C1NC(=O)[C@H](Cc2ccc(OCc3nc4ccccc4n3C3CCCC3)cc2)S1 653705297 HFBNARMVGPKCOY-FQEVSTJZSA-N 421.522 4.625 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(COc1ccccc1Br)N(C)[C@@H](C)C2 962619687 FKXSLTRWVSPFCD-QKKBWIMNSA-N 420.347 4.637 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)(C)C(=O)O)(c2ccc(OC)c(F)c2)N1 962950568 RUHXUGSUROUCED-IVCQMTBJSA-N 424.516 4.984 0 1 HJAF C[C@@]1(c2ccc(Br)cn2)c2ccsc2CCN1Cc1cccnc1 962992590 HPCQFZVLPRCDRG-IBGZPJMESA-N 400.345 4.622 0 1 HJAF C[C@@]1(c2ccc(I)s2)c2c(F)cccc2C[C@H]2CCCN21 963086588 AVVCPAZPPITFQR-SJKOYZFVSA-N 413.299 4.776 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 963234840 RCVSSOPXJGDUIA-HJPURHCSSA-N 416.500 4.575 0 1 HJAF c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 1857571816 MPFRLKLVOGUERN-RSXGOPAZSA-N 403.522 4.619 0 1 HJAF CCCCc1ncc(C(Cc2ccc(C(=O)O)cc2)=C(Cc2cccs2)C(=O)O)[nH]1 1857742991 IDZXLZCISXUMHU-UHFFFAOYSA-N 424.522 4.836 0 1 HJAF CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O 1911576769 KHIDSVXJRBGIHK-MGECGWLASA-N 404.591 4.941 0 1 HJAF CC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1C(=O)c1occ(C)c1[C@@H]2OC(=O)C(C)C 2356674461 JGIOAWQQJOEUOP-IKVUJQBXSA-N 416.514 4.955 0 1 HJAF Cc1ccccc1OCc1nc2ccccc2c(=O)n1N/C=C1\C=Nc2ccccc21 13119343 UDHFQSCNAHKRKM-OBGWFSINSA-N 408.461 4.584 0 3 HJAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 36384275 YBBHNQQQGOVEQP-JTHBVZDNSA-N 418.537 4.855 0 3 HJAF Fc1ccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1 29130957 RHGXTQYAHIAIMN-UHFFFAOYSA-N 423.471 4.929 0 1 HJAF COc1c(Br)c(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12 40395116 YQQJAERBBRQKEY-UHFFFAOYSA-N 405.244 4.525 0 1 HJAF COc1cc(Nc2cncc(Oc3ccc4ncccc4c3)n2)cc(OC)c1OC 40420877 FKIUEGJLCZHXIT-UHFFFAOYSA-N 404.426 4.587 0 1 HJAF CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccccc2)c2ccccc21 49111055 VSEQHQHTFSCJDD-HOYKHHGWSA-N 420.534 4.768 0 1 HJAF Cc1nc(C(=O)N2CCSCC2)cc2c3ccccc3n(Cc3ccc(F)cc3)c12 58538275 MVOADTCNHJAYLG-UHFFFAOYSA-N 419.525 4.874 0 1 HJAF COc1cc(-c2ccc(N[C@@H](C)c3ccccc3F)nn2)ccc1-n1cnc(C)c1 72172339 PAINQWCUWYGDLM-INIZCTEOSA-N 403.461 4.959 0 1 HJAF CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCN1CCCCC1 82177855 GMICCTNKTHYLFQ-UHFFFAOYSA-N 412.969 4.701 0 1 HJAF O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(-c3cc(F)ccc3F)cc2N1 101147023 ZJLGPONIPOFEKB-UHFFFAOYSA-N 415.403 4.676 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2cccc3c2ccc(=O)n3C)c2cccc(F)c2O1 145699602 JBULZOONTWQGEO-LJQANCHMSA-N 423.488 4.882 0 1 HJAF O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 199947368 JCMBXRJQNVPHIQ-UHFFFAOYSA-N 423.875 4.506 0 1 HJAF CC(C)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1C[C@](O)(CO)[C@H]3CC[C@]12C3 238748020 UCPBPQDBGYEYAK-NOKBKYPESA-N 406.607 4.712 0 1 HJAF COc1cccc2c1CCC[C@@H]2CCC(=O)N1CCC2(CC1)OCc1ccccc12 299831196 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ARJYJBOGOMGBFN-ISKFKSNPSA-N 412.457 4.772 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348434 WSZCZQSYLSQKDB-OQRIRGNISA-N 417.480 4.781 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)O2 587378440 CEIDGPXGTYDRDB-HNNXBMFYSA-N 403.866 4.679 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)O2 587401907 SYDFARRDOMCHBV-RDGATRHJSA-N 417.461 4.663 0 1 HJAF Cc1nc2ccc(Br)cn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498053 NRCSPIWFCSRJSA-GOSISDBHSA-N 411.299 4.991 0 1 HJAF O=C1C[C@@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 587517511 OTRSXWDNUQKLLL-QUGAMOGWSA-N 415.489 4.508 0 1 HJAF CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587557474 RXZANEWUTAZAOG-QFBILLFUSA-N 418.371 4.720 0 1 HJAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628000 NTKUUJRNWOLEQO-UHFFFAOYSA-N 405.298 4.783 0 1 HJAF Cn1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc21 587657072 SHTGNGMBPRXWDY-UHFFFAOYSA-N 415.399 4.522 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(CC(F)(F)F)s2)N1 587712011 ZGTKAMXIRVMWDB-WJWGPLDTSA-N 409.246 4.773 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1 587761172 STRHRSZMCGQPPG-MPBGBICISA-N 400.295 4.612 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799574 SLVKPHFBWDIYHT-OACQNMCBSA-N 412.343 4.707 0 1 HJAF O=C(O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O 587937366 KQGWYURPPAYQFE-UHFFFAOYSA-N 415.445 4.762 0 1 HJAF N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)c1ccccc1 653758335 IVLPROCMKPTCHM-GOSISDBHSA-N 402.523 4.711 0 1 HJAF Cc1cc(C)c2c(N)c(C(=O)N3NC(c4cccs4)=C[C@H]3c3ccco3)sc2n1 958585557 PGBBAVSTNCACNH-AWEZNQCLSA-N 422.535 4.893 0 1 HJAF CC(C)c1nn(C)c2c1[C@H](c1cc3cc(Br)ccc3nc1Cl)NCC2 962916058 WYNPMRSFEIMBPJ-SFHVURJKSA-N 419.754 4.743 0 1 HJAF C[C@H]1C[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2cc(F)ccc2O1 962957287 NBOLRPVYPNKKBX-FPTDNZKUSA-N 421.434 4.911 0 1 HJAF C[C@]12CC(=O)C[C@@]1(C)C[C@@]1(C2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960577 SNUNYDBAOSKMHW-VTYHHJSWSA-N 407.476 4.721 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CC(=O)Nc2cc(Cl)ccc2OC)N1 962961230 TWLRBDIAZAWXMZ-CMJOXMDJSA-N 411.933 4.998 0 1 HJAF Nc1ccccc1-c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962964942 KCVIIUJEGGSUIO-RXVVDRJESA-N 414.839 4.556 0 1 HJAF C[C@]1(c2ccnc(C(F)F)c2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177714 OMMPGQHYDAJOGH-YVEFUNNKSA-N 420.765 4.554 0 1 HJAF CCCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229813 QCOAMLOCCJSJBH-RCZVLFRGSA-N 412.489 4.865 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21c2ccccc2COc2cc(F)ccc21 963636084 OUZILWDXHIAPIE-MQNRADLISA-N 405.469 4.561 0 1 HJAF CC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3Cl)nc2cn1 1857773829 HHEMFPQLYWMVOE-UHFFFAOYSA-N 405.329 4.659 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@]6(CCC[C@@H]6CCO)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356352097 MLJOFDODJGSSER-YTNPGDGJSA-N 416.602 4.600 0 1 HJAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356503836 UVOTXHBDYFWIBF-FSQIMNHYSA-N 416.558 4.629 0 1 HJAF CSc1sc(C(=O)NC(=O)Nc2ccccc2Cl)c2c1-c1nocc1CC2 1323975 ZPVIMMDNTIPECB-UHFFFAOYSA-N 419.915 4.839 0 1 HJAF O=C1CN(C(=O)C2CCCC2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 2456510 MOEWLMFJEWMQMY-HXUWFJFHSA-N 413.315 4.509 0 1 HJAF COC(=O)Cc1nc(NCc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 6947378 FPGVHYXTRGFLSY-UHFFFAOYSA-N 401.919 4.551 0 1 HJAF CC(C)c1ccc2c(=O)oc(Nc3ccccc3I)nc2c1 13779200 OTFCSHNIPZVFGS-UHFFFAOYSA-N 406.223 4.660 0 1 HJAF c1ccc(CN2CCN(c3nc(-c4ccccc4)cc(-c4ccncc4)n3)CC2)cc1 28470493 RKULHDBDUKEYQU-UHFFFAOYSA-N 407.521 4.528 0 1 HJAF Cn1nc(C(F)(F)F)c(/C=C2\SC(=S)N=C2O)c1Sc1ccccc1 28822805 YGWGPUKTWCXLRA-YFHOEESVSA-N 401.460 4.919 0 1 HJAF O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H](c1ccccc1)n1ccnc1 71316751 SGJZRIGVGSTPGD-QFIPXVFZSA-N 415.880 4.996 0 1 HJAF CCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F 140180677 AGOBPYWIXHHVAO-UHFFFAOYSA-N 400.457 4.833 0 1 HJAF CCCOC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc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c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCOCC2)cc1 169333769 ALRDRJOEABTWMB-DEOSSOPVSA-N 422.569 4.846 0 1 HJAF CS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Sc1ccccc1 169341369 WYOPDLVMIRUHPL-UHFFFAOYSA-N 413.520 4.552 0 1 HJAF CC(C)(C)CCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169715234 ZUVAZIQGZTUPNE-CZAWAEJTSA-N 400.607 4.811 0 1 HJAF C/C=C1\[C@H](O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCO)[C@@]2(C)CC[C@@H](O)C[C@@H]12 299819083 BERBUWQYIOHPOG-XRWXTCKZSA-N 404.635 4.942 0 1 HJAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1 473153923 DCYOTMCWHBEKAQ-UHFFFAOYSA-N 415.232 4.948 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C(c1cccc(CO)n1)CC3 586988701 WRIAQUHPHCHRJN-UHFFFAOYSA-N 406.441 4.526 0 1 HJAF Brc1cnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 587017973 QQNXURJPSGNWGY-UHFFFAOYSA-N 423.299 5.136 0 1 HJAF Cc1cc(Br)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587041719 DQOLXALESLTMII-AWEZNQCLSA-N 422.735 4.943 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(NS(C)(=O)=O)cc4)nc13)-c1ccccc1C2=O 587101626 HSLRYDYUCOKABL-UHFFFAOYSA-N 414.486 4.793 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2cc1OC 587136478 IRAXPUFOFQMXDG-UHFFFAOYSA-N 413.630 4.580 0 1 HJAF Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1C 587157973 RMCUTBNZPPDVEK-UHFFFAOYSA-N 415.266 4.917 0 1 HJAF O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587212436 JTQRODTZCXSETC-PMACEKPBSA-N 400.478 4.830 0 1 HJAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587245618 VSOXZGHDIRBHDT-UHFFFAOYSA-N 416.359 4.601 0 1 HJAF Cc1ccc(C(F)(F)F)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276669 QGSMUCAENVZKTA-UHFFFAOYSA-N 414.177 4.641 0 1 HJAF CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc1C 587347378 BCJNWQBKJMBMEP-URXFXBBRSA-N 424.424 4.884 0 1 HJAF CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349114 PLORKUFYDKVDRV-RCZVLFRGSA-N 420.436 4.657 0 1 HJAF CCCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587350081 RBVQMFRMQSWKPO-RCZVLFRGSA-N 417.436 4.690 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)O2 587382228 KSTNIRZGHXTABU-MRXNPFEDSA-N 421.419 4.682 0 1 HJAF CCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408617 QVRKRZJGXZJJAP-RUZDIDTESA-N 401.462 4.747 0 1 HJAF COc1cc2c3c(c1)OC1([C@H]4CCCC[C@H]1CN(Cc1ccccc1)C4)[C@@H](C2)C3=O 587444442 PTGRQBLMYWFXNV-ONTIZHBOSA-N 403.522 4.504 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1NCc1ccccc1)CC2=O 587460110 GIFUGRNYUPQUSR-IBGZPJMESA-N 423.900 5.107 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2=O 587490484 XJIICGYFLSFVBN-NDIWIEOSSA-N 405.538 4.981 0 1 HJAF Cc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)cc1 587660303 AKQILNQZYDDDJJ-UHFFFAOYSA-N 424.435 4.590 0 1 HJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncc1Br 587685961 RRXIJPVYUPOZEN-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2-n2cccn2)N1 587715275 BTXKAOPHEFFWCU-BBATYDOGSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)cc2)N1 587745581 JWXFALUGIYOGIB-JLCFBVMHSA-N 411.318 4.997 0 1 HJAF CCOc1ccc(OCC)c(-c2nc3ccc(I)cc3[nH]2)c1 587778030 HUHPKYIMEJPWPF-UHFFFAOYSA-N 408.239 4.632 0 1 HJAF CCCc1cc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)ccn1 587923536 VGMAZUXHEXJYTG-UHFFFAOYSA-N 401.557 4.611 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)[nH]c2cc1OC 587929211 SJMONRNSUGFRJD-UHFFFAOYSA-N 418.449 4.709 0 1 HJAF CO[C@H](C)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772571832 GZKNPZYWFSQGAJ-GFCCVEGCSA-N 409.313 4.617 0 1 HJAF C[C@H](NC(=O)[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 13681786 NLFQZGZNWSXJNG-FBUASSAVSA-N 419.565 4.713 0 1 HJAF COc1ccc([C@H]2OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13761556 QJPSOSYPFXRAKF-XMMPIXPASA-N 400.430 4.718 0 1 HJAF Cn1c2c(c3ccccc31)C(=O)[C@@H](CN1CCC(C(=O)c3ccccc3)CC1)CC2 27739142 KOVWQMSGPHHQID-HXUWFJFHSA-N 400.522 4.518 0 1 HJAF O=C(OCCCCN1CCC(OCc2ccccc2)CC1)c1cccc(Cl)c1 28650705 NDGPQNPYSUGIAY-UHFFFAOYSA-N 401.934 4.958 0 1 HJAF in-vivo O=C(NC1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1 72101699 NPBCJEAMEBAOGW-HSZRJFAPSA-N 423.919 4.858 0 1 HJAF CCc1ccc(O)c([C@@H](CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccc3c(c2)OCO3)c1 95593068 NIRMMTQJLKPRRA-ZWOKBUDYSA-N 409.526 4.710 0 1 HJAF O[C@H]1C[C@@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1 169356304 AUQNPCFBIYVHNH-VABKMULXSA-N 414.981 4.738 0 1 HJAF CCOc1ccc(-c2nc(N(C)C)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 473101675 KIQGQFHZASDPTM-UHFFFAOYSA-N 414.527 4.968 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3c2)cc1 586878782 HKOIJDFOWWUTRZ-JYRVWZFOSA-N 414.417 4.907 0 1 HJAF CCCCOC(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350946 SQZWQQXKONWLFX-LEEZEASISA-N 412.457 4.772 0 1 HJAF COc1cccc(OC)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353567 RABIPDFYBMLMHU-XUZZJYLKSA-N 408.425 4.823 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)O2 587387799 SKYZNHOLFWBTIP-SIBVEZHUSA-N 400.522 4.958 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(Br)cnc13)CC2=O 587458491 JSOYLUKVAMAXHM-KRWDZBQOSA-N 401.260 4.690 0 1 HJAF COc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587512727 OTSLINUDZVVBCX-AAJFVQQISA-N 407.510 4.519 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1O 587549783 RQGQPARXOOYBOG-YLJYHZDGSA-N 402.324 4.820 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 587550213 VRXWFYHEMBOFJO-PXNSSMCTSA-N 420.808 4.799 0 1 HJAF C[C@@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592649 IHKJRMLHIKWCJG-DHLKQENFSA-N 401.462 4.869 0 1 HJAF CCN(/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CC 587707979 YWQDAAYINIRUKW-MUVLGWFMSA-N 409.265 4.736 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3F)c2)N1 587727946 QGTGFKMXARCWCR-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF Cc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743722 PLEJNYCCDOOERT-RNODOKPDSA-N 405.311 4.675 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCN(Cc3ccccc3)C2)N1 587758665 CUSNIIVXMFAMHZ-LDJQZATESA-N 417.366 4.860 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1 587758730 JDNFASWPCAERES-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF COCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587791316 HIXULYDKMXWLKZ-RNODOKPDSA-N 408.311 4.627 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ccc(C)cc1 587870131 WXGCLAFLROOWCZ-UHFFFAOYSA-N 407.417 4.713 0 1 HJAF Cc1[nH]c2c(-c3ccccc3)c(-c3cc[nH]n3)nn2c(=O)c1-c1ccc2ncccc2c1 1857588522 GWSLXAHXUZNURL-UHFFFAOYSA-N 418.460 4.603 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Nc4cccc(F)c4)c23)C1 1857615803 GWMCQFOBQBLDST-UHFFFAOYSA-N 400.479 4.867 0 1 HJAF C[C@H]1C[C@@H](C)CN2C[C@H]3[C@@H](CC[C@@H]4[C@@H]3C[C@@H]3[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@@]43C)C[C@@H]12 2356734870 AZDIWQCQCMRTKK-VEUYCTRISA-N 413.646 4.771 0 1 HJAF CCCCC(=O)N(CCCC)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356826898 HLIHLMZQNAZFBR-DEOSSOPVSA-N 410.558 4.872 0 1 HJAF O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 627306 GXGYVTHIFQPHQU-UONOGXRCSA-N 418.852 4.561 0 3 HJAF CCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(C)cc2)N1S(=O)(=O)c1ccc(C)cc1 61947059 HCQGMNNSEHBJAP-KNQAVFIVSA-N 413.539 4.619 0 3 HJAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc4c(c3)OCO4)C2)[C@H]2CCCCN12 203468349 DIPYFOKHQQBQGJ-YXRUOGEQSA-N 400.519 4.786 0 3 HJAF Cc1cccc(CNc2nc(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)c1 4257440 IRXUERLBHIFREV-UHFFFAOYSA-N 418.522 4.589 0 1 HJAF CCCCc1nc(Cl)c(CO)n1Cc1cccc(Oc2ccccc2C(=O)O)c1 13493331 BRFSQWPUWIPSEV-UHFFFAOYSA-N 414.889 4.910 0 1 HJAF COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)C[C@H](C)C3)ns1 26739718 XBXOXHQNEMHVJF-SNVBAGLBSA-N 403.554 4.728 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@]53C)[C@@H]1CCC2=O 27331093 KGFRQVJXQKRIGD-PSLIKIDCSA-N 402.538 4.733 0 1 HJAF CC1(CN2C(=O)S[C@@H](Cc3ccc(O)c(C(F)(F)F)c3)C2=O)CCCCC1 29052698 RHVDLINHYVUNDA-HNNXBMFYSA-N 401.450 4.988 0 1 HJAF CS(=O)(=O)c1ccc(-c2cnc(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1 43022840 NPFBGJGIMZERER-UHFFFAOYSA-N 418.493 4.944 0 1 HJAF CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1 45498081 RDQBUHGLOYTUMY-UHFFFAOYSA-N 423.594 4.815 0 1 HJAF N[C@@H](CS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O 84706026 KYNILLMSOZOSFT-GMAHTHKFSA-N 411.954 4.971 0 1 HJAF CC(=O)Oc1ccc(C(=O)O[C@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1 87723325 LSDICXYPPJEUGV-HGZUKCIGSA-N 400.515 4.991 0 1 HJAF CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccccc2)cc1 95564932 PJYMLMVYIDERGB-UHFFFAOYSA-O 403.502 4.678 0 1 HJAF Cc1c(CC(=O)Nc2cccc(O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 95581827 NUNTUTZSQXQPFK-UHFFFAOYSA-N 417.461 4.922 0 1 HJAF Fc1ccc(/C=C(\CCN2CCN(c3ncc(F)cn3)CC2)c2ccc(F)cc2)cc1 95611584 LHHHTHPGNCCTBY-HMMYKYKNSA-N 424.470 4.647 0 1 HJAF c1ccc([C@H]2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)cc1 139370553 OBNRJTXLMYHYCS-NRFANRHFSA-N 407.521 4.623 0 1 HJAF COc1ccc2c(c1)NC1(CCN(C(=O)OCc3ccccc3)CC1)c1cccn1-2 205505437 MZPRXOBVFQASBN-UHFFFAOYSA-N 403.482 4.539 0 1 HJAF COc1cc2c(cc1OC)[C@H]1[C@H](CCCN1C(=S)Nc1ccc(F)c(F)c1F)C2 299832928 XLXJZBOXDPPJGG-BIBXISHDSA-N 422.472 4.827 0 1 HJAF COC(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2n1 587015257 IZCWVOIPXBLJTB-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF CCOC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587080771 GAACIANNQDYFPN-UHFFFAOYSA-N 417.856 4.770 0 1 HJAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587194288 PIRZTKTYSWBGES-GFCCVEGCSA-N 420.863 4.753 0 1 HJAF CCCCOc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587242452 TYKJLDZUMUCQCJ-UHFFFAOYSA-N 403.280 4.662 0 1 HJAF C[C@@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340540 YGNGWRQQTJYSPQ-VWNXMTODSA-N 423.415 4.817 0 1 HJAF COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348086 GGROJMMLQJKLKL-RDGATRHJSA-N 418.420 4.519 0 1 HJAF CCOC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587351267 TUNMCZIDOADHHK-RCZVLFRGSA-N 420.436 4.982 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)O2 587383709 FHKFYZPBXMPWGR-FQEVSTJZSA-N 418.255 4.722 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O 587422595 PDKBHRDYRARGTO-RBZFPXEDSA-N 412.335 4.561 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587448785 GDFHNBMERWKXSA-HFZDXXHNSA-N 414.457 4.701 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Cl)nc1Cl 587553225 ULHWNGWWTYALER-NHYWBVRUSA-N 423.639 4.845 0 1 HJAF CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1cc3c(O)nc(O)nc3nc12)CC(OC)=CC4 587560769 FSNLCJMOPLEXTP-QCKQGSCRSA-N 419.525 4.697 0 1 HJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1 587583350 VLNUDABNFJGUOG-RDGATRHJSA-N 412.445 4.804 0 1 HJAF CC[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598531 BMRDZMAYEYAXAY-QPPBQGQZSA-N 406.434 4.677 0 1 HJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602861 ZIKSMPJGTHUIQN-URXFXBBRSA-N 404.418 4.585 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C1\CCCO1)c1ccccc1 587608371 KLBPVRUJSYGXFY-PECMTYBNSA-N 400.430 4.944 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccn2)n1 587612169 KMLPSFQAZIWFQM-NQIIRXRSSA-N 402.431 4.614 0 1 HJAF CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@H](C)C2 587615008 FJXXZWCPWGHNMA-BPLCPZIWSA-N 418.445 4.817 0 1 HJAF CCOc1ccc(-c2nn(Cc3cccs3)c(=O)c3ccccc23)cc1OCC 587671004 NMOXDJWLHRIDLG-UHFFFAOYSA-N 406.507 4.971 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742465 LDXNVMKNLZUGQU-FKIZINRSSA-N 405.311 4.653 0 1 HJAF CCc1ccc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839624 TXZSLENKYMFHEJ-GIPWTMENSA-N 416.290 4.881 0 1 HJAF CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867240 AGXOKVMZHPNVTE-ZDUSSCGKSA-N 419.403 4.643 0 1 HJAF COc1cc(OC)c2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)nc2c1 587925715 CQOCHBOKOKSSTE-UHFFFAOYSA-N 406.438 4.637 0 1 HJAF COc1cc(-c2ccccc2)c(OC)n1-c1cc2cnccc2c(Br)n1 587940739 MBJXXPVKVRGPON-UHFFFAOYSA-N 410.271 4.867 0 1 HJAF O=C(CCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 587953361 IWEYBORMNAQTRW-UHFFFAOYSA-N 408.093 4.903 0 1 HJAF Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3O[C@H](C)CF)c12 1772619379 FGHVVFITCNNHRM-CYBMUJFWSA-N 420.485 4.917 0 1 HJAF O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccc(F)cc4)ccc3n2c1 1857581492 DWDSIXMOEFBSID-DEOSSOPVSA-N 413.496 4.723 0 1 HJAF Cc1nnc2n1-c1ccc(-c3cc[nH]c(=N)c3)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857590605 JHEHEHMVVAHSTL-HXUWFJFHSA-N 416.916 4.803 0 1 HJAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@H](O)C2=O 2356400200 SUUABGCZKXRNFT-RPBOFIJWSA-N 424.493 4.847 0 1 HJAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC 2483371 CEIVIGQXCIRANW-UHFFFAOYSA-N 409.324 4.940 0 1 HJAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CCCN(C3CCCC3)CC2)cc1 42888174 UYLPCDWAUMDYPN-QFIPXVFZSA-N 417.553 4.870 0 1 HJAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc2ccccc2[nH]1 96922459 ZZAIDBYWOCHAKU-GHTZIAJQSA-N 402.542 4.792 0 1 HJAF CNC(=O)n1ncc2nccc(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c21 140523568 OXLMDOWIAKYJJH-UHFFFAOYSA-N 410.840 4.525 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccccn3)cc2)n1 142089412 LMAOMLHBKRXYLM-OXJNMPFZSA-N 403.486 4.693 0 1 HJAF Cc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1Cl 142258801 YYAWAUZYFOVHQJ-VZUCSPMQSA-N 412.898 4.528 0 1 HJAF CC(=O)C[C@H]1C(=O)[C@H]2COC(C)(C)[C@H]3CC[C@](C)(C[C@H]32)[C@H]1/C=C/OC(=O)C=C(C)C 238775602 FXXKPLFBIHAEOU-SGNSINGUSA-N 416.558 4.651 0 1 HJAF COC(=O)[C@H]1[C@H](c2ccc(-c3cscc3Br)cc2)C[C@H]2CC[C@H]1N2C 261073310 AKZNIBWGGYEGKL-OHQAAIJDSA-N 420.372 4.917 0 1 HJAF Cc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)c3cccs3)CC2)CC1 261107391 HPSXIRMSZPEQTB-MEMLXQNLSA-N 411.615 4.557 0 1 HJAF O=c1cccc(-c2nc3c(Cl)cccc3[nH]2)n1CCOc1ccccc1Cl 587065093 ZENGZYMQZJIMJA-UHFFFAOYSA-N 400.265 4.777 0 1 HJAF C[C@@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341547 JSUBVUMBYSFEIM-NOZRDPDXSA-N 414.436 4.991 0 1 HJAF O=C(O)c1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354746 RMSWYBULXOJJBL-DHLKQENFSA-N 418.420 4.820 0 1 HJAF COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587400906 UEYZKYFSCBFAJA-QLODZENZSA-N 423.509 4.728 0 1 HJAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCc2ccccc2)c1 587443842 PZOZIPXXYNUVRV-CJFMBICVSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)s1)CC2=O 587493404 GVYMWLWQRNJQMU-FQEVSTJZSA-N 408.903 4.874 0 1 HJAF COc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587504258 QQIFPSAQGUBQBX-NRFANRHFSA-N 416.315 4.921 0 1 HJAF COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC 587699253 RXOGPXHBBOOXHB-HUTHGQBESA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]2(c3cccc(F)c3)CCOC2)N1 587729539 HIABMWQQMZTROV-BYYRLHKVSA-N 408.286 4.661 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCN(C)C)c2)N1 587741847 PHNCEZYBQVKHSY-SPLOXXLWSA-N 421.354 4.542 0 1 HJAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21 587754190 DEAGSOXKPUJMLB-XUSGNXJCSA-N 417.322 4.973 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1 587847924 MUJHZNVUWIYRNM-XTZNXHDOSA-N 406.324 4.674 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587960815 FSKBCRRURGGJFS-UHFFFAOYSA-N 419.550 4.899 0 1 HJAF CCOC(=O)[C@@]1(CC(=O)c2cc(C)ccc2C)N[C@H](CC)Cc2c1[nH]c1ccccc21 962943265 GIDFAILHQATCEO-DWXRJYCRSA-N 418.537 4.740 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 962969196 PVNKDMBPLGOHLX-AUUYWEPGSA-N 407.775 4.706 0 1 HJAF CCOC(=O)CCC[C@@]1(c2cccnc2)c2ccsc2CCN1Cc1cccnc1 962999436 RQFGPQXCWCWQSM-XMMPIXPASA-N 421.566 4.573 0 1 HJAF COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 1857590382 GMVIJCNJXXMNBV-UHFFFAOYSA-N 414.870 4.958 0 1 HJAF O=C(c1ccccc1)c1ccc(NC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc1 1857766744 QMZMOCYORVJUNV-UHFFFAOYSA-N 424.504 4.753 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356819174 DZQZPPMTZCGVOX-AFGPWYPBSA-N 424.581 4.512 0 1 HJAF NC1=NC[C@H](Cc2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13659620 GZHIEIMWGIISKF-KRWDZBQOSA-N 415.381 4.508 0 3 HJAF CC(C)c1ccc(NC(=S)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 13553800 ICQKSTDPWZOJHB-UHFFFAOYSA-N 408.493 4.743 0 1 HJAF COc1ccc(CNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1 13589101 CSXYUJOEZFXVOU-UHFFFAOYSA-N 402.538 4.738 0 1 HJAF C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 25187863 ZNSKOGGQUHKREZ-YQYVXRPRSA-N 402.560 4.525 0 1 HJAF CCn1c(NC2CCN(CCCC(=O)c3ccc(F)cc3)CC2)nc2ccccc21 29561151 BIFIYCMYEDTYFC-UHFFFAOYSA-N 408.521 4.735 0 1 HJAF Cc1cc2c(cc1Cl)S[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)NS2(=O)=O 40380438 PCOWAPVQYNMIMP-HNNXBMFYSA-N 422.742 4.548 0 1 HJAF Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c1CCCC2)c1cccc(Cl)c1 40422461 ZMAYNDYGIXENHY-UHFFFAOYSA-N 413.930 4.519 0 1 HJAF N=C(N)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCCC3)cc2)CC1 71297045 RILTYJPJQDPWTG-UHFFFAOYSA-N 413.606 4.975 0 1 HJAF CCCCCc1ccc(-c2cn(-c3ccc(C(=O)N4CCCCC4)c(O)c3)nn2)cc1 71317025 OKRZFYRENDTWQO-UHFFFAOYSA-N 418.541 4.999 0 1 HJAF COc1cc(C(=O)c2cc(/C=C\c3ccsc3)sc2N)cc(OC)c1OC 71341038 NABIFWSAZJXNAS-PLNGDYQASA-N 401.509 4.819 0 1 HJAF C[C@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@@H](c1cc(Cl)ccn1)c1cccnc12 72317814 MUMDCFHGPZGRLJ-QVKFZJNVSA-N 424.907 4.836 0 1 HJAF COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1-n1cnc(Cl)c1 103235469 KYVRLEYDTPMILF-UHFFFAOYSA-N 402.281 4.858 0 1 HJAF Cc1cc(O)cc(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=O)CC[C@H]23)c1O 140371481 IESMSRWXTOAEGD-FPEWTVHFSA-N 402.531 4.851 0 1 HJAF COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1 169694920 SZWWTIDHPCRSNF-LEWJYISDSA-N 421.537 4.881 0 1 HJAF C[C@]12CC[C@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NCc1ccccc1 169714346 FWBHJCPPBDITIA-WPCWPIEDSA-N 406.570 4.575 0 1 HJAF C[C@@H]1C[C@@H](O)[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@@H]5CC[C@@]43C)N2C1 255263375 RTCXOPGJLHDJMS-DIRRHLLPSA-N 414.678 4.672 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@H]1CCOC1 261143386 NLDGWRVWWZGYFC-BVSLBCMMSA-N 424.585 4.714 0 1 HJAF CCN(C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@H]21)C[C@@](C)(O)c1ccccc1 503969578 JTMYRQKZNPTWKI-XAHLIAEXSA-N 411.586 4.674 0 1 HJAF biogenic COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)cc1 586909565 YOYLUCZJNWMPSZ-HNNXBMFYSA-N 416.433 4.723 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccc(C)c2[nH]1 586934984 FEYCOHWYUSZGKX-QGZVFWFLSA-N 417.600 4.569 0 1 HJAF COc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)ccc1Br 586978262 ZPUBDHYGGRAPBU-XVNBXDOJSA-N 409.081 4.662 0 1 HJAF Cc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br 587008560 YKINPXIUHSJINN-UHFFFAOYSA-N 406.081 4.711 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587016404 VIDZNUSEGBHQHS-UHFFFAOYSA-N 413.300 4.754 0 1 HJAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)cc12 587038852 UDPOSBLATLCULU-QMMMGPOBSA-N 408.314 4.617 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240330 SSRXTZMHECWGJI-YIEPVFBUSA-N 422.529 4.666 0 1 HJAF CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443015 SMTQFDVRUXHZJC-YPCDYVTLSA-N 422.521 4.747 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O 587696416 UHQGJJTYDZRYOC-QPFGOUBPSA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2F)N1 587726457 IRTPMCDOGWPHFW-NSPYISDASA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3F)nc2)N1 587728400 SAUBHJFQTVTFOX-WYRIXSBYSA-N 416.269 4.808 0 1 HJAF CCC(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587745474 WGTZDLMKQOIAIG-FKIZINRSSA-N 405.311 4.734 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)cc2)N1 587758723 JDNFASWPCAERES-FKIZINRSSA-N 400.295 4.612 0 1 HJAF Cc1cccc(N2CCC([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)n1 587769728 PMFUZSMNDPVIPU-LHSJRXKWSA-N 418.354 4.784 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]1)(C3)C2 587951327 SOBUBMBJKPYRLE-MEYXOBLXSA-N 416.525 4.548 0 1 HJAF CNc1ccccc1[C@]1(C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961615540 PEVCGTDHHSCOTN-SFHVURJKSA-N 411.265 4.975 0 1 HJAF CCOC(=O)c1ccc([C@]2(c3cccc(OC)c3)NCCc3cc(C)c(F)cc32)cc1 962147800 QOJDFTNDFXIIBK-AREMUKBSSA-N 419.496 4.757 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cnc(NCc2ccccc2)nc1 962394371 AKBMERTXYIIWEU-QHCPKHFHSA-N 415.566 4.636 0 1 HJAF Cn1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(C(C)(C)C)n1 962642098 UGKXJNZQFUETOB-URXFXBBRSA-N 400.570 4.554 0 1 HJAF CCc1ccc(NCC[C@]2(c3ccc(OC)cc3)NCCc3c(C)ccnc32)cc1 963067905 ATTGTWQBMZCLOJ-AREMUKBSSA-N 401.554 4.853 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@@]2(c3c(F)cccc3C[C@@H]3CCCN32)C12CCCC2 963113360 UKLUSESPQOZWDA-MHECFPHRSA-N 400.538 4.995 0 1 HJAF Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCc2cccc(Cl)c2)cc1 1772641410 YAZBVKJWXODWIQ-UHFFFAOYSA-N 421.928 4.808 0 1 HJAF S=C(SCc1nc2ccccc2s1)N1CCN(CCc2ccccc2)CC1 1911586836 IMNHJNMCXFRLOV-UHFFFAOYSA-N 413.637 4.675 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@@H](C=COC(=O)C=C(C)C)[C@@]1(C)CC[C@H](C(C)(C)O)[C@H]2C1 2356438315 AIMMTSCLXAKBFQ-PMNXNIQISA-N 416.558 4.507 0 1 HJAF O[C@H](Cc1ccc(Br)cc1)CN1[C@H]2CC[C@@H]1CC(c1ccccc1)C2 13766695 IYFITMLPVWGURC-ZXJUBJKJSA-N 400.360 4.763 0 1 HJAF COc1ccc2c(C(=O)N(C)CC(=O)O)cc(-c3ccccc3)cc2c1C(F)(F)F 13823593 HKAISLZGACGGMY-UHFFFAOYSA-N 417.383 4.691 0 1 HJAF CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1 13826793 ASDOMWATTDEAHB-UHFFFAOYSA-N 401.304 4.891 0 1 HJAF O=c1c(-c2ccccc2)coc2cc(OC[C@H](O)CNC3CCCCCCC3)ccc12 27103811 XAERELDJUVRJEA-OAQYLSRUSA-N 421.537 4.902 0 1 HJAF O=c1c2cc(F)c(-c3ccc(-n4cccc4)nc3)cc2n(C2CC2)c2snc(O)c12 28569579 CELTZQLWQUANHI-UHFFFAOYSA-N 418.453 4.644 0 1 HJAF C[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](C)[C@H]3O)C(=O)O 38152609 LPHVFIFMGROHAK-ZBDUOKNCSA-N 420.634 4.970 0 1 HJAF CN(C)c1ccc(-c2csc(C(=O)NC[C@H]3CCN(CCC(C)(C)C)C3)c2)cc1 45168434 HGYCBDKJELKPTD-GOSISDBHSA-N 413.631 4.969 0 1 HJAF Cc1cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)nc(NCC2CCCCC2)n1 45337289 DMIYYGKRGRKSMD-FQEVSTJZSA-N 401.599 4.663 0 1 HJAF O=C(Cn1c(-c2nccs2)nc2ccccc21)Nc1ccc(Br)cc1 58632604 GUHIASUSWSGRHY-UHFFFAOYSA-N 413.300 4.561 0 1 HJAF in-vitro CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 64403839 NQXNMHAURUGWTL-HXUWFJFHSA-N 422.916 4.930 0 1 HJAF CC(=O)N(C)c1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 71329822 GBATZJZSCXUUHJ-SNYIIPAISA-N 409.599 4.747 0 1 HJAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCS(=O)(=O)CC2)C(C)(C)CCC1 72107812 RNTROBGWAVUABT-SFZCRTJJSA-N 417.615 4.775 0 1 HJAF O=C(COC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccc(Cl)cc1 95578376 VFNBGKUSQVNYEG-UHFFFAOYSA-N 411.816 4.771 0 1 HJAF COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(C)(C)O)cc1 96177159 ILUZOIBPEBHOQH-NRFANRHFSA-N 419.525 4.693 0 1 HJAF O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 96271767 HGNRDEWQLLLQCB-NTCAYCPXSA-N 420.372 4.704 0 1 HJAF CCOC1(OCC)[C@@H]2c3c(Br)cccc3[C@H]([n+]3ccccc32)C1(C)C 100714912 VSBDNMJNZDGYRX-OALUTQOASA-N 403.340 4.580 0 1 HJAF CCN(CC)CN1C(=O)N(c2ccccc2)C(=O)C1(c1ccccc1)c1ccccc1 103168358 ZCNXUDMPQLHHMP-UHFFFAOYSA-N 413.521 4.698 0 1 HJAF COc1cccc(CN2CCN([C@H](c3ccccc3C)[C@@H](O)c3ccccc3)CC2)c1 169332190 RRGKQTGEVMIBRV-SXOMAYOGSA-N 416.565 4.596 0 1 HJAF COc1cccc2c(NCc3ccccc3)nc(-n3c(OC)nc4ccccc43)nc12 219003894 QRDCUJXACWQPHP-UHFFFAOYSA-N 411.465 4.598 0 1 HJAF C[C@H]1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1ccc(F)c(Cl)c1Cl 226018747 KHHYHGDDNXIWSH-JTQLQIEISA-N 423.250 4.612 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586915184 HRVLISRMLMVNTM-UHFFFAOYSA-N 422.824 4.771 0 1 HJAF Cc1cccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 586964220 ZCDLXUNQSFONQM-UHFFFAOYSA-N 411.918 4.656 0 1 HJAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Br 586975915 HAFNBPZNDHJIAL-GQCTYLIASA-N 401.260 4.666 0 1 HJAF CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(C(N)=O)c2[nH]1 586982458 ZDMUHJMZCCHFKO-UHFFFAOYSA-N 402.292 4.516 0 1 HJAF Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 586983849 JWMLULVHQHEQKD-ZDUSSCGKSA-N 409.125 4.639 0 1 HJAF Cc1c(-c2ccc(OC[C@@H]3CO3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990414 DSHIQZJPWSZXGW-QGZVFWFLSA-N 409.441 4.905 0 1 HJAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)cc1 587243320 BLCHSRZWLKNWEI-UHFFFAOYSA-N 400.276 4.904 0 1 HJAF C[C@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345166 YQAFNZWUAKZUEL-UKILVPOCSA-N 414.436 4.991 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)cc1N)O2 587375679 FEERLEYCVSPSJW-JOCHJYFZSA-N 423.310 4.831 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CCC(=O)OCc3ccccc3)c1)O2 587398566 FNCAYFWWNTXPDT-DEOSSOPVSA-N 415.489 4.960 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(F)ccc4C(=O)O)cc1)[C@@H](C2)C3=O 587425497 DKRVRRLEMDMOGI-CVDCTZTESA-N 404.393 4.688 0 1 HJAF COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)[C@@H](C2)C3=O 587426757 PPBITYVQEUKVPW-WNSKOXEYSA-N 415.436 4.535 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccnc3C)c1)CC2=O 587471756 UEAVTAVULMZXHK-QHCPKHFHSA-N 406.482 4.613 0 1 HJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1O 587497457 CIQSDURKBPGPEF-QGZVFWFLSA-N 403.272 4.749 0 1 HJAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21 587552764 SJMGQYLYCYWZBS-GHTZIAJQSA-N 406.825 4.635 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1Br 587558160 QUJSWDINHPYITL-UZLBHIALSA-N 415.214 4.997 0 1 HJAF Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1 587577819 PCYPDZCEVFHWRG-ZJSXRUAMSA-N 416.433 4.799 0 1 HJAF O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622289 IELYUJSHENMMJT-UHFFFAOYSA-N 420.213 4.769 0 1 HJAF O=C(c1ccc2c(c1)CCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656573 NMGZRNKHWFAMIE-UHFFFAOYSA-N 402.400 4.519 0 1 HJAF Cc1cc(Br)ncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587682788 NNCGPHLPOPHWOR-JDNHERCYSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1 587764977 HVMZFRJHCGDHSM-ZSEKCTLFSA-N 417.322 4.513 0 1 HJAF COc1cc(/C=C/[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587807808 NPFFOADXKCADET-LIVVEMJYSA-N 406.295 4.765 0 1 HJAF CC(C)CSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587843440 IFKCXQJIPKYDKC-GTNSWQLSSA-N 410.356 4.750 0 1 HJAF CCOC(=O)[C@@]1(/C=C/c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587851487 CECMYMUGUUTREN-SARCSMLOSA-N 424.335 4.656 0 1 HJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OC)c(OC)c1 618005080 OOGINGJSWXYQQF-MRXNPFEDSA-N 413.499 4.525 0 1 HJAF Cc1cc2c(cc1F)[C@@](c1cccc(F)c1Br)(C(F)(F)F)NCC2 962142856 GKSMYVONOZPABV-INIZCTEOSA-N 406.192 4.987 0 1 HJAF CC(C)c1cccc2c1OCCC[C@]21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962703419 BOUVBVHFVHUREX-SIKLNZKXSA-N 403.444 4.872 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21CCC=C1Br 962963856 YJRKMZUCVLRSBC-QGZVFWFLSA-N 402.254 4.625 0 1 HJAF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@H]1C(C)C 962995820 OXLBMFOWPPFJNH-QHCPKHFHSA-N 415.917 4.712 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(Cl)nc1)c1cccc(C)c1 963587867 XZLDHSWHGRJIIE-FYSMJZIKSA-N 408.929 4.887 0 1 HJAF O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)C[C@@]1(CCO)c1ccccc1 1772580936 VJJOJVPAQRYRQP-DEOSSOPVSA-N 403.457 4.746 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(F)c(C(F)(F)F)c3)C2)cc1 1772601844 BKKYZVRIRABHRV-UGSOOPFHSA-N 410.411 4.699 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@]1(C)CCC[C@@H]2C1=CCCC2(C)C 2356788772 CLIMBDYMVVYQHF-CWMLTSOLSA-N 408.579 4.813 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 12466655 PRBDBNFKRWJHLN-MRXNPFEDSA-N 416.321 4.534 0 3 HJAF CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)O3)c1 61895334 PIGBVSDYPFUCCY-FQEVSTJZSA-N 410.832 4.686 0 3 HJAF C[C@@]12C(=O)N(c3ccccc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 61959815 GCSDUZPEOFFPRM-HUBRGWSESA-N 410.473 4.761 0 3 HJAF COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 64417127 WPQJHJUCAXKHKN-UHFFFAOYSA-N 407.510 4.630 0 1 HJAF CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 64559231 RIPVKVKXBRSNKK-UHFFFAOYSA-N 403.929 4.786 0 1 HJAF COc1ccc([C@@H]2[C@@H](c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2ccccc2)cc1 66260036 BLKAVOAHQYYDIV-DHIUTWEWSA-N 419.477 4.593 0 1 HJAF Cc1c(-c2ccccc2)n(-c2ccccc2)c(O)c([S@@](=O)c2ccccc2)c1=O 100507547 SSVQEEBAOLTVGE-GDLZYMKVSA-N 401.487 4.685 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116825864 XCFOXTRGQAEXQS-OYRHEFFESA-N 420.516 4.505 0 1 HJAF CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 140471207 WYNOAIKTAZXYSQ-UHFFFAOYSA-N 401.510 4.850 0 1 HJAF Cc1ccccc1-n1c(=O)[nH]c2c(=O)oc3ccc(-c4cnc5ccccc5c4)cc3c21 210262037 DEXQEDWOWHBFKW-UHFFFAOYSA-N 419.440 4.949 0 1 HJAF Cc1cc(-c2cc(NC(=O)c3ccc(C(=O)O)cc3C)n[nH]2)cc(C(F)(F)F)c1 230586492 MLGFDWKUOYDRDY-UHFFFAOYSA-N 403.360 4.663 0 1 HJAF in-vitro CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587040798 CCFWKMKSOLTRCL-CYBMUJFWSA-N 423.325 4.551 0 1 HJAF C[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc(Cl)cn1 587080377 UPEBRFCIZVAIMQ-ZCFIWIBFSA-N 404.493 4.547 0 1 HJAF CC(C)Oc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br 587118685 UIHHWHLJVZVWLO-UHFFFAOYSA-N 403.202 4.532 0 1 HJAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1 587161446 OEXUIBDXOAXFQB-UWVGGRQHSA-N 413.621 4.626 0 1 HJAF Cc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F 587170658 SYDKUBZEKCNLGM-UHFFFAOYSA-N 405.451 4.679 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(Br)cc4[nH]3)c2)c1 587232612 WCSYDGSMSRJBRB-UHFFFAOYSA-N 420.310 4.943 0 1 HJAF Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2c1 587341817 XUOBYXTVBLIPFW-LADGPHEKSA-N 402.425 4.762 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587350283 WWHROXXUIGEYMA-ZCYQVOJMSA-N 419.452 4.607 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361508 ZBPVXFDJUQQFFP-LADGPHEKSA-N 406.409 4.577 0 1 HJAF C[C@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370448 BJNFAHHDUTVQPL-NZQKXSOJSA-N 420.465 4.998 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nc4sccn14)[C@@H](C2)C3=O 587450634 GUUBRMNYLJIERW-KSFYIVLOSA-N 402.475 4.869 0 1 HJAF COc1ccc(-c2nc3c(s2)[C@]2(CCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587451173 JBAIKNHLXXVYJQ-MZNJEOGPSA-N 419.502 4.807 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(Br)ccc31)CC2=O 587456743 AUZPSRJNNCKTFA-FQEVSTJZSA-N 403.272 4.750 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)CC2=O 587481885 NEUWHXCJPKAVFA-QFIPXVFZSA-N 404.418 4.982 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccc(OCOC)cc1)CC2=O 587492962 YXVNBKSFXQYDBH-VWLOTQADSA-N 419.477 4.631 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](O)c1ccccc1 587614302 BXSPGIQTFYNPNV-DURWQBQJSA-N 424.452 4.983 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(O)c2)N1 587675260 AKYJOMHPSCPHSS-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706496 QMCYZPZPTBSBPU-QLJPJBMISA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725730 RUOGZUAIQDLFLS-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1 587735763 UYIFLJDKCGPENL-NSPYISDASA-N 404.258 4.537 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587738523 AYPDVCVCLCROFJ-VJTRPSCKSA-N 419.338 4.775 0 1 HJAF Cc1cccnc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754358 LWGJQDJBEFTSQU-BFUOFWGJSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)cc2)N1 587760247 OGLFBLMSBCLQRW-RNODOKPDSA-N 400.295 4.572 0 1 HJAF COc1cccc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 587779628 UXYHHZSEBKHNMI-YBTHPKLGSA-N 401.279 4.769 0 1 HJAF CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587800840 ZURGZZKWPSLFJB-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824104 UFCMIZYSVWGKRN-PKQAIAMASA-N 402.307 4.517 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CO)(c3ccccc3)CC2)N1 587826076 JXKYFLRWANCAQN-NYMDZQDESA-N 418.350 4.822 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(C)nc2ccccn12 587858784 BEQAEPATAATGMV-UHFFFAOYSA-N 415.280 4.900 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 587872283 JKTLCBPMQJJJRA-UHFFFAOYSA-N 404.445 4.783 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@@H]1O 2356761076 HJPCXYKWUOGDSW-QXUYBEEESA-N 414.583 4.572 0 1 HJAF CC(C)CC[C@@H]1C[C@@H]2CC[C@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)[N@]4C[C@@]34O)N[C@@H]2C1 2356767114 PNYWNZNMNZVBPJ-VSDNTRFRSA-N 424.629 4.578 0 1 HJAF C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 6522532 AXOHLJFITRSTNR-DNVCBOLYSA-N 412.530 4.773 0 1 HJAF COc1ccc(C2=NN(C3C4CC5CC(C4)CC3C5)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC 13474152 CSNUCLKQPKBQNG-UZZXDOQESA-N 420.553 4.657 0 1 HJAF CCO[C@H](C)n1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820824 VYXDDSWGPLBVOZ-RXAIFQJESA-N 403.573 4.715 0 1 HJAF COc1cc2c(cc1OC)[C@@H](Cc1ccc(C(=O)c3ccccc3)cc1)N(C)CC2 40567970 WHIQERLHJZCLKP-HSZRJFAPSA-N 401.506 4.707 0 1 HJAF COc1cc(-n2cc(COC/C=C(\C)CCC=C(C)C)nn2)cc(OC)c1OC 66078520 OJFJUDOBVJQALT-LICLKQGHSA-N 401.507 4.502 0 1 HJAF COc1ccc(-c2ccn([C@@H](CC(=O)O)C(C)C)c2-c2ccc(C(N)=O)cc2C)cc1 71295572 GXWASBSVPNVUOG-QFIPXVFZSA-N 420.509 4.910 0 1 HJAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)co1 82069355 IRUGOXLVACXIKK-HXUWFJFHSA-N 421.541 4.509 0 1 HJAF O=c1c(Oc2ccc3c(c2)CCO3)c(Cl)cnn1Cc1cccc2ccccc12 95596086 OQRGVGSGEBDKBU-UHFFFAOYSA-N 404.853 4.825 0 1 HJAF O=C(Nc1cccc(COc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1 96285748 FWDYYWAFAQMPGZ-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)cc1 100109480 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1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(N)ccc12 587748171 VMOTUJAUFDLFHT-YTEVENLXSA-N 409.302 4.977 0 1 HJAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587762984 WCXWWRDVZYLULS-AGKSTNPPSA-N 411.359 4.519 0 1 HJAF CCN1C(C)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21 587773114 IYXKMSLTGBHIAT-XUSGNXJCSA-N 416.338 4.692 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2n[nH]c3ccccc23)N1 587789869 BTDMPGWWXWARNT-ODXCJYRJSA-N 402.311 4.847 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793733 KUWURNHPIRSLIO-FKIZINRSSA-N 400.295 4.910 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCC2)N1 587816068 SWMGLLWOMSHHQD-LRTDBIEQSA-N 402.307 4.979 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)c(Cl)o1 587869186 BJVLBMSCNWWJGN-UHFFFAOYSA-N 413.630 4.785 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@](Cc1ccncc1)(c1ccc3ccccc3c1)NCC2 962925458 NCNJKVKNYGJXIF-MUUNZHRXSA-N 421.544 4.569 0 1 HJAF CCc1ccc([C@@]2([C@H]3CCC[C@H]3C(=O)O)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614181 WRJIFGYHGWTUFQ-VGIWPHODSA-N 423.553 4.545 0 1 HJAF COc1ccc(OC(F)(F)F)cc1-c1cccc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772640086 SMIAYPZORBCKMH-INIZCTEOSA-N 422.359 4.559 0 1 HJAF COc1cc(F)ccc1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 1772657131 BEIARNAEALSWTK-MRXNPFEDSA-N 424.350 4.818 0 1 HJAF COc1ccc(CCCOC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1F 1857555782 WQEUCWAEHCWTPL-JOCHJYFZSA-N 412.505 4.504 0 1 HJAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccc(Cl)cc2)c2ncn(C(C)C)c2c1 61949079 XXPLBAKMURPFCJ-INIZCTEOSA-N 401.894 4.673 0 3 HJAF COc1ccc(CN2CCN([C@H](c3ccccc3C)[C@H](O)c3ccccc3)CC2)cc1 39238999 UIURCITXSXLLPS-KAYWLYCHSA-N 416.565 4.596 0 1 HJAF CCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1OC 40568201 DMAFAIFKUAYPCD-UHFFFAOYSA-N 424.463 4.711 0 1 HJAF O=C(Cc1c[nH]cn1)Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 45228261 XSLUCVISQQPWLH-UHFFFAOYSA-N 411.440 4.940 0 1 HJAF CCC(C)(C)N1Cc2nc3c(-c4cc(OC)ccc4OC)cccc3c(N)c2C1=O 71280639 XXGJRXZALRZGMM-UHFFFAOYSA-N 405.498 4.646 0 1 HJAF CCCN(CCC)C[C@@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 73196003 LMLNCMMVLDEPTP-OAQYLSRUSA-N 401.522 4.503 0 1 HJAF COc1ccc(-c2cc(NCc3cccc4ccccc34)ncn2)c(OC)c1OC 82160374 PGZTWGVYPDRILH-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF COc1cc2c(cc1OC)[C@H](CCCCCOC(=O)c1ccc(F)cc1)N(C)CC2 96923155 ZPWZWAKYHYGBLT-NRFANRHFSA-N 415.505 4.789 0 1 HJAF CCN(CC)C(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 103193286 SWADDJASDXOIKA-ZIKUKEQTSA-N 402.623 4.725 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(OC(F)(F)F)c1 103270573 IIVWPEBDJNADDC-INIZCTEOSA-N 409.404 4.856 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3cccc(C)c3)[C@H](O)c3ccccc3)CC2)cc1 169332187 KIBVFZMXABYOHN-RRPNLBNLSA-N 416.565 4.596 0 1 HJAF CCOC(=O)C1=C(c2ccoc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169715047 IXFMPLDXVRMBSB-ARZGSZHJSA-N 407.466 4.537 0 1 HJAF COc1ccc(NC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 299837008 OAVQROYERMNLFG-UHFFFAOYSA-N 417.509 4.837 0 1 HJAF Cc1ncsc1CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587026133 AWAPZSQLYUYWJQ-UHFFFAOYSA-N 406.227 4.774 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587033368 GUTDZDJJMWKSIK-CQSZACIVSA-N 411.458 4.886 0 1 HJAF O=S(=O)(Nc1ccsc1-c1nc2ccc(F)c(F)c2[nH]1)c1ccc(F)cc1 587170294 NOFLUZDBMNPCQK-UHFFFAOYSA-N 409.414 4.510 0 1 HJAF Cc1c(Br)cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1C 587173365 ZAIYOQDAKOXOJR-IBGZPJMESA-N 403.251 4.710 0 1 HJAF CC(C)CCOc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br 587196433 VOBYDJXOMAQITA-UHFFFAOYSA-N 403.324 4.878 0 1 HJAF COc1cc2c(cc1F)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335117 NWQLHCUXWYGTJA-UPVQGACJSA-N 408.400 4.880 0 1 HJAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350525 GVQKTAUADKVMDX-YKSBVNFPSA-N 422.408 4.722 0 1 HJAF COc1cccc(-c2c(CC(=O)O)c(-c3cnn(C)c3)nc3c2oc2ccccc23)c1 587363422 MYXDLKOJZMIQFN-UHFFFAOYSA-N 413.433 4.684 0 1 HJAF O=C1C[C@](c2ccc(Br)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587506605 ZDVPDZMMOCKQQJ-QFIPXVFZSA-N 423.310 4.960 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587526354 QSUBCSARSXMVCM-NRFANRHFSA-N 404.466 4.679 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587728336 FGPVTNVTSKXNDD-CQLKUDPESA-N 421.241 4.530 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2F)N1 587738487 OUIHJJAMNJCJOM-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF Cc1ccnc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587759230 ZQRNGOCAYKVWLO-RNODOKPDSA-N 400.295 4.706 0 1 HJAF CC(=O)SC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587844194 KUYMCVFECQSQOV-BUXKBTBVSA-N 408.336 4.646 0 1 HJAF O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)CCc2ccccc2)CC1 621476066 DCJLHBXCCOLRRA-UHFFFAOYSA-N 402.494 4.757 0 1 HJAF Cc1c([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cccc1C(F)(F)F 962640657 POSQYLOJPKGLTC-BBRMVZONSA-N 419.321 4.601 0 1 HJAF COc1ccc(F)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1OC 962643281 QIPWKPBARYPKOO-CJFMBICVSA-N 418.512 4.679 0 1 HJAF C[C@]1(c2cc3ccc(F)cc3oc2=O)c2cccc(F)c2CCN1[C@H]1CCSC1 962694884 FHQVAFPZEXIEEZ-QMHKHESXSA-N 413.489 4.698 0 1 HJAF C[C@]1([C@@H]2CC3CCC2CC3)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189829 VXVFBRMKSOWUOG-RIIZRXDUSA-N 401.856 4.999 0 1 HJAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@@H](c2ccsc2)N2C(=N1)Nc1ccccc12 1857561500 XWPSYIQIEDTZLV-MEDUHNTESA-N 407.417 4.859 0 1 HJAF Fc1ccc(N=c2[nH]c(Cl)nc(=Nc3cccc(C(F)(F)F)c3)[nH]2)cc1Cl 1857758281 FSVKMMRKGGWQQP-UHFFFAOYSA-N 418.181 4.667 0 1 HJAF CC=C(C)C(=O)OC[C@]1(C)CC[C@@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]31 2356617840 ULHQJKWCAOIZNP-KGDFXBSSSA-N 416.558 4.651 0 1 HJAF COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1 13762384 MPDSEWFBHJBLOK-QHCPKHFHSA-N 414.436 4.685 0 1 HJAF CCO[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563142 ANSOPDAAFLKBAI-JTHBVZDNSA-N 421.493 4.791 0 1 HJAF CN(C)Cc1ccn2c(-c3ccnc(NC(C)(C)C)n3)c(-c3ccc(F)cc3)nc2c1 28822172 LKXXIAHMIXOBAL-UHFFFAOYSA-N 418.520 4.869 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@H]4[C@H]3CC[C@@H]12 34315786 IVMOGXVDSLYJFW-XUVJQVSKSA-N 424.610 4.956 0 1 HJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@H]3c1ccccc1)O[C@@H](C)[C@H](C)C2=O 38319529 GDBZTZISXRIMID-MPGHIAIKSA-N 406.478 4.942 0 1 HJAF biogenic,in-vitro CCCc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 40412475 SYINEUBTHUUBEW-UHFFFAOYSA-N 409.283 4.550 0 1 HJAF CN(C)Cc1nc2c(sc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)c(=O)[nH]1 45291155 STJQTLCHUQJELE-UHFFFAOYSA-N 419.428 4.765 0 1 HJAF COc1ccccc1NC(=O)Nc1c(-c2cccc(F)c2)[nH]c2ccccc2c1=O 49111411 PTHMTZPNTXNVDL-UHFFFAOYSA-N 403.413 4.987 0 1 HJAF Cc1cc(C(N)=O)nn1-c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 58583275 WLUGPQCJKUOLSX-UHFFFAOYSA-N 413.321 4.984 0 1 HJAF COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)c1OC 82163083 JWBUFMMFDBWKNZ-UHFFFAOYSA-N 416.481 4.779 0 1 HJAF O=C(NCC1CC1)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccco1 82216516 WBGXAUQUAVYBTB-UHFFFAOYSA-N 416.403 4.507 0 1 HJAF O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95893314 BJDZFTPRLIYMBG-RBZQAINGSA-N 424.972 4.596 0 1 HJAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2ccccc2C(F)(F)F)CC1 103269148 RHKQMEJHVDMXBB-MJGOQNOKSA-N 404.432 4.814 0 1 HJAF CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)C1CC1 139058055 AKWVUNUKSDSWAX-NRFANRHFSA-N 410.583 4.888 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C 169323891 CJNYDPBXKCGRGK-RNUBACCDSA-N 402.623 4.580 0 1 HJAF CC1(C)CC(=O)[C@H]2C(=Nc3ccc(C(N)=O)cc3N[C@@H]2c2c(F)cccc2Cl)C1 169722098 YPSXWBIZXVOCLL-WOJBJXKFSA-N 413.880 4.823 0 1 HJAF Cc1cc(Oc2ccc3nc(COc4ccccc4C(=O)O)n(C)c3c2)cc(C)c1N 204554545 YZKHGHNZMSSDGD-UHFFFAOYSA-N 417.465 4.842 0 1 HJAF CCCCS(=O)(=O)N[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C 586932881 KLSGHOUCVHWNAT-HXUWFJFHSA-N 415.559 4.559 0 1 HJAF O=S(=O)(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586976423 KEJKUNFYAXUWAT-UHFFFAOYSA-N 422.087 4.546 0 1 HJAF Cc1csc(SCc2ccc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)cc2)n1 587021025 GSWCUUHSIGZIRK-UHFFFAOYSA-N 408.552 4.989 0 1 HJAF O=C(c1coc2ccc(Cl)cc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 587279459 VCKZRAWYOPYDFA-CYBMUJFWSA-N 421.877 4.509 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1 587330980 GQIWOHWHUOKTBE-XXBNENTESA-N 412.363 4.846 0 1 HJAF C[C@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334328 MAYMEAAJSOTMPZ-NQIIRXRSSA-N 401.796 4.993 0 1 HJAF CC1(C)CC(=O)C(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1 587351468 JWLDILPOXXHFGT-RCZVLFRGSA-N 424.468 4.613 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccccc4Cl)c1C)[C@@H](C2)C3=O 587417229 AVHOMGHFFTWUCK-SBUREZEXSA-N 408.885 4.699 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1C(=O)OC)CC2=O 587457795 NLJAGGYXLCXHRP-GOSISDBHSA-N 419.271 4.600 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Br)cc1 587548178 STVAPDCNQODBGR-OALUTQOASA-N 411.251 4.728 0 1 HJAF O=C(O)CCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569352 HRIYRAOKPYYHLS-XUZZJYLKSA-N 422.408 4.643 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1F 587570276 UTYHKJBPGQUSMT-XXBNENTESA-N 402.381 4.624 0 1 HJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1 587583351 VLNUDABNFJGUOG-WIOPSUGQSA-N 412.445 4.804 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587601822 FUMSQNMGUVXFME-WIOPSUGQSA-N 418.445 4.731 0 1 HJAF Cn1nc(-c2cccs2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611882 KKGYVYMJRJSGFR-UGKGYDQZSA-N 404.447 4.557 0 1 HJAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(N4CCOCC4)cc3)c2c1 587644513 YLGRRMJIJUGCJX-INIZCTEOSA-N 420.509 4.536 0 1 HJAF Cc1cccnc1C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707268 SQBYUAKCXFAKMB-GTNSWQLSSA-N 417.244 4.826 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802321 LDPVWZQFZRHBFH-PRWKNARSSA-N 416.294 4.611 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812171 IPVNXSKYJFZUNB-JRQSSSKMSA-N 404.323 4.786 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(F)ccc2[nH]1 587861241 OWDMZNWUNQSIII-UHFFFAOYSA-N 403.335 4.886 0 1 HJAF CC(C)(CC(=O)O)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587956362 YKRIEHGBKPSXAS-UHFFFAOYSA-N 419.403 4.877 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccncc1)(c1ccc(Cl)cc1)N(C)[C@H](C)C2 962571595 IPNXTQDTPFIZEB-GYCJOSAFSA-N 408.929 4.921 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(Cl)cc(Cl)c3OC(F)F)c3cccc1c32 963022212 IGDQXIDEIARSOC-VVVCHXIZSA-N 413.251 4.738 0 1 HJAF Cc1cccn2c(Br)c([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc12 963102638 FXOWONOEIMKDHZ-YJBOKZPZSA-N 400.295 4.654 0 1 HJAF CC[C@@H]1CCCC[C@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963161135 XHLPSDBOBJYODF-IQGLISFBSA-N 408.542 4.780 0 1 HJAF CC(C)(C)c1ccc([C@]2(C3CC3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232560 OMFUEJFBVAICHU-ZEQKJWHPSA-N 400.522 4.785 0 1 HJAF COc1cc(OC)cc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1 1857551256 SKKVVGMAKSDHSR-UHFFFAOYSA-N 415.493 4.528 0 1 HJAF Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 72136336 OQLAKLCZYCJNAD-VWLOTQADSA-N 417.528 4.945 0 3 HJAF CC(C)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 13797297 YKYWFKHBYWAJDZ-UHFFFAOYSA-N 421.919 4.732 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26387258 FZSXHRMZIAUGIF-JJZNMPMXSA-N 402.623 4.772 0 1 HJAF CC(C)CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@]12CCCN2C 28256736 GJWJBSVJJDAPNU-PZJWPPBQSA-N 407.396 4.954 0 1 HJAF Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccccc3)nc21 28331591 XBWWAXISBXJSMQ-UHFFFAOYSA-N 413.264 4.752 0 1 HJAF CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C)cc(=O)[nH]c3c2)cc1)C(=O)O 28571657 VWOYBFSENDRFBQ-VWLOTQADSA-N 423.509 4.728 0 1 HJAF COc1cc(/C=C/C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O 36454318 PHHGNPRSOPCWFP-GBJSTIRASA-N 414.542 4.869 0 1 HJAF COc1ccc(CCn2c(-c3c(F)cccc3F)nc3cc(C(=O)O)ccc32)cc1 43080417 VHBOCHAQOBTJRQ-UHFFFAOYSA-N 408.404 4.931 0 1 HJAF CCCO[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1ccccc1OC 45498420 XTGYNIBAARSQAR-MSOLQXFVSA-N 419.612 4.725 0 1 HJAF CCN(CC)CCNC(=O)c1sc(-c2ccc(OC)cc2)nc1-c1ccccc1 71341146 JRYZYBGDRAPBMS-UHFFFAOYSA-N 409.555 4.557 0 1 HJAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(CC(C)C)c(C)[nH]4)c3c2)c1C 72177542 RRAZKTAMGLLIPE-UHFFFAOYSA-N 402.546 4.940 0 1 HJAF COc1cccc(CCNc2nc(NCCC(C)C)c3cc(OC)c(OC)cc3n2)c1 82130571 HGKGJMHPQOJPFZ-UHFFFAOYSA-N 424.545 4.768 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc4ccccc4n3)C[C@@H]1O2 84633414 QXUXFJPTWIBBDU-UXSWERMXSA-N 416.521 4.867 0 1 HJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1c(-c2ccccc2)noc1C 100028130 RKTLPLNLALGPKT-LCMCWVSWSA-N 410.470 4.851 0 1 HJAF Cc1ccc([C@@H]2c3n[nH]c(=O)c4cccc(c34)N[C@H]2c2ccc(CN(C)C)cc2)cc1 118617129 GVSORFPHFXQBDJ-UPVQGACJSA-N 410.521 4.592 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@H]2[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]42C)[C@@H]1CC3 140809640 ICSCULPVAJQROK-ILIONMCUSA-N 411.630 4.836 0 1 HJAF O=c1c(Cl)c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc12 146485430 MFJVEKHSXREKED-UHFFFAOYSA-N 419.790 4.992 0 1 HJAF CC1(C)CC(=O)[C@H]2C(=Nc3ccc(C(N)=O)cc3N[C@H]2c2c(F)cccc2Cl)C1 169722100 YPSXWBIZXVOCLL-UXHICEINSA-N 413.880 4.823 0 1 HJAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255221903 JVGYVFLADYRWMJ-BQOXHRMOSA-N 402.619 4.860 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 586961870 MKSISGDSFHMLNR-OAHLLOKOSA-N 403.573 4.636 0 1 HJAF COc1cccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(=O)oc12 586994436 RYXHDKVFYMIPMJ-UHFFFAOYSA-N 421.408 4.934 0 1 HJAF N[C@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(Br)cc1 586997780 UWEYOINKKHHRQQ-GOSISDBHSA-N 420.310 4.799 0 1 HJAF CCc1cc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl 587053018 YSBFMCZMDYZNMX-UHFFFAOYSA-N 418.824 4.651 0 1 HJAF COC(=O)c1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c(F)c1Nc1ccccc1 587176230 IOVOITVCTFMOCJ-UHFFFAOYSA-N 419.391 4.915 0 1 HJAF CCCOc1ccccc1[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338783 ROLQEGGCBWKGSX-ILBGXUMGSA-N 421.468 4.533 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccncn2)[C@H]1c1ccc(F)cc1 587343995 FAFGBQXCRLPCCD-UKILVPOCSA-N 412.420 4.624 0 1 HJAF CCOC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587344593 DDNUNFNHGHMXRI-WIOPSUGQSA-N 420.436 4.982 0 1 HJAF CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587372134 DXHODSCUIJUSFF-KNQAVFIVSA-N 410.470 4.626 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)[C@@H](C2)C3=O 587421207 OGFQMGVEKNEWRZ-SGTLLEGYSA-N 416.861 4.579 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O 587484650 TVYORBKFCIPSOG-CJFMBICVSA-N 410.510 4.799 0 1 HJAF Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)no1 587577817 PCYPDZCEVFHWRG-URXFXBBRSA-N 416.433 4.799 0 1 HJAF Cc1cccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587605398 ZLDYKGWVEJPMKW-DHLKQENFSA-N 418.445 4.813 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc4ccccc34)c2c1 587648647 CRYFTDIPRMZCMF-UHFFFAOYSA-N 417.408 4.974 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2C(F)(F)F)N1 587712072 NNRRJLPTEIMCCZ-BCTVWOGZSA-N 404.201 4.936 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1 587729673 CRNZFFDHEOOLNX-YBTHPKLGSA-N 418.285 4.751 0 1 HJAF COc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2c1 587857684 MOPYWSBIOGWYLR-HUTHGQBESA-N 407.308 4.830 0 1 HJAF Brc1cnc2c(c1)CC[C@]21c2ccsc2CCN1Cc1ccco1 962703840 HGSDSJNWBBPDHC-IBGZPJMESA-N 401.329 4.747 0 1 HJAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C)c2)NCCc2cnc3c(OC)cccc3c21 963034103 LKXCBXVTYLGKGI-QFQXNSOFSA-N 418.537 4.530 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]12C(=O)[C@H](c1ccccc1O)Oc1ccccc12 963226225 GZCRDQCGVUADNJ-NREPNLDQSA-N 413.517 4.995 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 963234863 RCVSSOPXJGDUIA-WAIKUNEKSA-N 416.500 4.575 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1c1coc2ccc(Cl)cc2c1=O 963269015 DCMWRKUBPAFURV-SFHVURJKSA-N 404.691 4.786 0 1 HJAF Cc1ccc(CN2CCN(C(=S)SCc3nc4ccccc4s3)CC2)cc1 1911581530 GZRXITBDMPQYNT-UHFFFAOYSA-N 413.637 4.941 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@@H]1O 2356344588 CESZWWHNRSDDNY-FKEBYFGASA-N 416.599 4.796 0 1 HJAF CCOC(=O)c1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)cc1F 12474264 SBPFCYOYHVUMBD-UHFFFAOYSA-N 415.417 4.659 0 3 HJAF O=C(Nc1cccnc1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61930565 AMHBMSUKCCLCLB-QHCPKHFHSA-N 409.445 4.878 0 3 HJAF COCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2 2489086 LANXGUFLPYSTFB-HSZRJFAPSA-N 422.569 4.769 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5C)CC4)[C@@H]3C=C12 6268134 QZODJIXEZBBWEI-ISRVLWJBSA-N 420.597 4.660 0 1 HJAF biogenic CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1ccc(F)cc1F 13747605 KWGIQHYUXMRBNF-UHFFFAOYSA-N 413.442 4.624 0 1 HJAF COc1cc([C@H]2OC(c3cc(OC)c4c(c3)OCO4)=C(C)[C@H]2C)cc(OC)c1OC 14435668 VPSNRNADTQYGQE-ODXCJYRJSA-N 414.454 4.588 0 1 HJAF biogenic Cc1ccc(C(C)(C)C)c(S[C@H]2C(=O)C[C@@H](CCc3ccc(O)cc3)OC2=O)c1 14943561 OECDNPOMGNJUPW-GCJKJVERSA-N 412.551 4.976 0 1 HJAF CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)c2c(C)cc(C)cc2C)OC1=O)CC 42888703 DTLWYWFBUKJHGF-JTMAMABZSA-N 402.531 4.589 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCc2cncnc2[C@H]1c1ccc(C(F)(F)F)cc1 43203451 HBSIDFVCWOXNNO-LJQANCHMSA-N 416.378 4.814 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)[C@H](O)C4 49088269 HAOOQCMPFMLAJM-ANJVHQHFSA-N 408.494 4.585 0 1 HJAF in-vivo CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(C(F)(F)F)cs1)C1CCCCC1 72106179 KMBRLEJHWNAZSM-UHFFFAOYSA-N 423.464 4.911 0 1 HJAF COc1cccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)c1 73167582 CUABCZMVBDQUGO-UHFFFAOYSA-N 403.360 4.744 0 1 HJAF CCOc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCc3ccc(C)cc3)n2)cc1 82195948 SHMAQQPDPUHQPD-JOCHJYFZSA-N 421.566 4.802 0 1 HJAF NC(=S)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc2ccccc12 95581616 RDNWDRUSXRDQOG-LJQANCHMSA-N 410.340 4.997 0 1 HJAF O=C(CCCN1[C@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 101023321 CXQUOFVDYCOSEZ-SFTDATJTSA-N 401.909 4.957 0 1 HJAF in-vitro CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(C)cn1)c1ccc(Cl)c(C)c1 118385340 HDLYYBMNXKXSHE-YLJYHZDGSA-N 401.938 4.822 0 1 HJAF C[C@H]1C[C@@H]2CC(=O)N[C@@H](c3ccccc3)[C@@H](C)/C=C/CC(=O)N2[C@@H]1c1ccccc1 169354625 KZQIDWVGSIGTGJ-QWOYPKNJSA-N 402.538 4.808 0 1 HJAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@@H]3CCNC3)cc12 220163951 OMTCYVOOELOTSO-MRXNPFEDSA-N 403.917 4.967 0 1 HJAF CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c21 299867543 YFLIOQCMPHQKCY-UHFFFAOYSA-N 408.542 4.509 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 586917257 RUMNOYRYDDCAPF-BLVKFPJESA-N 403.251 4.681 0 1 HJAF O=S(=O)(/C=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1 586924049 FWANHILYZWRBSN-VOTSOKGWSA-N 402.781 4.560 0 1 HJAF COc1cc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)ccc1Br 586977037 MFVMFHQGOLPVKJ-XVNBXDOJSA-N 424.092 4.973 0 1 HJAF Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br 586983561 DMMLGKWNPCZSGN-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587117115 HGZUHKUEBDOUNO-UHFFFAOYSA-N 413.119 4.764 0 1 HJAF CC(=O)c1ccc(-c2cc(-c3nc4nc(Br)c[nH]c-4n3)ccc2F)cc1 587139434 JFAFHMMWHLNHRR-UHFFFAOYSA-N 411.234 4.743 0 1 HJAF COc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587150002 XWVVZHPTWOCFAS-UHFFFAOYSA-N 419.172 4.963 0 1 HJAF Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 587153169 MPZKHQDGEDXZDX-UHFFFAOYSA-N 416.485 4.945 0 1 HJAF Fc1ccc(-c2cn3c(Cc4nc5c(F)cnc(Cl)c5[nH]4)csc3n2)cc1 587166271 QBEQZGVNUAJYQI-UHFFFAOYSA-N 401.829 4.857 0 1 HJAF Cn1ncc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc21 587336790 AQHVPLSCIUDUTI-LADGPHEKSA-N 402.425 4.692 0 1 HJAF COc1ccc2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359968 TUVKDUBOXNCSST-LADGPHEKSA-N 406.409 4.577 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379434 UVDWSIUOACCJJR-JTSKRJEESA-N 401.890 4.681 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccc3C(=O)O)c1)O2 587398265 DGMXQGQMAIXBCH-JOCHJYFZSA-N 403.434 4.561 0 1 HJAF COC(=O)c1ccccc1-c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587401390 XIFCCARCEORWQK-VWLOTQADSA-N 401.462 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)cc1OC)[C@@H](C2)C3=O 587441750 HKUJXTNPQPERJT-CPJSRVTESA-N 402.446 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587443715 LZYPAIDVGHVTJF-MBSDFSHPSA-N 421.493 4.872 0 1 HJAF CCn1ccc(C(=O)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587516747 VWFQBKXJZDTQLA-QHCPKHFHSA-N 416.477 4.708 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)(c1cccc(F)c1)CC2 587569356 HRTJURCNYBQOQP-ANYOXOOPSA-N 420.436 4.694 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nccs1 587618353 NYPLLWXRYLDHIT-CVDCTZTESA-N 401.443 4.754 0 1 HJAF Cc1ccncc1[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587772223 DZWILMOAQOLRLT-LHSJRXKWSA-N 412.306 4.513 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2 587829244 BLNTZPXJPLSLKR-SULUTDIPSA-N 406.295 4.544 0 1 HJAF O=C(CC1CCN(Cc2cccc(Cl)c2)CC1)NCCc1c[nH]c2ccccc12 653912905 SVUDZLKUEMZXNW-UHFFFAOYSA-N 409.961 4.782 0 1 HJAF Cn1cnc2cc([C@@H]3c4ccc5c(c4CCN3C(=O)OC(C)(C)C)NCCC5)ccc21 961753887 YVBQABXMWYMAHG-HSZRJFAPSA-N 418.541 4.814 0 1 HJAF C[C@]1(Cc2ccccc2Cl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919493 KVHJYBZLWBWKLN-LADGPHEKSA-N 423.896 4.895 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCC[C@H](c3ccccn3)C2)N1 963191331 OYQDGNGVVZNNSO-OPURJYLOSA-N 424.850 4.906 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C1(c2ccccc2Cl)CCOCC1 963614662 YGTZBXXTMMESAW-IVZQSRNASA-N 401.934 4.681 0 1 HJAF c1ccc(-c2cc(OCCCCCN3CCN(c4ccccc4)CC3)ncn2)cc1 1772619359 BZGQXSVFUPEENV-UHFFFAOYSA-N 402.542 4.515 0 1 HJAF CCCC[S@@](=O)c1sc2nc(-c3nccn3C)cc(-c3ccccc3)c2c1N 1772626804 NPFOQDHYGKUBNG-MUUNZHRXSA-N 410.568 4.854 0 1 HJAF FC(F)(F)Oc1ccccc1COc1cccc2o[nH]c(=Nc3cccnc3)c12 1857646037 KTXZHLBKBFICPX-UHFFFAOYSA-N 401.344 4.866 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCC[C@H](Nc3ccc(C(F)(F)F)cc3)C2)c1 1857751724 JSPCNTAEWBTJFE-KRWDZBQOSA-N 408.493 4.991 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2CCC(C)=C[C@H](OC(C)=O)C1 2356652694 MIRFWTNVMCVZIZ-XQUALCHDSA-N 406.563 4.731 0 1 HJAF O=C(O)[C@H]1CCCN(CCOC2(c3ccccc3)c3ccccc3-c3ccccc32)C1 13737918 LHKRFOVRKWCSPL-FQEVSTJZSA-N 413.517 4.772 0 1 HJAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H](c1ccccc1)C(F)(F)F)N1CCCC1 13756440 DDKFVJXTUSAVAA-YRPNKDGESA-N 422.491 4.505 0 1 HJAF O=C1NCN(c2cccc(Cl)c2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 26398667 UGFJOKRDBOWDIA-QFIPXVFZSA-N 417.940 4.519 0 1 HJAF O=C(O)c1ccc(-c2cnc([C@H](O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29135819 YSKMCXYSGIKVAP-OAQYLSRUSA-N 400.434 4.768 0 1 HJAF c1cncc(CCCN2CCc3c(n(CCCN4CCCCC4)c4ccccc34)C2)c1 40465073 LFJJMCRXQLSDQQ-UHFFFAOYSA-N 416.613 4.903 0 1 HJAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O 66102576 WGSZYXOFBZFPTI-PKOBYXMFSA-N 414.292 4.773 0 1 HJAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 82180727 WJCLCKUILKMHAM-INIZCTEOSA-N 404.493 4.728 0 1 HJAF CN(C(=O)Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)OCc1ccccc12 84635820 UFWSAYGCUHFGGW-UHFFFAOYSA-N 420.488 4.843 0 1 HJAF COc1cccc([C@H]2O[C@H](CC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC 84709743 QWYMDKZWOZLJRT-TZIWHRDSSA-N 413.857 4.783 0 1 HJAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104004172 RBTSRCJUCAMYMF-OAQYLSRUSA-N 402.498 4.868 0 1 HJAF CCOC(=O)C1CCC2(CC1)CCN([C@@H](C)c1ccc(Br)cc1)C(=O)O2 146322585 YRGZOCLCGCHBIR-GPWPYBQESA-N 424.335 4.845 0 1 HJAF Cc1cc(OCC(C)C)ccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 221305075 MCZFGYVFLOOEPC-FXAWDEMLSA-N 412.534 4.974 0 1 HJAF C[C@@H]1C=CCC(=O)N[C@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1 254119969 NRHNQHSEKZNYCZ-RGOSMPGBSA-N 402.538 4.880 0 1 HJAF C[C@H]1C[C@H](C)[C@H]2C[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255197523 AZDIWQCQCMRTKK-BRRIBPGJSA-N 413.646 4.771 0 1 HJAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586936225 HYLUMSIGGOCEGP-QGZVFWFLSA-N 420.966 4.584 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3csc(O)n3)[nH]c12 587016969 GILWHOGCVYAXCC-UHFFFAOYSA-N 404.373 4.663 0 1 HJAF C[C@@H]1CCc2sc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)cc2C1 587033616 KVPIXBYWXPWWGG-SECBINFHSA-N 400.447 4.710 0 1 HJAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326130 ABRBNHBPRWDSIR-DFTDMARZSA-N 412.844 4.820 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccncn2)[C@H]1c1ccc(F)cc1 587343997 FAFGBQXCRLPCCD-ZCYQVOJMSA-N 412.420 4.624 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)[C@@H](C2)C3=O 587451018 HYSCKKXJHUKHKU-MHECFPHRSA-N 405.519 4.955 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccc3c(c1)CCO3)CC2=O 587488827 KKRVPYHCAZXNOT-RUZDIDTESA-N 401.462 4.584 0 1 HJAF COc1ccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)no2)cc1 587586579 KSDLRNRONOBMGS-ZJSXRUAMSA-N 415.401 4.759 0 1 HJAF COc1ccccc1C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599702 HKPHKPLRKFQJAG-RCZVLFRGSA-N 404.462 5.000 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC21CCOCC1 587605782 AWSJCQJEPSKFOE-ATIYNZHBSA-N 414.457 4.602 0 1 HJAF CC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587695505 KCWHBYCTUNULSU-JEOXALJRSA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(C(F)(F)F)N1 587707365 UNSXLFRKXMOEMG-MGPLVRAMSA-N 403.217 4.518 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COCC(F)(F)F)o2)N1 587711479 KRLRJZWADJIKIQ-FVMDXXJSSA-N 422.216 4.884 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(F)(F)F)(c2ccccc2)N1 587721899 RMGSVIKRTDAESJ-PIGZYNQJSA-N 418.228 4.902 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(F)c2)N1 587726763 ZOVBWIBKTJBOEK-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF Cc1ccnc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587759233 ZQRNGOCAYKVWLO-ZUOKHONESA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCOCC2)N1 587836167 SEWGSYNJNNQREN-SPLOXXLWSA-N 404.323 4.793 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1 587847612 UWBQQVMCKZWHBT-BBATYDOGSA-N 423.351 4.986 0 1 HJAF COc1ccc(C[C@@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC 587927513 VLAYNRYJVSKQAT-CQSZACIVSA-N 402.498 4.758 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(F)cc1F)N(C)[C@H](C)C2 962569008 MAHLIQZINFNPJK-DGIBIBHMSA-N 412.274 4.710 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CC=C(c3ccc(F)cc3)CC2)N1 962978056 QRZYNLIRZJYNAQ-LAUBAEHRSA-N 407.819 4.819 0 1 HJAF CC(C)Oc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1Cl 963231571 NFMFBEJQQBJRGX-OFNKIYASSA-N 410.901 4.538 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(CF)c3)n3c2CCO[C@H](C)C3)ccn1 1772606672 YGRHWBGOHVCPJU-CQSZACIVSA-N 417.431 4.953 0 1 HJAF COc1c(OC2CCC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@@H]2C 1772618146 JFBMOHODIXKMKJ-ZWKOTPCHSA-N 422.569 4.943 0 1 HJAF COCCN(CCCN1c2ccccc2Sc2ccc(SC)cc21)CCOC 1857538813 CIVJZYLKYNUVCS-UHFFFAOYSA-N 418.628 4.996 0 1 HJAF O=C(O)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 1857637772 AXUNBKOEFUEUBQ-AWEZNQCLSA-N 406.187 4.958 0 1 HJAF CN1CCN(c2ccc(-c3c(-c4cc(F)c(O)c(F)c4)cnc4[nH]ccc34)cc2)CC1 1857652536 KJQYFARJBLRFQX-UHFFFAOYSA-N 420.463 4.633 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)C(C)=CC 2356461911 YZUPVNWKUPXHAT-GOSIJUEPSA-N 400.515 4.859 0 1 HJAF S=C1NC[C@H](Cc2ccccc2)N1CC1CCN(CCCC2CCCCC2)CC1 61924331 ZFNZQYOUPYMSCR-DEOSSOPVSA-N 413.675 4.860 0 3 HJAF Cc1ccc2c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc(=O)oc2c1 72104554 FARZXMULTDWOAB-UHFFFAOYSA-N 403.309 4.730 0 3 HJAF O=C(O)[C@H]1[C@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1 4172273 AJALKHZZBSHUSA-GRADPPADSA-N 422.484 4.655 0 1 HJAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccsc2C(=O)O)cc1 13739749 WICPPDWVFHMITO-UHFFFAOYSA-N 404.919 4.846 0 1 HJAF COc1cc(OC)c([C@@H]2[C@@H](C)[C@@H](C)[C@@H]2c2cc(OC)c3c(c2)OCO3)cc1OC 14610323 ZOPMRKPKXCYODT-UEEQEXNOSA-N 400.471 4.603 0 1 HJAF biogenic,in-vitro CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1C(C)C 27762184 JNPGUXGVLNJQSQ-BGGMYYEUSA-N 403.494 4.598 0 1 HJAF in-vitro Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 28523047 TTWYZLSGGMOKDN-RUZDIDTESA-N 420.601 4.808 0 1 HJAF COc1ccc([C@@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)cc1 29131397 PFLQVLROIVBEDU-DEOSSOPVSA-N 409.551 4.648 0 1 HJAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1cccc(-c2ccccc2)c1 29399145 PEKKXPQQEMTGJG-RORGYSQGSA-N 421.537 4.969 0 1 HJAF c1ccc(CCN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccncc4)=NN23)cc1 38147835 UDGRDEHNLPZGFP-VWLOTQADSA-N 424.548 4.660 0 1 HJAF O=S1(=O)N=C(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 64474585 KJGSDKFOBGSPGX-UHFFFAOYSA-N 411.348 4.965 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 82133324 UOONZKNESGEHCL-FGYAAKKASA-N 406.574 4.744 0 1 HJAF CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccc(Cl)cc4)nc13)C2 103267885 GGTVJORIYQKWBH-NNZMDNLPSA-N 409.917 4.893 0 1 HJAF O=C(Nc1ccc(OC2CCN(CC3CCCC3)CC2)cc1)N1Cc2ccncc2C1 166440819 RXXAIDWFQJXEBI-UHFFFAOYSA-N 420.557 4.663 0 1 HJAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4cc(Cl)ccc4[nH]3)n[nH]c2c1 166773491 ULYGXOXXYSVJRX-UHFFFAOYSA-N 403.829 4.718 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@@H]1CCCO1 169711123 IDWFBPRPZDTKJU-HWHXTQLESA-N 424.585 4.856 0 1 HJAF CC(C)=CCC[C@]1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@H]1O 238786207 FVQOXJFGJXBAIU-RDGATRHJSA-N 422.477 4.672 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c(C)c2[nH]1 586972576 ILSQALDVYQJQOO-QGZVFWFLSA-N 418.360 4.744 0 1 HJAF Cc1nn(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1Br 586978722 DJBUDXMLBSUFGA-UHFFFAOYSA-N 423.620 4.739 0 1 HJAF CC(C)Oc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 587001160 WSLKWXMZSHRZFK-UHFFFAOYSA-N 415.243 4.592 0 1 HJAF CC1=C(c2ccc3nc(-c4nc(-c5ccc(C)cc5)sc4C)[nH]c3c2)NNC(=O)C1 587011908 FDDLVZQJAUIESK-UHFFFAOYSA-N 415.522 4.726 0 1 HJAF FC1(F)Oc2cc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3cc2O1 587018404 ZDORSKDVYUEGLO-UHFFFAOYSA-N 423.404 5.300 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H]1c1ccccc1Cl 587062164 UZGSIEZLBOCDDD-ZMZPIMSZSA-N 419.815 4.615 0 1 HJAF O=C1c2ccccc2-c2cc(CC(O)(C(F)(F)F)C(F)(F)F)nc3cccc1c23 587104229 QLNUJIXKNNXKJM-UHFFFAOYSA-N 411.301 4.844 0 1 HJAF CN(C)C(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121595 DCZPLHSEBPNALN-UHFFFAOYSA-N 409.433 4.597 0 1 HJAF COc1ccc(NC(C)(C)c2nc3cccc(I)c3[nH]2)cc1 587201016 DTDXYIVEGCVJDN-UHFFFAOYSA-N 407.255 4.523 0 1 HJAF CC(=O)c1cc(N)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587332376 GEMHRZRDJINJQF-UPVQGACJSA-N 405.425 4.590 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O 587444975 SVKQPGWSCQYVFC-FDDCHVKYSA-N 421.493 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc3c1OCC3)CC2=O 587457765 MMPHZEIQOACTFF-GOSISDBHSA-N 403.272 4.749 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]nc(C(F)(F)F)c21 587464307 NUABOQCROFBKHP-HXUWFJFHSA-N 408.420 4.920 0 1 HJAF O=C1C[C@@H]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514739 OONNAVWGMUXQRM-RDPSFJRHSA-N 419.521 4.948 0 1 HJAF Cc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587584438 YAWDMYVJWJKGQN-QFIPXVFZSA-N 401.462 4.701 0 1 HJAF C[C@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611157 FSHCQMQCJBAOID-XUZZJYLKSA-N 421.518 4.927 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncnc(Cl)c2s1 587618162 NJXBYOVLAARRBW-MAUKXSAKSA-N 410.838 4.753 0 1 HJAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)n1 587622158 BPPCMDNVCXSUPL-UHFFFAOYSA-N 422.233 4.500 0 1 HJAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587696211 DMFKITUVNPNSLQ-WLRWDXFRSA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(C(F)(F)F)N1 587701722 CWBCDADOMGMKCY-ABKXIKBNSA-N 403.217 4.511 0 1 HJAF Cc1cccc(N2CCC([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CC2)n1 587765929 FIGHWBZCZUDSKB-QKKBWIMNSA-N 418.354 4.784 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825293 GRMRCKHAZDRQKP-RLXXNNDISA-N 408.355 4.669 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-n2cnnc2)cc1 587860154 MYZJUZGFGGLPOK-UHFFFAOYSA-N 400.269 4.826 0 1 HJAF COc1cccc([C@]2([C@@H]3CCCC[C@H]3C(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)c1 963108403 PCBHJFNOXVTQGN-XSWHYFMGSA-N 423.528 4.989 0 1 HJAF CC(C)(C)n1cc([C@]2(c3ccccc3OCCCF)NCCc3ccc(O)cc32)cn1 963354391 XFYJYRSSGQPMHK-RUZDIDTESA-N 423.532 4.520 0 1 HJAF CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2cc(C(F)(F)F)ccc21 1857609357 AWTFBJQOISNRMJ-UHFFFAOYSA-N 405.464 4.996 0 1 HJAF CC1=C(C[C@]23CCC[C@@H]4C[C@H](C)C[C@H]([C@H](CO)C2)N43)C[C@@H]2CCC(=O)c3ccc1n32 2356467014 ZWUTTYKUKCHEPH-JNJQJFSBSA-N 408.586 4.977 0 1 HJAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@@H]2CCC=C(C)[C@]12C 2356581826 MEYMLQXJGDOBCS-BQNREYIDSA-N 420.546 4.680 0 1 HJAF O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61925634 NFTBRTZBHYACKJ-SFHVURJKSA-N 418.346 4.729 0 3 HJAF COc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2OCc2ccccc2)cc1 61959091 ZWRPMFNBQMCZQN-AZGAKELHSA-N 401.506 4.627 0 3 HJAF O[C@H](CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccccc12 13491134 XRAUKXHGDLZTOE-JOCHJYFZSA-N 403.551 4.695 0 1 HJAF CC(=O)c1ccc([C@H]2C=C[C@H](Oc3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)cc1 13783134 RHEUMQFNOLHRJN-UODIDJSMSA-N 400.474 4.992 0 1 HJAF CCCc1nc(C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28011637 YCFSSPDZKMPHPS-UHFFFAOYSA-N 418.415 4.760 0 1 HJAF Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)NCc4ccncc4)c3)ncn2)c1 39301258 AJNGEQADHMBMLB-UHFFFAOYSA-N 424.508 4.622 0 1 HJAF CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 49067279 SQRJOOHMAHJJTB-UHFFFAOYSA-N 411.855 4.753 0 1 HJAF C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(F)cc3OC)ncc2Cl)c1 66099602 IVRVQNYHBDCDMQ-UHFFFAOYSA-N 414.824 4.938 0 1 HJAF COc1cc(-c2nc(CNCc3cccc4ccccc34)co2)cc(OC)c1OC 72102849 QPQUVHQPOJPIQG-UHFFFAOYSA-N 404.466 4.810 0 1 HJAF CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4cc[nH]c4)c3)o2)c1 95093585 IHIMHHIEKXBTPJ-UHFFFAOYSA-N 423.494 4.883 0 1 HJAF CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95573468 ALVUGHOSJCUAKT-OAQYLSRUSA-N 416.924 4.640 0 1 HJAF OC[C@H](O)c1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1 114592009 CJCUTTNUWPSAAV-KRWDZBQOSA-N 410.779 4.634 0 1 HJAF C/C1=C\Cc2c(O)c(Cl)c(C)c(c2O)[C@@H](O)[C@H]2C(=O)C(C)(C)O[C@@H]2/C(C)=C/CC1 214751469 MWJBWRVMTRFETC-VBZWRQBZSA-N 420.933 4.685 0 1 HJAF O=C(Nc1nc(Cc2nc3cc4ccccc4cc3[nH]2)cs1)c1cccc(O)c1 587019262 JCCGZURNBODSOQ-UHFFFAOYSA-N 400.463 4.721 0 1 HJAF Cc1cc(-c2nc3cc(F)c(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124041 HYOVVXMKBOXFKM-UHFFFAOYSA-N 407.776 4.592 0 1 HJAF COc1ccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(F)c2)c(F)c1 587152825 SATVHNLARYPGCR-UHFFFAOYSA-N 414.433 4.587 0 1 HJAF O=C1c2ccc(O)cc2O[C@](CCCO)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587334476 MTUDRKWJXAZXOO-ISKFKSNPSA-N 410.416 4.697 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587335082 NPLXRRWXAHBLMT-URXFXBBRSA-N 418.399 4.696 0 1 HJAF C[C@H](N(C)C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341844 YTZNQMRKGMOYGF-KXXXHFJOSA-N 405.469 4.736 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(C(C)(C)c1cccnc1)CC2=O 587486538 CHBUKSVAZZNLLO-RUZDIDTESA-N 402.494 4.973 0 1 HJAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593161 COWABNZOIYENDJ-QPPBQGQZSA-N 406.434 4.893 0 1 HJAF CC[C@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593220 KRNKZGDVOHUAIS-HYBUGGRVSA-N 420.417 4.805 0 1 HJAF COc1cc(SC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587613843 PIQOZLHCNLVCIL-REWPJTCUSA-N 424.474 4.834 0 1 HJAF CCN(CC)c1ccc(-c2nn(Cc3ccsc3)c(=O)c3ccccc23)c(O)c1 587669288 HPWPMKAGKFJDNF-UHFFFAOYSA-N 405.523 4.725 0 1 HJAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br 587683309 OKSGJXHMZUXBLR-BCTVWOGZSA-N 416.132 4.785 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C 587699295 PXSTUHSGBVUVSF-KFTBIWSRSA-N 424.697 4.575 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1 587710380 RZBRZLSYSGAOBD-ZYSBLVPFSA-N 408.233 4.639 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)F)c2)N1 587721051 VHFUYSRZZBOXLC-YPMLDQLKSA-N 400.238 4.987 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C)c2-c2ccccc2)N1 587763299 JEHGLZYEQAQPHG-HXPMCKFVSA-N 400.295 4.612 0 1 HJAF CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587794848 HKGXBXMNXZBSKP-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF COc1ccc(-c2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)cc1OC 587928355 DQLAYQINOPKZMP-UHFFFAOYSA-N 400.360 4.723 0 1 HJAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962981600 VIERWSHOOJVHKH-DYESRHJHSA-N 416.855 4.714 0 1 HJAF Cc1cc2cccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2[nH]1 963179473 LRILCIALBZYEHE-KSSFIOAISA-N 408.807 4.837 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cccc(-c2ccc(C(=O)O)cc2)c1 963634624 KZSUBKVEYBVIBO-AKJBCIBTSA-N 417.505 4.867 0 1 HJAF NC(=S)c1cccc(-c2cn(C3CCOCC3)c3cc(-c4cc[nH]n4)ccc23)c1 1857589468 UNVIOHCVVDGXKO-UHFFFAOYSA-N 402.523 4.684 0 1 HJAF O=C(Nc1sc2c(c1C(=O)Nc1ccccc1O)CCCCC2)c1ccccn1 1857762432 YWBNRSCHBQGYEY-UHFFFAOYSA-N 407.495 4.622 0 1 HJAF C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1cccc2c1OCO2 61906165 FLQDSTDMBSICKM-VWLOTQADSA-N 416.477 4.811 0 3 HJAF CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61928693 RZSFGPDYQRBASQ-RUZDIDTESA-N 416.477 4.933 0 3 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 772081 PVLIZRQWKODICW-GMAHTHKFSA-N 422.887 4.930 0 1 HJAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2OC)c1 776227 DSDLQCCDSITUJJ-UHFFFAOYSA-N 408.498 4.976 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5C)CC4)[C@@H]3C=C12 6268128 QZODJIXEZBBWEI-MZAVPQGISA-N 420.597 4.660 0 1 HJAF biogenic COc1cc2c(c(OC)c1)C(C)=[N+](c1ccc3cc(C)cc(OC)c3c1O)[C@@H](C)C2 13359275 WXOAABREETYYJH-HNNXBMFYSA-O 406.502 4.977 0 1 HJAF biogenic O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccccc1Br 13488299 MGLUHKRYEHTUDL-FQEVSTJZSA-N 424.294 4.542 0 1 HJAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc(Cl)cc(Cl)c1 13601661 LVEWJRZGWWMKKI-FQEVSTJZSA-N 424.287 4.539 0 1 HJAF CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12 13611724 SNTNUEYGURUYLJ-UHFFFAOYSA-N 419.550 4.740 0 1 HJAF COc1cc2ccc3c(c2cc1OC)N(C)[C@H](CC(=O)O)c1c-3ccc(OC)c1OC 15045228 ITTVQFYNAAJGHT-QGZVFWFLSA-N 423.465 4.507 0 1 HJAF biogenic O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1 28353167 VTWUFVAKJVRFNV-XWCIJXRUSA-N 402.368 4.527 0 1 HJAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN(C4CC4)C4CC4)ccc32)cc1 28818103 QTAUJHKCILRJMG-AREMUKBSSA-N 406.570 4.668 0 1 HJAF O=C1CC[C@H](CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1 45322110 QVNXDQSVSCOBNT-JOCHJYFZSA-N 418.025 4.609 0 1 HJAF Cc1nccc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)n1 73197128 TWGUONSTRXYYMR-UHFFFAOYSA-N 412.827 4.896 0 1 HJAF Cc1nn(Cc2cccc(F)c2)c(C)c1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12 96282979 JJYRLIVLBDHFEU-UHFFFAOYSA-N 400.461 4.631 0 1 HJAF CN(C)C1(c2ccccc2)CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 146921815 WSUPDQUMAIPDOD-UHFFFAOYSA-N 421.006 4.656 0 1 HJAF CC(=O)Oc1cc2c(cc1C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C 149699041 UDSKICOBWGFUCN-HOUBMWHVSA-N 402.531 4.798 0 1 HJAF CNC(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 205359080 GFFFXMAEPLODCS-UHFFFAOYSA-N 409.452 4.501 0 1 HJAF Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 253782423 OEHMLOUHECZJOD-BLTAGBQOSA-N 406.570 4.847 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)c1cc2ccccc2s1 299829673 HVMAQSLARBTRND-QFIPXVFZSA-N 412.942 4.818 0 1 HJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586962233 CLNRBHPAJPJOJL-SECBINFHSA-N 415.263 4.651 0 1 HJAF Clc1ccc(OCc2nc3cc(Br)cnc3[nH]2)c(Br)c1 586978253 YJRPDMNVKKHRPA-UHFFFAOYSA-N 417.488 4.715 0 1 HJAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(N)ccnc5[nH]4)c23)cc1 587038137 LJJCIHXMYWUBSP-UHFFFAOYSA-N 404.524 4.813 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2cc1OC 587067726 MSMRPMFOKGZIKT-UHFFFAOYSA-N 422.868 4.838 0 1 HJAF CCOc1ccccc1[C@](N)(c1nc2ccc(OC(F)(F)F)cc2[nH]1)C(F)(F)F 587093576 UUHHERONBKLSCY-INIZCTEOSA-N 419.325 4.625 0 1 HJAF Fc1cc(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127389 SDPIZOVHZVBBEG-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(OC)c4[nH]3)cc2)cc1F 587147046 CGXBIEZPIFHLMH-UHFFFAOYSA-N 403.457 4.718 0 1 HJAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326672 CYHPWJQCCPFVTE-AUSIDOKSSA-N 423.827 4.700 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CC(NC(=O)OC(C)(C)C)C2)C1 587471429 SSGIJRPTJCEGDI-UHFFFAOYSA-N 401.503 4.516 0 1 HJAF COCOc1ccc([C@@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516271 VESSQJXMBPAGIQ-AREMUKBSSA-N 415.489 4.852 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc2c1OCOC2 587551741 JDLIMBWHNJETPE-PGRDOPGGSA-N 410.809 4.615 0 1 HJAF C[C@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554399 XGQDMLDLUSLXBX-PGRDOPGGSA-N 406.825 4.799 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 587571419 ODWPQJJHODPTJL-AUSIDOKSSA-N 402.381 4.624 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)C 587599008 ZPDLWNYSMRESOH-QPPBQGQZSA-N 406.434 4.891 0 1 HJAF COc1c(F)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722917 UKWDXPWLRNOPSZ-LZVRBXCZSA-N 400.238 4.673 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3F)c2)N1 587726860 LUEAIXSJDJQMPY-JEOXALJRSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1 587769179 XSSMXQPKNQHMPE-ZSEKCTLFSA-N 417.322 4.513 0 1 HJAF Cc1cccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587769791 QFUJYLQJVBOSGD-OAHLLOKOSA-N 403.339 4.927 0 1 HJAF CCC[C@H](CC1(c2nc3ccnc(N)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781025 BWTUFYHBPUAIJO-GOSISDBHSA-N 406.530 4.902 0 1 HJAF O=C1Nc2cc(OC(F)(F)F)ccc2[C@]12NCCc1cccc(-c3ccccc3)c12 962673440 YQTBGKLLQGUAFS-JOCHJYFZSA-N 410.395 4.594 0 1 HJAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962674150 VTALUWABOBBMHH-DNQXCXABSA-N 423.582 4.659 0 1 HJAF Nc1cccc(Br)c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962695809 FMTMJTCAFXEKPS-CWTRNNRKSA-N 407.352 4.623 0 1 HJAF Cc1cc(OCc2ccccc2)cc(C)c1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962901601 RCMJEXGCILPVLS-URXFXBBRSA-N 405.469 4.710 0 1 HJAF COc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)ccc1OC(=O)C1CC1 962997987 NOSAWFKVNMSIAY-QHCPKHFHSA-N 420.534 4.615 0 1 HJAF COc1ccc([C@@]2(CC(C)(C)C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962998240 TZENHXXFQNBBMX-HTAPYJJXSA-N 423.887 4.906 0 1 HJAF CCOC(=O)CCCCCC[C@]1(C2CC2)NCCc2cnc3c(OC)cccc3c21 963029535 DHXZNUDDJUCXLL-RUZDIDTESA-N 410.558 4.898 0 1 HJAF Cc1c(F)cccc1[C@@]1(CCCC(=O)O)c2cccc(Br)c2CCN1C 963282863 ZGVCEHVEPGFZKU-NRFANRHFSA-N 420.322 4.883 0 1 HJAF Cc1c(O)ccc2c1[C@H](c1cc(Cl)ccc1OCc1ccccc1)N[C@H](C(=O)O)C2 963469886 LHDYEWUXZJZLMX-CVDCTZTESA-N 423.896 4.621 0 1 HJAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2NC(=N)C1 1772643792 HCIPFSHBZUQHHC-UHFFFAOYSA-N 422.504 4.903 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc3cc(OC)ccc3s2)cc1 1857770100 ARXXWFYAHNDCFT-MDWZMJQESA-N 402.541 4.506 0 1 HJAF CCN(CC)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccccc1 1911582853 AEQRMVKVVOLAQV-XDJHFCHBSA-N 420.532 4.624 0 1 HJAF CC1=C[C@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356379901 LGKRCSMESNCLNG-ZVDOUQERSA-N 413.537 4.605 0 1 HJAF CCCCCC12CCC(c3cc(=O)c4cc(OS(N)(=O)=O)ccc4o3)(CC1)CC2 3818814 MFLSJNGKHBHZDJ-UHFFFAOYSA-N 419.543 4.548 0 1 HJAF COc1ccc([C@H](CC2(c3ccc(OC)cc3)SCCCS2)NC(C)=O)cc1 5856203 FWXAKPJMNPESII-NRFANRHFSA-N 417.596 4.994 0 1 HJAF COc1cccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1OC 8611214 BAMXYDQZSRALCS-UHFFFAOYSA-N 416.477 4.560 0 1 HJAF COc1cccc(-n2c(CCc3c[nH]c4ccc(F)cc34)nc3ccccc3c2=O)c1 13821529 QTASYIGMDJHPPK-UHFFFAOYSA-N 413.452 4.800 0 1 HJAF COC(=O)[C@H](C)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br 28878271 GNEKACMSTLLWKM-JNHVRKDWSA-N 400.357 4.662 0 1 HJAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1 29407943 FQZXNMTTYNRQMB-QDNWOOLPSA-N 411.256 4.791 0 1 HJAF O=C1c2ccccc2C(=O)N1CCCCOc1cc(C(F)(F)F)nc2ccccc12 96909957 JTAPFYBSNMSAJH-UHFFFAOYSA-N 414.383 4.709 0 1 HJAF Cn1cc(C(=O)Nc2ccc(F)cc2F)c(OCc2cccc(C(F)(F)F)c2)n1 103275096 IXKVUFGIDWGVEK-UHFFFAOYSA-N 411.330 4.548 0 1 HJAF Oc1c2cnnc-2nc(SCc2ccc(C(F)(F)F)cc2)n1-c1ccccc1 103975530 HOIFQLJCYKXHNS-UHFFFAOYSA-N 402.401 4.784 0 1 HJAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)c(F)c2O1 143466893 GTLDTNDJMLRUIB-MRXNPFEDSA-N 417.868 4.788 0 1 HJAF O=C1NC(=O)[C@H](N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(Cl)cc2)S1 169298834 DMNJHQHXDDKPBO-TZIWHRDSSA-N 421.909 4.953 0 1 HJAF O=C(Nc1ccccc1)[C@@H]1CC[C@]23CCN(CC4CC4)C[C@@]2(Cc2ccc(O)cc23)C1 169727645 YLMCBOPBZSKALW-SACAOSOOSA-N 416.565 4.727 0 1 HJAF Cn1c(CN2C[C@@H]3[C@H](COc4cccc(-c5ccccc5)c4)[C@@H]3C2)nc2ccccc21 253665545 DJHVINVBCJUYRT-BKFWDETESA-N 409.533 4.997 0 1 HJAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(C(F)(F)F)cc2C)CC1 261127514 KNLWVUPAERCOSC-CTYIDZIISA-N 414.859 4.556 0 1 HJAF COc1cc(NC(C)=O)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987361 DSGONAPYUQBEPT-UHFFFAOYSA-N 410.429 4.786 0 1 HJAF CC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027974 VHQJXFASBNBBIQ-WMQCIHAUSA-N 407.539 4.902 0 1 HJAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587042077 ICLGQAUHOYMGDD-LLVKDONJSA-N 407.845 4.735 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)ncc(F)c2[nH]1 587077204 UDZDSWMOSSDAEG-UHFFFAOYSA-N 419.641 4.948 0 1 HJAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355691 ZHDMDTOZAOZHHR-WXVUKLJWSA-N 412.457 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccccc2Cl)c2ccccc21 587379452 UXNNLNDGXTWKSD-XMMPIXPASA-N 418.880 4.638 0 1 HJAF CCOC(=O)c1ccc(-c2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393309 FTFOVZUXJCHLTN-OAQYLSRUSA-N 402.450 4.522 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C5OCCO5)cc4)cc1)[C@@H](C2)C3=O 587455734 PSNYRAVAODUFTH-SQJMNOBHSA-N 414.457 4.896 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O 587464407 PNSBRRJAWFHTJX-OAQYLSRUSA-N 422.399 4.787 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)CCCC3)CC2=O 587490871 SLNHOSJRAZCMEQ-RUZDIDTESA-N 408.494 4.949 0 1 HJAF O=C1C[C@@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587519263 XFLSMSBLNNXZRS-OUDXUNEISA-N 417.505 4.700 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591137 USUPULKRVFBEFK-YADARESESA-N 421.449 4.556 0 1 HJAF Cc1cnc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615086 VNDMZQOMMAWPGG-NQIIRXRSSA-N 404.447 4.651 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2OC(F)F)N1 587719072 PGZSRKMAULYBCO-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587744654 SDYTYWQLVYWOLR-YEJXKQKISA-N 419.338 4.983 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1 587754708 KUBOIHPUUFRTDF-CRTZDJKQSA-N 415.347 4.641 0 1 HJAF Cc1noc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587791051 FHHUONVLWFINQZ-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)OC(C)(C)C)CC2)N1 587797290 VZMXXBSNMCTWEZ-CIQOGTPDSA-N 412.343 4.850 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587808377 ZFQHFSQMNKTAOX-MQJDWESPSA-N 414.322 4.766 0 1 HJAF CCCCOc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1OC 587870825 SMBCXSRUFMVREF-UHFFFAOYSA-N 412.461 4.964 0 1 HJAF COC(=O)c1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1OC 587936598 VPNBBTILLJNHNG-UHFFFAOYSA-N 406.482 4.617 0 1 HJAF C[C@@]1(Cc2nc(-c3ccccc3)no2)c2cccc(F)c2CCN1[C@H]1CCSC1 962713199 QOSIXJGJEJVRHW-GAJHUEQPSA-N 409.530 4.697 0 1 HJAF Cc1cccc([C@@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962904150 BYKMOIUYGXOVJM-DHLKQENFSA-N 404.485 4.543 0 1 HJAF COc1ccc2c(c1)[C@](c1cccc(OC)n1)(c1ccc(C)cc1C)N[C@H]1CC[C@H]21 962994745 LUYMSSAZKQTTFJ-SEIBCYHCSA-N 400.522 4.857 0 1 HJAF Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)NCCc3c(C(=O)O)cccc32)c1 963132496 QNOAUJLWSRSNIH-RUZDIDTESA-N 418.562 4.653 0 1 HJAF Cc1c(O)ccc2c1[C@@H](c1cc(Cl)ccc1OCc1ccccc1)N[C@H](C(=O)O)C2 963469887 LHDYEWUXZJZLMX-WMZHIEFXSA-N 423.896 4.621 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(Oc4ccncc4)cc3)C2)cc1 1772620461 MUNBLJOAYPUZCB-BVZFJXPGSA-N 417.509 4.729 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C(=O)OC)cc1 1772630184 DFPGTBQSUDPBSU-KSFYIVLOSA-N 417.933 4.728 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13 2356564076 SZDAYVWJPZICBE-SOWXURCCSA-N 414.678 4.663 0 1 HJAF CC(C)[C@]12CC[C@]3(C[C@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O3)[C@H]1C2 2356605024 OYVVKPBNGPLGSG-GPSVJYLHSA-N 406.478 4.832 0 1 HJAF CC(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61930620 WZUWZLVSIXDIFT-VWLOTQADSA-N 401.510 4.530 0 3 HJAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCNCC1 13472793 AVQNSHZBOYOSQZ-UHFFFAOYSA-N 416.884 4.553 0 1 HJAF O=[S@]1c2cc(Cl)ccc2[C@@H](OCc2ccsc2Cl)[C@H]1Cn1ccnc1 13775808 SGGPTWOKOWSTAR-WHEFHEQHSA-N 413.351 4.699 0 1 HJAF O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 29132530 MEVGYBUXWXTZND-QFIPXVFZSA-N 410.901 4.648 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C 40447768 GLSZMIVCBQXSEA-UBDZSXNSSA-N 402.623 4.725 0 1 HJAF CC1=NN(C(=O)Nc2cc(C)cc(C)c2)C(C)=NN1C(=O)Nc1cc(C)cc(C)c1 40504847 IITSRBXVNBKMKY-UHFFFAOYSA-N 406.490 4.969 0 1 HJAF O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccccc3)C[C@](O)(c3cccc(Cl)c3)[C@@H]12 40764095 TZRCONQQNUMALV-DYZUWXGSSA-N 417.892 4.783 0 1 HJAF CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3cccc(Br)c23)cc1 72110434 UQESBGWHJZQQAM-UHFFFAOYSA-N 422.286 4.595 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 81162481 RFIYLZGMGGONQR-QFJXAUAASA-N 413.646 4.626 0 1 HJAF COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4)nc(N)nc3[nH]2)c1 82149834 HYEKNWJYVDRRLK-UHFFFAOYSA-N 409.877 4.545 0 1 HJAF COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N3)cc1OC 102656267 FGDAFRKUUBRGOP-NRFANRHFSA-N 402.454 4.634 0 1 HJAF O=C(O)Cc1cccc(-c2ccc(F)c3c2CN(C(=O)OCc2ccccc2)CC3)c1 144072103 KUEDETCKNQYQAP-UHFFFAOYSA-N 419.452 4.815 0 1 HJAF C/C=C/C=C/C(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC)[C@@H](C)O 147079571 MSOGYPHNYBMBDW-AEBYKUGYSA-N 408.627 4.802 0 1 HJAF CCNc1nc2ccc(OC)cc2cc1Cc1cncc2cc(OC)c(OC)cc12 148611899 LDBBGSCFQQCQIP-UHFFFAOYSA-N 403.482 4.831 0 1 HJAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@@H]3C)nn1C 169702159 NXXCXDMGBYEFMS-LBPRGKRZSA-N 419.920 4.643 0 1 HJAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cccc(Cl)c3)c2)c2cncnc21 169707887 ITRVFBOJAFSPQT-UHFFFAOYSA-N 419.872 4.544 0 1 HJAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3cccc(F)c3)c21 169722230 BDEXBHZFFRSETC-OAQYLSRUSA-N 422.387 4.853 0 1 HJAF Cc1ccc2nc(Sc3sc(N)nc3C)n(-c3ccc(Cl)cc3)c(=O)c2c1 299831975 PHYUFIRNNLULLS-UHFFFAOYSA-N 414.943 4.846 0 1 HJAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(Br)cc3F)nc12 314251776 SOWSNUNGWQBHBT-UHFFFAOYSA-N 414.028 4.592 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)c(Br)cc3[nH]1)C2 586888043 VYUGLANPDWBBQD-LPEHRKFASA-N 410.109 4.727 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587112053 GMWGSEVFVVFDJP-MRXNPFEDSA-N 417.218 4.683 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C(C)=O)cc3[nH]2)c1 587147581 UWPIEPZVRAXJFY-UHFFFAOYSA-N 404.397 4.945 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn3ccnc(Cl)c13)O2 587382608 QOEHBRKIHMCTNF-QGZVFWFLSA-N 404.857 4.647 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)cc(Br)c1O)[C@@H](C2)C3=O 587411116 BSCFTGKMTWOXCY-RBZFPXEDSA-N 417.299 4.950 0 1 HJAF CCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587451309 NAPYMJRNWVFAOB-KOSHJBKYSA-N 420.486 4.709 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Br)c1 587559648 YJYZNMJHSDOMMG-FXAWDEMLSA-N 415.214 4.997 0 1 HJAF CC(=O)Oc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587602477 YAGXXVLYBIABCV-RDPSFJRHSA-N 404.418 4.637 0 1 HJAF CCc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746511 ZZQXGAZQXSCXTL-ASSNKEHSSA-N 419.338 4.929 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587845338 DVDUFCCRPZTTMY-MGNBDDOMSA-N 412.324 4.601 0 1 HJAF Cc1cnc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856224 WWWRELNGIKYLDH-BMLIUANNSA-N 406.324 4.767 0 1 HJAF O=C(Cc1ccccc1)Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12 653767642 PMZQWTKPBDGCHO-UHFFFAOYSA-N 411.490 4.725 0 1 HJAF Cc1ccnc2c1CCN[C@]2(C)c1cn(Cc2c(Cl)cccc2Cl)c(C)n1 963072840 OPDKKZNUPALSHJ-OAQYLSRUSA-N 401.341 4.659 0 1 HJAF CC1(C)CN[C@@](C)(c2ccc(Cl)c(Br)c2)c2c1ccc1c2OCO1 963390608 LLGGQWHJDBIRMP-IBGZPJMESA-N 408.723 4.976 0 1 HJAF Cc1ccc([C@@]2(c3cccc(Cl)c3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963491374 MWMMHUPJILIZBE-RDPSFJRHSA-N 407.897 4.553 0 1 HJAF CC1(C(=O)N2CCC(c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)CC2)CC1 1772633814 DQFVWKRBMZJJHR-UHFFFAOYSA-N 403.526 4.740 0 1 HJAF Cc1cc(C)cc(Oc2nccc(-c3c(C4CCCC4)nnn3C3CCNCC3)n2)c1 1857543885 AOWKTOCLECPHME-UHFFFAOYSA-N 418.545 4.726 0 1 HJAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 1857584895 CHITYTDFLSGAKD-MRXNPFEDSA-N 402.907 4.692 0 1 HJAF O=c1oc2cc(O)ccc2cc1C1=NN(c2ccc(F)cc2)[C@@H](c2ccccc2)C1 1857636397 MRPLJHVYZYEPMW-JOCHJYFZSA-N 400.409 4.993 0 1 HJAF C/C=C/C(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C(F)F)ccc34)cc12 1911573153 DIUCETHJMMGOGG-DUXPYHPUSA-N 410.424 4.720 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]3C(C)(C)[C@H]1OC(=O)C(C)=CC 2356384847 CVMAUJSKSKXOQX-AGYIPVEHSA-N 416.558 4.650 0 1 HJAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356442419 BNXKKGNFJUFIND-FOSMCWCMSA-N 404.591 4.775 0 1 HJAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35C=C[C@]12C 2356499227 YNGZPMBCHZYUHN-SPTGXSKESA-N 414.678 4.710 0 1 HJAF CC(C)[C@]12CC[C@]3(C[C@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O3)[C@@H]1C2 2356605026 OYVVKPBNGPLGSG-LPDOIZGMSA-N 406.478 4.832 0 1 HJAF Cc1ccc(S(=O)(=O)n2nccc2-c2c(-c3ccc(Cl)cc3)noc2C)cc1 1031691 WFFKVDICECGSHN-UHFFFAOYSA-N 413.886 4.712 0 3 HJAF in-vitro CNc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2C)cc1 13450724 PMBFQONXSHEQKD-CRAIPNDOSA-N 419.491 4.618 0 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4.872 0 1 HJAF OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@H]2c2cccc(Br)c2)CCC1 100616439 KFKULNKNFDKXDF-KRWDZBQOSA-N 411.259 4.972 0 1 HJAF CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100705467 USKMKDKRBHYTLX-AWEZNQCLSA-N 407.495 4.583 0 1 HJAF COc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)c(OC)c1OC 103169410 OEZRKRHLSMETFT-OAQYLSRUSA-N 404.466 4.563 0 1 HJAF CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(c1ccccc1)(N(C)C)CC2 114385691 OZMIXURVHNPRPT-UHFFFAOYSA-N 401.554 4.799 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2cccc3c2ccc(=O)n3C)c2cc(F)ccc2O1 145711776 XQQBZANEVBIZGB-LJQANCHMSA-N 423.488 4.882 0 1 HJAF NCCc1cc(Cl)c(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1O 221748912 RBPHZMPXGUAXDM-UHFFFAOYSA-N 421.305 4.629 0 1 HJAF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]3C1(C)C 255219280 IDOHCEDWHOEHNL-GFEBILAOSA-N 416.694 4.934 0 1 HJAF COC(=O)c1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 299820694 CTOLTKCFARIETR-UHFFFAOYSA-N 415.533 4.621 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)[C@H]3C=C12 504687158 CMTQZHTYEISAFS-WICZROIOSA-N 420.597 4.740 0 1 HJAF biogenic COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1 586886798 QJUQSZWXYVWKNS-IXDOHACOSA-N 402.450 4.781 0 1 HJAF COc1ccc2c(C)c(CCc3nc4ccc5c(c4[nH]3)CCCC5)c(=O)oc2c1C 586917684 FKZIDYBNNLODDK-UHFFFAOYSA-N 402.494 4.959 0 1 HJAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)cc3[nH]2)C[C@H](C)O1 586969287 VNQOWWDEFUTZMM-KBPBESRZSA-N 423.517 4.551 0 1 HJAF C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079586 LIRBPNMTCDRMFO-LURJTMIESA-N 409.593 4.683 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1 587125328 RSFRUVAOJAIOHY-QUBYGPBYSA-N 418.192 4.636 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 587137629 CVLMWFFSUFUQQX-UHFFFAOYSA-N 401.594 4.711 0 1 HJAF Cc1ccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1N 587249628 CTINYTDRUOGVBV-UHFFFAOYSA-N 414.225 4.900 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 587335930 ITYSINXRCSHODF-UKILVPOCSA-N 412.420 4.624 0 1 HJAF CC1(C)Cc2nc(O)ccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345943 KPFQXQQNWFZDHI-RDGATRHJSA-N 419.452 4.859 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(F)cc1 587386543 ZLNVDOFYUGRLOQ-NRFANRHFSA-N 421.424 4.651 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Br)cn1)[C@@H](C2)C3=O 587421036 ZQKZNCRKGFEPEY-HTAPYJJXSA-N 422.278 4.544 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423744 UWYCISZSYSYEOS-AVRDEDQJSA-N 411.379 4.800 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)O)cc1Br)CC2=O 587457387 XWKRRGBKWIJSCK-QGZVFWFLSA-N 405.244 4.512 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(OC)cc3)c1C)CC2=O 587477107 UMPNQWRQXSDNEL-QHCPKHFHSA-N 420.509 4.921 0 1 HJAF Cc1ccn2c(Br)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 587495408 CYVXCTOBEKXFMV-QGZVFWFLSA-N 411.299 4.991 0 1 HJAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)cccc21 587554245 WMUOHPBEWOWTAR-PGRDOPGGSA-N 406.825 4.635 0 1 HJAF CN(c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587572675 UBQXEHHAXNBSPE-QPPBQGQZSA-N 405.425 4.833 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O 587698653 ZHSZJFHAOKVFDS-ZKANADHPSA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2OC(F)F)N1 587719678 QYPGBXAEWZMDPC-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF O=C(O)c1ccc([C@@]2(c3cccc(O)c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963105352 MDNWMUTXFAIAQR-PXDATVDWSA-N 403.453 4.542 0 1 HJAF CC[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12 1857569806 QTLJEHGFCKGGOD-CYBMUJFWSA-N 417.458 4.655 0 1 HJAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 8272022 JEKPMMKYMMSUBJ-UHFFFAOYSA-N 402.401 4.817 0 1 HJAF Cc1cc2c(cc1C)-n1cnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743151 KSTQFXPEVYJNDR-UHFFFAOYSA-N 419.492 4.603 0 1 HJAF CCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 14978313 HNSUAUCSVGHXKG-UHFFFAOYSA-N 404.535 4.918 0 1 HJAF COc1ccc2nccc(C[C@H](C)NC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040749 FNTUCRWCHOTXSC-ZDUSSCGKSA-N 404.388 4.503 0 1 HJAF CCN(CC)C(=O)c1ccc([C@@]2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1 33969119 OKNXWFSWOBEIQA-AREMUKBSSA-N 406.570 4.666 0 1 HJAF CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cnc[nH]5)CC4)cccc3[nH]2)cc1 35943431 KANRBFACLYALQN-UHFFFAOYSA-N 414.557 4.573 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccccc1)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 45298475 QAKRLRPPLBHIRD-CPJSRVTESA-N 415.489 4.677 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC[C@@H](C)c3ccccc3)ccc21 73224422 YDSFNWFKRFQMIV-GOSISDBHSA-N 405.538 4.995 0 1 HJAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1 82180032 BVMHURAMJNXDQT-UHFFFAOYSA-N 400.530 4.632 0 1 HJAF CC/C(=C\C=C\[C@H]1[C@@H](C)C=C[C@H]2C[C@@H](C)[C@H](O)[C@@H](C)[C@@H]21)C(=O)NCc1cccnc1 95594073 PLSKGMVMRBRIRF-UYTYQJMCSA-N 408.586 4.682 0 1 HJAF Cn1cc(-c2ccc(CN3C(=O)[C@](F)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 95594708 WEYBRWSSNNKILJ-IBGZPJMESA-N 407.342 4.500 0 1 HJAF COc1ccccc1CN1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95878560 LQFBZQYXVHLUGY-CVJWPJSTSA-N 418.512 4.851 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)C=CC=CO2)cc1 103178215 CBAPCEBKWQCANY-RUZDIDTESA-N 417.461 4.738 0 1 HJAF C[C@@H]1CCCN1Cc1cccc(-c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 169198162 NUQZSHIWVKTEKO-LJQANCHMSA-N 413.565 4.891 0 1 HJAF C/C=C(/C)C(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]2CC[C@@H]1C3 238732961 UIUJNISMUICRML-IALQOIMWSA-N 404.591 4.631 0 1 HJAF COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Cl 587002360 KDQPTNPDUVZSCC-UHFFFAOYSA-N 405.683 4.580 0 1 HJAF Nc1ncc(-c2nc3ccc(Br)cc3[nH]2)c(-c2ccccc2Cl)n1 587060355 CGINSSXTXZUEGK-UHFFFAOYSA-N 400.667 4.685 0 1 HJAF Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074807 ZWKDZLFWLXGGNV-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF COc1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2n1 587122099 PYRNKVWPYMPSNY-UHFFFAOYSA-N 406.389 4.964 0 1 HJAF CN(CCc1nc2ccc(O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193926 IRSCUQMUZGKSIK-UHFFFAOYSA-N 413.477 4.692 0 1 HJAF CN1CCN(c2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)CC1 587196259 PJIMPFUQDNHERR-UHFFFAOYSA-N 411.553 4.522 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1 587258476 DGRRYMNVBNXPAF-KRWDZBQOSA-N 424.298 4.508 0 1 HJAF CC[C@]1(c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350144 HIXRVUYVXMWQEN-XUZZJYLKSA-N 406.409 4.894 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OC(F)F)[C@@H](C2)C3=O 587424066 WVIQQUXTSVODRG-SJCJKPOMSA-N 411.198 4.548 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442057 IGPVQBBGSCNUPN-YKSBVNFPSA-N 400.430 4.638 0 1 HJAF COCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597274 QMBGJHIRWGQTMG-ZJSXRUAMSA-N 406.434 4.510 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587701212 WTGYTZCYGUEKFP-ABKXIKBNSA-N 400.723 4.780 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(\N)c2ccco2)(C(C)(C)C)N1 587746552 GWMGQEPLAXTLJJ-XDRHSVMASA-N 407.327 4.957 0 1 HJAF Oc1ccc2oc(-c3cc(I)c(O)c4ncccc34)cc2c1 653751695 GMKKSNLKPITLIM-UHFFFAOYSA-N 403.175 4.664 0 1 HJAF COCOc1ccccc1[C@]1(c2ccncc2)c2cc(OC)ccc2CCN1C(C)C 962085874 BOVSQRHIAQHDDR-AREMUKBSSA-N 418.537 4.631 0 1 HJAF COC(=O)c1ccc2c(c1)CCCC[C@@]21c2ccsc2CCN1Cc1cccn1C 962397610 JOEWCWRRCDMWGZ-VWLOTQADSA-N 420.578 4.902 0 1 HJAF Cc1ccc([C@H](C)C[C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963155956 ZOEFMCOBKUCJGT-DFBGVHRSSA-N 406.504 4.526 0 1 HJAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(F)c1 1857593215 JCYUCCPTXQAZHN-UHFFFAOYSA-N 413.374 4.917 0 1 HJAF Clc1ccc(-c2nc3ccc(-c4nccs4)cn3c2CN2CCOCC2)cc1 1857655199 DNISYJMLFLLIPZ-UHFFFAOYSA-N 410.930 4.610 0 1 HJAF O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc4ncccc34)N3CCC[C@@]123 11844527 JPVPWMCTCGVGKK-WYRQLCSISA-N 417.940 4.826 0 3 HJAF O=c1c(-c2ccc(Cl)cc2Cl)cncn1[C@H](CN1CCCC1)c1ccccc1 13488430 QYHVPBIPLXLQGO-OAQYLSRUSA-N 414.336 4.902 0 1 HJAF CCCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585120 HHBKMVVALPPUCL-UHFFFAOYSA-N 403.722 4.743 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26387252 FZSXHRMZIAUGIF-JQOWFYNESA-N 402.623 4.772 0 1 HJAF Cc1ccccc1NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 26949873 UGSQUXYEAXCLHB-PCFUEPOWSA-N 406.570 4.847 0 1 HJAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@@H](c2ccc(Cl)c(F)c2)C1 28883111 PJDNBOOJSSZQPJ-HXUWFJFHSA-N 417.956 4.706 0 1 HJAF CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@H](O)CO)cc2CCc2ccccc21 33889762 MQEQHACDJPEWRB-JOCHJYFZSA-N 416.517 4.592 0 1 HJAF COc1ccc(Oc2cc(Nc3c(F)cccc3C(N)=O)c(C(F)(F)F)cn2)cc1 73166624 NAOPVTWAXICEKG-UHFFFAOYSA-N 421.350 4.883 0 1 HJAF Cc1cc(C)cc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1 113392147 BDKALHLZUBHZCK-UHFFFAOYSA-N 409.497 4.719 0 1 HJAF COC(C)(C)C(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1 144403722 WXNYFVBWOQBXHW-UHFFFAOYSA-N 417.509 4.922 0 1 HJAF Cc1cc(N[C@H](CC(C)C)C(=O)NCCc2ccccc2)nc(Nc2ccccc2)n1 206774328 VLXMCRRZATWOAO-JOCHJYFZSA-N 417.557 4.714 0 1 HJAF C[C@@H]1Cc2c(nnn2-c2ccc(F)cc2)[C@@H](C)N1C(=O)c1cccc(Cl)c1Cl 218497492 KMURBPZFLYXUNM-VXGBXAGGSA-N 419.287 4.861 0 1 HJAF CSc1sc(-c2nc3ccc(C)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919983 JZDXCDHPHJWQPR-UHFFFAOYSA-N 401.966 4.552 0 1 HJAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 586948478 HBORLACRNLIMJY-UHFFFAOYSA-N 409.536 4.676 0 1 HJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586982962 SPQPIEARANRCRS-LLVKDONJSA-N 408.731 4.505 0 1 HJAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc(F)cc2)C1)-c1ccccc1C4=O 586988955 UGZQZOFFTVJFTA-GOSISDBHSA-N 409.416 4.938 0 1 HJAF Fc1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005887 YDMVPRNJFGIOTI-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1 587126854 NMPHBUVCPBJLNQ-JVXZTZIISA-N 405.302 4.633 0 1 HJAF Fc1cccc2c(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)n[nH]c12 587175747 ADTOWUQIXCGQPS-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(C)(C)C 587205819 UMCZKKTUYNACMR-AWEZNQCLSA-N 414.319 4.946 0 1 HJAF O=C(O)C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587353327 OQOHFVOEXHLELI-OJJCTEDXSA-N 418.420 4.748 0 1 HJAF COc1ccc(CC[C@]2(C3(O)CCCCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587448219 AXEJXHCJCFKMKV-RLWLMLJZSA-N 422.521 4.518 0 1 HJAF CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598398 ULFNXPIJISHRDN-RDGATRHJSA-N 418.445 4.511 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2Br)N1 587682517 ZOADLRLLNNHPAN-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2OC(F)F)N1 587722705 ZJAIRRHXXYLECJ-ZKANADHPSA-N 404.201 4.952 0 1 HJAF Cc1ccncc1[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587771310 BUZMOZUDPYELRS-SZNDQCEHSA-N 412.306 4.513 0 1 HJAF Cc1cnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587854983 SREISPVHPOJDKZ-BTDLBPIBSA-N 406.324 4.767 0 1 HJAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587857101 ZQPTVMJOVQWEAM-INWYIAFRSA-N 420.145 4.739 0 1 HJAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587857107 ZQPTVMJOVQWEAM-QTTZVWFDSA-N 420.145 4.739 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)cc1C 587862361 LKZSAXKCPFPGKV-UHFFFAOYSA-N 404.388 4.914 0 1 HJAF Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946088 PHSLHOIXDSPRIZ-UHFFFAOYSA-N 405.216 4.787 0 1 HJAF CN(C(=O)c1cc(-c2ccco2)on1)c1cnn(Cc2ccc(Cl)cc2Cl)c1 621476548 RZYCDTNMOIKUMW-UHFFFAOYSA-N 417.252 4.763 0 1 HJAF Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(NC3CCCC3)nc21 653792908 LDTADWVWCRUXBO-UHFFFAOYSA-N 405.285 4.782 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cnc(NCc2ccccc2)nc1 962394369 AKBMERTXYIIWEU-HSZRJFAPSA-N 415.566 4.636 0 1 HJAF COc1ccc2c(c1)[C@]1(N[C@@H]3CC[C@H]23)C(C(=O)O)=CN(C(C)C)c2ccc(Cl)cc21 962995695 NQWULYRLKBPXSV-NYQDVAGCSA-N 424.928 4.638 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 963075167 QZPYPEPOXIOFAE-SJORKVTESA-N 420.353 4.603 0 1 HJAF CN1CCc2c(Br)cccc2[C@]12CCC=C(NNc1ccc(F)cc1)C2 963288541 DGTOZHRZGJZHQE-OAQYLSRUSA-N 416.338 4.956 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccc(C)n1)c1ccccc1Cl 963612724 TXGGLFQTKMHSBS-GYCJOSAFSA-N 408.929 4.887 0 1 HJAF O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Cl)cc1O 1772583231 WVUWDEDEWLLLIL-UHFFFAOYSA-N 405.473 4.823 0 1 HJAF Cc1nn(Cc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)c(C)c1CC(=O)O 1772618870 ILQFFSHPHIVEDN-UHFFFAOYSA-N 410.477 4.872 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(ccc(OCC4CC4)c3Cl)C2)cc1 1772646897 PHTUVOQJCLOKSG-INIZCTEOSA-N 412.961 4.884 0 1 HJAF CC=C(C)C(=O)O[C@](C)(Cc1ccccc1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356322061 RLXPNRPEBROQKZ-RCZVLFRGSA-N 404.462 4.607 0 1 HJAF CC(=O)Nc1cccc(-c2cc(NC(C)=O)c3ncc(-c4ccc(F)cc4)n3c2)c1 61904793 VIMARYIOLBMOGP-UHFFFAOYSA-N 402.429 4.724 0 3 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@@](C)(O)c3cccc(OC)c3)n2)c1 61927579 OAIHKEQXRNVDOU-QHCPKHFHSA-N 410.539 4.557 0 3 HJAF C[C@@H]1CCCN(c2ccc(Cl)cc2[C@@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)C1 27564688 GNZNTVYPOYQFEC-HZPDHXFCSA-N 414.933 4.694 0 1 HJAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2cc(F)ccc12 28233511 GQTCTQRKCLZYOT-JOCHJYFZSA-N 401.416 4.847 0 1 HJAF COc1cc2c(cc1OC)[C@H](CC(c1ccccc1)c1ccccc1)N(C(N)=O)CC2 28396555 GZZRSHXGXPXWFV-QHCPKHFHSA-N 416.521 4.904 0 1 HJAF CS(=O)(=O)c1ccc(/C(=C\C2CCCCCC2)C(=O)Nc2nccs2)cc1 34231044 BVPVGKONEFCGEO-NBVRZTHBSA-N 404.557 4.539 0 1 HJAF O=C(O)C[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1ccc2ccccc2c1 49069917 PINPTONMGOWFOM-LJQANCHMSA-N 401.384 4.674 0 1 HJAF CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3OC)cc2c1 66066532 BFJBNYIYUUPKMY-UHFFFAOYSA-N 409.482 4.804 0 1 HJAF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1 82139457 LBOFQSCCAIZXLM-UHFFFAOYSA-N 420.532 4.974 0 1 HJAF CCCC1CCC2(CC1)S[C@@H](C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95562701 NHPKDXVEMUZVNS-SIHWAMPKSA-N 404.620 4.885 0 1 HJAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)cc1 143259838 HOZIGBROPOWKIO-UHFFFAOYSA-N 414.396 4.694 0 1 HJAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccc(Cl)cc1 164830274 YGMYSKACIKHPDE-UHFFFAOYSA-N 414.856 4.921 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3cccc(C)c3)[C@@H](O)c3ccccc3)CC2)cc1 169332185 KIBVFZMXABYOHN-SVBPBHIXSA-N 416.565 4.596 0 1 HJAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3ccc(F)cc3)c21 169722224 JWFUUZCLAVKLGU-OAQYLSRUSA-N 422.387 4.853 0 1 HJAF CCN(CC)CCCNC(=O)/C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)OC 206841245 QZHLOJGOYSUBAK-DDVWWNHISA-N 424.372 4.866 0 1 HJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 586882187 MEAABGBQAGMKLU-UHFFFAOYSA-N 407.214 4.532 0 1 HJAF Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 586956909 ZEGVFQYJVJRDPV-UHFFFAOYSA-N 423.925 4.943 0 1 HJAF COc1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 586990860 GYFCUGGCGDNTGK-IBGZPJMESA-N 421.452 4.808 0 1 HJAF Cc1cnc2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 587060808 GGHYDHLHTPGPHZ-UHFFFAOYSA-N 402.889 4.997 0 1 HJAF CCOC(=O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344091 BVXTZTBGDMJRBE-SYYXXDDXSA-N 412.457 4.772 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cnc(Cl)s1)O2 587414770 VUZHEKCYFOOJGT-SFHVURJKSA-N 400.887 4.973 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Cl)cccc41)[C@@H](C2)C3=O 587420252 HYMCPPSMGDTHNK-XDHUDOTRSA-N 402.833 4.584 0 1 HJAF C=CN1CCCC[C@H]([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514681 OHPBHHNFVORXIO-NVQXNPDNSA-N 416.521 4.593 0 1 HJAF Cc1ccccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584156 WVOORLFNRHGNCP-QFIPXVFZSA-N 401.462 4.701 0 1 HJAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602211 XHKGUMRORRAZAE-UNGHYCQRSA-N 402.446 4.851 0 1 HJAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Br)cc1 587628110 IIVWMUFPVDKRHD-UHFFFAOYSA-N 410.626 4.741 0 1 HJAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587716790 DXCUAQWIXZHCQS-DYBLOJMWSA-N 400.238 4.889 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587721183 PBYOXQMGPZOHOH-VVVCHXIZSA-N 414.221 4.707 0 1 HJAF Cc1cnc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856226 WWWRELNGIKYLDH-BTDLBPIBSA-N 406.324 4.767 0 1 HJAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccncn2)CC1 1140342868 BMIWNDUSWHNGHB-UHFFFAOYSA-N 402.929 4.722 0 1 HJAF COCCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)c1ccc2ccccc2c1 1772628586 CSWGKVMTIQCQLQ-HSZRJFAPSA-N 416.565 4.841 0 1 HJAF O=C(NCc1ccncc1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61903620 KWGKMNDBIGLGKX-XMMPIXPASA-N 423.472 4.556 0 3 HJAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1 8624206 DPCCPTJIJMPHEV-VQIMIIECSA-N 407.905 4.771 0 1 HJAF biogenic COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1 28708231 MNSWUSPDBOEDFB-UHFFFAOYSA-N 403.522 4.777 0 1 HJAF CCc1cc(-c2ccc(C(=O)CCC(=O)NCCc3cccnc3)c(C)c2)ccc1O 29123297 RWWZJRYDBYLLIX-UHFFFAOYSA-N 416.521 4.647 0 1 HJAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OC)OC 29313076 MMGAOMDNXVXOEG-FPLPWBNLSA-N 424.386 4.671 0 1 HJAF O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F 40873557 XCSLRYGWAPFQHW-UHFFFAOYSA-N 413.827 4.654 0 1 HJAF COc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccc(O)cc2)c1 72174780 MKGAOLDNWXUYTP-QFIPXVFZSA-N 403.507 4.949 0 1 HJAF C[C@@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)c(F)c1 96168101 ARGFOAZFJGYXCK-XMMPIXPASA-N 402.473 4.641 0 1 HJAF Cc1nc2ccc(-c3n[nH]c4cc(NC(=O)N[C@H](C)c5ccccc5)ncc34)cc2o1 261132789 LNBBMZIBFSDDHD-CYBMUJFWSA-N 412.453 4.957 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586915863 IUSGCOOZOIGPQW-ADLMAVQZSA-N 420.694 4.590 0 1 HJAF COc1ccc2c(c1)[C@@H](CC(=O)O)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990372 DIQGYPZCNVDZBB-QGZVFWFLSA-N 423.424 4.747 0 1 HJAF O=S(=O)(O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587122326 CUBIZDAGDYQGOK-FPYGCLRLSA-N 400.403 4.592 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(CSc3ccccc3)nn(C)c1Cl)O2 587409973 OVCFMUIJZBDNSH-GOSISDBHSA-N 413.930 4.963 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Br)cccc31)CC2=O 587458170 HDQBWWKNGLOPNT-HXUWFJFHSA-N 403.272 4.750 0 1 HJAF O=C1C[C@H](c2cc(Br)c3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587495842 GJFQNBKPAAYVBN-GOSISDBHSA-N 415.283 4.806 0 1 HJAF Cc1cc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2cc1Br 587496629 JEYSURXQQIFSJB-IBGZPJMESA-N 411.299 4.991 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(C(F)(F)F)c1 587544008 DHAXDAYIZAHAKN-FXAWDEMLSA-N 402.324 4.820 0 1 HJAF C[C@@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549496 QIXXQXBWZPHQFU-OXQOHEQNSA-N 401.340 4.683 0 1 HJAF COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C 587574584 BSKCLSUSQDCFEJ-QPPBQGQZSA-N 401.418 4.595 0 1 HJAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600155 MFXXCNDTXJHHPV-PPIORRCLSA-N 402.446 4.925 0 1 HJAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587632107 OYPYZVVVSYSQIU-NSHDSACASA-N 410.873 4.862 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2)N1 587715025 QWUPYYQGHSHHQP-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1 587733882 SRSDMHAUDXNEMK-GIGQVBGESA-N 404.258 4.741 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncccn3)cc2)N1 587775412 QWLXJLFMVHEINF-HXPMCKFVSA-N 414.278 4.794 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2n[nH]c3ccccc23)N1 587800089 ZXEKIIVALQJMNI-MPBGBICISA-N 402.311 4.847 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800499 YDFWXPOADNHZLV-SZNDQCEHSA-N 420.322 4.546 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nccs2)N1 587852191 DXQPPWJOZOBTFV-HXPMCKFVSA-N 403.320 4.871 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@H](C)CCCC(C)C 587869073 AEGOYPLNISXNPE-CYBMUJFWSA-N 414.497 4.910 0 1 HJAF CC(C)N1C(=O)[C@H]([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)C(=O)c2ccccc21 962667734 VFYUHEQMTHWPMF-LEAFIULHSA-N 424.544 4.969 0 1 HJAF C[C@H](NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)c1ccc(F)c(F)c1 1772657488 YDJSOJBFTDYKOG-KKUMJFAQSA-N 410.472 4.508 0 1 HJAF CC(C)n1cc(C(=O)Nc2ccc3n[nH]cc3c2)c2ncc(-c3ccc(N)cc3)cc21 1857558256 PSDSXHNOKLNQQL-UHFFFAOYSA-N 410.481 4.995 0 1 HJAF C[C@@H]1C[C@@H](O)[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356646861 RFIYLZGMGGONQR-DTJBZSGLSA-N 413.646 4.626 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@@]2(C)[C@@H]1[C@@](O)(C(C)C)C[C@H]2OC(=O)C(C)=CC 2356653895 LBJPCDBPHHIOKJ-YYHYCTJNSA-N 418.574 4.896 0 1 HJAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1ccccc1OC 775936 JGGPVBNPUZHMGT-UHFFFAOYSA-N 408.498 4.976 0 1 HJAF CCCCC[C@@H]1[C@H](C(=O)O)[C@H]1[C@@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 4394183 RVDRTVSKBHTUTQ-KJMJZGGDSA-N 423.509 4.624 0 1 HJAF Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3ccnc3C)ccc12 5891738 GBVABSZQMCGJTH-UHFFFAOYSA-N 401.514 4.908 0 1 HJAF O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCc1ccccc1 6916040 UDRVCOTYXYWRAK-UHFFFAOYSA-N 413.521 4.920 0 1 HJAF Cc1nc2cnccc2n1CCCO[C@H]1CC[C@H](c2ccc(Br)cc2)O1 11687523 SPYYTKNLIQGHIL-WOJBJXKFSA-N 416.319 4.787 0 1 HJAF CCCCC[C@@H]1[C@H](C(=O)O)[C@H]1[C@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 13912561 RVDRTVSKBHTUTQ-AYALFZQESA-N 423.509 4.624 0 1 HJAF C[S@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 13919201 BRVYETPRGCQZJA-WQIZZMQYSA-N 415.942 4.975 0 1 HJAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(=O)O)ccc21 28952190 GUSYHQUUVADYSS-UHFFFAOYSA-N 420.513 4.526 0 1 HJAF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1cccc(F)c1 29129309 FBXSIXHDAXQMCE-DNVJHFABSA-N 407.441 4.592 0 1 HJAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1cccc(-c2ccccc2)c1 29399141 PEKKXPQQEMTGJG-ZTFIZQGXSA-N 421.537 4.969 0 1 HJAF O=C1CN2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 31851224 GDBRNGAUUMNIRB-OEPVSBQMSA-N 407.728 4.787 0 1 HJAF CC(=O)c1ccc2c(c1)OC[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)O2 36238014 RDYSIFFUFHBZMZ-LJQANCHMSA-N 424.472 4.579 0 1 HJAF C[C@H](Cc1ccccc1)n1c(-c2cscn2)nc2ccnc(C(F)(F)F)c2c1=O 43011437 VYUWUZPNHSCEGW-GFCCVEGCSA-N 416.428 4.738 0 1 HJAF CN(C)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)c1 45340359 JGQLHJSPLCSGBF-UHFFFAOYSA-N 416.452 4.620 0 1 HJAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(Cl)c(Cl)c3)C[C@H]1C=N2 49807970 RBMNNOQXFUSRIK-ZDUSSCGKSA-N 403.265 4.982 0 1 HJAF COC(=O)c1cccc(-c2cnc(C(=O)[C@@H]3Cc4ccc(-c5ccccc5)cc4C3)o2)n1 71315764 HURHIMGWVUORCU-HXUWFJFHSA-N 424.456 4.788 0 1 HJAF CC(C)(C)OC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184663 KTTZGPKODWVFKY-HXUWFJFHSA-N 401.938 4.814 0 1 HJAF CCCN(CCC)C[C@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 73196002 LMLNCMMVLDEPTP-NRFANRHFSA-N 401.522 4.503 0 1 HJAF C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2C[C@H]1CCCO1)c1ccccc1 82188932 GSTOLCLUHTVNNV-IEBWSBKVSA-N 407.562 4.810 0 1 HJAF CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccc(Cl)cc3)n[nH]c2cc1O 84654503 KDTBSDIWWLRHEI-UHFFFAOYSA-N 405.885 4.785 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CCCCN1 169290418 DXHPRGWXTHSUDR-KZTDUGEZSA-N 403.651 4.899 0 1 HJAF Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc43)ncc21 200690989 FLQIPSJEOPVBPV-DEOSSOPVSA-N 413.569 4.740 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 299811407 NVBZLUSKXDCJBQ-ZBNLQZPSSA-N 402.623 4.580 0 1 HJAF Cc1cc(Cl)cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586939473 URFIVHQEQIRSTG-INIZCTEOSA-N 412.342 4.854 0 1 HJAF Cc1c(-c2nc3c(F)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029463 PDUUWVPTGDSYQC-UHFFFAOYSA-N 419.279 4.614 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc(C)cnc3[nH]2)cc1OC 587057579 PXCISNPIWNTRPV-UHFFFAOYSA-N 422.872 4.856 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3c2)cc1 587088420 NGBJTVARNRTNQJ-CQSZACIVSA-N 413.424 4.892 0 1 HJAF COc1cc(OC)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 587166267 PUXXLLDDZUIJGB-UHFFFAOYSA-N 408.458 4.686 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CC2=O 587475144 MMOOYQYZSCHFER-WNSKOXEYSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O 587484655 TVYORBKFCIPSOG-NLFFAJNJSA-N 410.510 4.799 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587723600 XQJKGIRXGPCBBL-DYBLOJMWSA-N 422.248 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3)c2)N1 587764186 OTTJDNIJPJPXFK-ZUOKHONESA-N 400.295 4.572 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800457 XLICQWLJOUEFJC-QKKBWIMNSA-N 420.322 4.628 0 1 HJAF CCOc1cc(-n2c(O)ccc2OCCc2ccccc2)c(Cl)cc1C(=O)O 587940785 KDRAQBYPBFOXLO-UHFFFAOYSA-N 401.846 4.555 0 1 HJAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@H](c2ccsc2)N2C(=N1)Nc1ccccc12 1857561499 XWPSYIQIEDTZLV-BZNIZROVSA-N 407.417 4.859 0 1 HJAF CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@H]3CC[C@@](C)(C[C@@H]23)[C@@H]1C=COC(=O)C=C(C)C 2356624525 FXXKPLFBIHAEOU-JONKECSESA-N 416.558 4.651 0 1 HJAF Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4csc(C)n4)C3)c2)c1 12430584 MXDJYYWFHXDPMR-HXUWFJFHSA-N 419.550 4.918 0 3 HJAF Cc1ccccc1NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 8594291 AMJUPBPTYAGMPY-UHFFFAOYSA-N 404.495 4.787 0 1 HJAF COc1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc(OC)c3)c2)c1 13493775 OINCIJVZVCFJBI-UHFFFAOYSA-N 406.442 4.992 0 1 HJAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C[C@@H]21 26282577 LOLVHYOCRQVNRM-BWPNAZKDSA-N 417.590 4.808 0 1 HJAF O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(Cc2ccccc2)o1 68205591 JARGLXVLCBBTBN-FQEVSTJZSA-N 413.502 4.869 0 1 HJAF c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)n2-c2ccccc2)cc1 72118188 BOZVLTXDFQQDRD-UHFFFAOYSA-N 401.491 4.998 0 1 HJAF CCCn1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O 72127586 QJRXSMGTYOTUTA-QGZVFWFLSA-N 411.571 4.788 0 1 HJAF COc1ccc(CNc2nc(N3CCCCCC3)nc3cc(OC)c(OC)cc23)cc1 82126988 MVORFCXAYAVYMM-UHFFFAOYSA-N 422.529 4.648 0 1 HJAF COc1ccc2nc3sc(C(=O)N4CCN(C5CCCCC5)CC4)cc3cc2c1 82137902 XCGKGJWWIWNJQZ-UHFFFAOYSA-N 409.555 4.549 0 1 HJAF CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@@](N)(CCCO)C2 85543266 BAHKPRCIMGABLL-AUGUEUGYSA-N 401.591 4.559 0 1 HJAF biogenic,in-vitro CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)c(F)c2)CC1 96273158 BCXSTIRGWDAPDC-UHFFFAOYSA-N 418.516 4.670 0 1 HJAF CC(C)(NS(=O)(=O)c1ccc(NC2CCCCC2)cc1C(F)(F)F)C1CC1 144634022 SAFPVFNYBFBXRR-UHFFFAOYSA-N 404.498 4.917 0 1 HJAF COCc1cccc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1 169708734 OJULZIHGKOEUGD-BOPKNSRXSA-N 417.553 4.616 0 1 HJAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccc(Cl)cc1 261131687 LHQSOEDGCOACPW-FQEVSTJZSA-N 424.884 4.665 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586882930 DAQJMNKSLTXIHT-VMLLCUDRSA-N 403.320 4.970 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc4ncccc4c3[nH]2)cc1 586949933 HUJIAHWCWFJUOF-UHFFFAOYSA-N 414.490 4.887 0 1 HJAF O=C1C[C@H](Cc2nc3ccc4ncccc4c3[nH]2)c2c(Br)cccc2O1 587003046 JHZCAALMJGXPHW-NSHDSACASA-N 408.255 4.509 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(Br)c2[nH]1 587079711 KOKYCGRTBBCRRL-ZDUSSCGKSA-N 407.674 4.842 0 1 HJAF Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587124886 CXBCKZCABKAZAK-UFBFGSQYSA-N 414.229 4.805 0 1 HJAF Cc1nc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1Br 587227533 ZFZYUAJEFICLLW-AWEZNQCLSA-N 409.328 4.785 0 1 HJAF Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657134 WGMPWCDHMDNRLP-OAHLLOKOSA-N 420.415 4.758 0 1 HJAF CCn1ccnc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756581 SGLKQSVUYWAWBE-QKKBWIMNSA-N 414.322 4.631 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789794 BNTMVKHZYJIAIV-PRWKNARSSA-N 416.294 4.611 0 1 HJAF C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 587810044 SVLYGVRBULDCJE-GJWJNDOVSA-N 424.354 4.873 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN3CCCC3)cs2)N1 587847319 KGXBRUWOXKZUBH-CWTRNNRKSA-N 409.368 4.869 0 1 HJAF C/C(=C/[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587849905 WWEGFYSMBGPMKM-QCTWTUAZSA-N 409.368 4.893 0 1 HJAF COc1ccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587864919 UTFFONTYDPZJKK-UHFFFAOYSA-N 407.417 4.831 0 1 HJAF Cc1nc(C)c(CNc2nc(NCCCc3ccccn3)nc(Cl)c2C)s1 653805881 YFEVNZSHYJVISN-UHFFFAOYSA-N 402.955 4.564 0 1 HJAF CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962666869 MAFJMTPLGCCTNH-XMMPIXPASA-N 411.423 4.723 0 1 HJAF Cc1c([C@]2(c3ccccc3)NCCc3c2c(C(C)C)nn3C)oc2ccc(N)cc12 962912994 PZUCBJLKJDETTF-RUZDIDTESA-N 400.526 4.618 0 1 HJAF Cn1ncc2c([C@@]3(C)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)cccc21 962951399 GXXGLMYYYOBNND-OAQYLSRUSA-N 415.459 4.507 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1ccc(OCCN)cc1 963221816 AVCGTYOINXSMSJ-IDISGSTGSA-N 400.566 4.973 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)C(C)(C)c2ccccc2)C(=O)OC)cc1 1772630921 FDLQWPSEHRZGDH-PGRDOPGGSA-N 411.542 4.810 0 1 HJAF CC(=CCCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@H]1O)CCC1=C(C)CCCC1(C)C 1857742902 FGJIDQWRRLDGDB-JRFVFWCSSA-N 416.558 4.855 0 1 HJAF CCCCCc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)o1 1857753546 IJGWUQJURLSAMS-QFIPXVFZSA-N 400.482 4.753 0 1 HJAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@H]([C@@](C)(O)CCCCCC)O3 2356698149 KBDXHODIYPYLNP-YKSBVNFPSA-N 416.514 4.573 0 1 HJAF CC(C=C[C@]1(C)[C@H](C)C(=O)C[C@H](O)[C@@H]1C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O 2356750753 BNHRMTPTNRGWNC-JVXPPLNDSA-N 420.933 4.529 0 1 HJAF Cc1ccc(CNC(=O)[C@]2(C)CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 61904682 QPAZOVPHNBTWFY-MHZLTWQESA-N 412.533 4.512 0 3 HJAF Cc1ccc(-c2c(C(=O)N(C)[C@@H](C)c3ccccc3)n(C)c(=O)c3ncccc23)cc1 583793 VEDXOPSEGUKALQ-SFHVURJKSA-N 411.505 4.742 0 1 HJAF CC(C)c1ccc(Nc2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)cc1 4911703 XJWDALFSQUVJJI-UHFFFAOYSA-N 402.542 4.927 0 1 HJAF COc1ccc2c(c1)[C@@H](SCCN1CCN(c3ccccc3OC)CC1)CCC2 13740686 AMNJEUCLKUVQHU-DEOSSOPVSA-N 412.599 4.637 0 1 HJAF CCCCN1CC[C@@](Cc2ccncc2)(c2ccc(OC)c(OC3CCCC3)c2)C1=O 27325875 TURCQYBAPKWUEP-AREMUKBSSA-N 422.569 4.925 0 1 HJAF O=C1NC(=O)c2c1c(-c1c(Cl)cc(O)cc1Cl)cc1[nH]c3ccc(O)cc3c21 34804123 HYDMUVIJBLUFLR-UHFFFAOYSA-N 413.216 4.590 0 1 HJAF Cc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@@]32C)c1 36189188 OEHMLOUHECZJOD-ZNWKOOHGSA-N 406.570 4.847 0 1 HJAF CCc1cc2c(N3CCN(C(=O)Oc4cccc5ccccc45)CC3)ncnc2s1 45244874 GBMFWLTVUNOEGR-UHFFFAOYSA-N 418.522 4.728 0 1 HJAF CC(C)C[C@@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 72137526 HBABQTRQPFJYJM-MRXNPFEDSA-N 414.354 4.991 0 1 HJAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 73199463 MOORMNDOJHRMHE-UHFFFAOYSA-N 421.341 4.804 0 1 HJAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CO)Cc3ccccc3)co2)cc1 82068950 LQBOPUSWLAQWOS-NRFANRHFSA-N 422.525 4.634 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(F)cc3)n2)C1 82140941 LZPOVGGXTODSDQ-HDICACEKSA-N 418.516 4.695 0 1 HJAF O=C(NCc1ccccc1Cl)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152478 GRIRBBUXRKXDJL-UHFFFAOYSA-N 410.880 4.688 0 1 HJAF CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1 82216397 DSWACHBAMXPMRT-HDICACEKSA-N 410.537 4.637 0 1 HJAF Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2sc3ccccc3n12 84670086 CEPQQIKLVKVNFR-UHFFFAOYSA-N 417.531 4.732 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1 95914286 NEMWYOKGHGSVSC-RDSFTFDRSA-N 415.662 4.563 0 1 HJAF biogenic,in-vitro COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1CCOC[C@H]1N1CCCC1 96172022 WNHILGOMKUGSGK-UKRRQHHQSA-N 417.493 4.510 0 1 HJAF CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12 96175032 LLCBENGUWIODIZ-UHFFFAOYSA-N 423.520 4.975 0 1 HJAF CCN(CC)c1cccc(OCc2cc(=O)oc3ccc(Br)cc23)c1 103223622 VSOYQAVMWYAXJN-UHFFFAOYSA-N 402.288 4.981 0 1 HJAF COc1cc(N[C@@H](C(=O)c2c[nH]c3ccc(CO)cc23)c2ccccc2)cc(OC)c1 218364930 QYWINMVWVNTNSR-XMMPIXPASA-N 416.477 4.714 0 1 HJAF COc1cc(/C=C/C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC 473135226 GSRNIKMCYSQCPI-DHZHZOJOSA-N 402.450 4.999 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1Br 586979635 SJCKENBVHKXTQP-UHFFFAOYSA-N 420.492 4.530 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)c(F)cc2[nH]1 586980523 VRCWUCTYBVIZMD-UHFFFAOYSA-N 413.630 4.518 0 1 HJAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(I)cc3[nH]2)s1 587014870 SCCBQZQDSWUBAC-SECBINFHSA-N 413.284 4.697 0 1 HJAF Cc1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030117 YGCOEEVPSOSFEP-UHFFFAOYSA-N 408.380 4.871 0 1 HJAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2F)c1 587143429 RUVPVGFYTURWRA-UHFFFAOYSA-N 420.835 4.674 0 1 HJAF COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(I)c1 587179608 CBCSFUCBVYNSKE-UHFFFAOYSA-N 420.037 4.545 0 1 HJAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O 587337116 UXEGCYLMEKFPHB-GMAHTHKFSA-N 412.388 4.659 0 1 HJAF C[C@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342617 OKVNYFQGGICMCX-UKILVPOCSA-N 414.436 4.991 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)O2 587403099 FMCGSTYIFBJQTI-IVCQMTBJSA-N 401.462 4.674 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)CC2=O 587478214 RVCJFPTWJNOMPO-GKVSMKOHSA-N 423.509 4.870 0 1 HJAF CN1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 587514910 QIIDIEYYBHANGL-SANMLTNESA-N 403.522 4.673 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1O 587537709 ASIPUPQVJUXQOQ-XLIONFOSSA-N 413.223 4.563 0 1 HJAF Cc1cccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587756849 FXTNNRALKOEHIS-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF Cc1ccnc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587759232 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Cc1cc(C)cc(-n2c3ccc(NC(=S)NC4CCCCC4)cc3c(=O)n2C)c1 61928891 OIAQAZYOVCYOHE-UHFFFAOYSA-N 408.571 4.565 0 3 HJAF O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2sccc2[C@H]1CN1CCCCC1 1913443 AWRJQLFBUIUNHN-LJQANCHMSA-N 422.516 4.921 0 1 HJAF CC(C)CN(CC(C)C)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 2500048 QYDUFVRRJIUUFQ-UHFFFAOYSA-N 410.587 4.870 0 1 HJAF COC(=O)c1c(C[C@H](Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2 6385133 GKFXMNJGHSNROE-QHCPKHFHSA-N 420.549 4.805 0 1 HJAF COc1ccc2c(c1)c(CCC(=O)Nc1ccncc1)cn2Cc1ccc(F)cc1 13556582 XODTYNGCFCDCPM-UHFFFAOYSA-N 403.457 4.804 0 1 HJAF CC(C)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 34545234 IFRHQLQFVOLLIX-UHFFFAOYSA-N 410.901 4.649 0 1 HJAF C/C(=C\c1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 36477697 YPDOLVWKPFGIBB-INFVRCAFSA-N 414.571 4.636 0 1 HJAF C[C@@H]1CN(Cc2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CCO1 66259451 OHDGLYGQXSEPBY-OAHLLOKOSA-N 401.432 4.983 0 1 HJAF COc1cccc([C@@H](O)CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1 71316100 CYXMIZFRSKEIMP-RNXOBYDBSA-N 417.549 4.698 0 1 HJAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 82066631 MIIIIQLBDDVLFR-IAGOWNOFSA-N 411.550 4.899 0 1 HJAF CC(C)CNc1nc(C2=CCCC2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 169280270 LDNHKUNNCYBSDF-UHFFFAOYSA-N 415.541 4.924 0 1 HJAF COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C)C(C)C)cc(OC)c1OC 198700156 GBFXKHLFZQNAQA-SZNDQCEHSA-N 402.487 4.874 0 1 HJAF COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)ccc2c1 221305309 WLNOXYPHSLDGRE-MGPUTAFESA-N 406.486 4.793 0 1 HJAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCCC(C)C)c2n1 224157846 RNQJDYAGBGETGI-UHFFFAOYSA-N 417.517 4.636 0 1 HJAF OCCCCCCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586894434 FITNBEHSYWQOKD-UHFFFAOYSA-N 411.550 4.668 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cs1 587019689 UPMDLHCFIPSJNH-UHFFFAOYSA-N 400.291 4.659 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587042119 IMILJVPDVVHFML-QGZVFWFLSA-N 405.882 4.642 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Cl)ncnc4[nH]3)c(Cl)cc12 587078069 GQSPNZYVWDEWNU-SECBINFHSA-N 419.268 4.859 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1 587191960 PRCDOLJSINZURI-OAHLLOKOSA-N 417.307 4.677 0 1 HJAF O=C(O)CCC[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501961 HJAZRAVXOYVILG-HSZRJFAPSA-N 400.421 4.959 0 1 HJAF CCn1ccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587515620 MRGGHZVPHWFUGC-QHCPKHFHSA-N 416.477 4.708 0 1 HJAF CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705702 NWZNIGAEPNPMHX-PNLYYUIZSA-N 416.640 4.997 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc(F)c(F)c2)N1 587724011 DIOKABGSTOGNRY-YPMLDQLKSA-N 400.238 4.695 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2F)N1 587736970 COLMXLJRUDLOIZ-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF C[C@@H](c1ccccc1)N1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768707 MERGYMPRJSYNMC-WIEQDCTASA-N 403.339 4.785 0 1 HJAF Brc1cnc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc12 587780785 IPOZWNTXAAWUDG-DAXSKMNVSA-N 423.108 4.713 0 1 HJAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587808878 RBRUPKPJEYUIMY-ADLMAVQZSA-N 424.310 4.546 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC[C@H]3CCCO3)c2)N1 587834360 QXJVUUGISPXPMQ-PJUBBZNESA-N 420.322 4.770 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1 587853576 AIQXGHYQVFAARX-CFMSYZGJSA-N 421.379 4.908 0 1 HJAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587857103 ZQPTVMJOVQWEAM-PWCHPLFNSA-N 420.145 4.739 0 1 HJAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1 587928840 CEJLUWRGALLAJI-UGSOOPFHSA-N 404.251 4.621 0 1 HJAF CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 587952574 TZMYYKJZSLNEOZ-VOMCLLRMSA-N 407.383 4.690 0 1 HJAF CC1(C)CCc2ccccc2[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12 962676064 XKKMLGCAAQKISW-CLJLJLNGSA-N 400.522 4.549 0 1 HJAF CC[C@H](C)c1ccc(-n2cccc2[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962924150 NKOYXSXNNZKZDT-BVZFJXPGSA-N 401.554 4.928 0 1 HJAF FC(F)(F)c1cccc2c1[C@H](c1c[nH]c3nccc(Cl)c13)NCC21CCOCC1 962948620 CATNQFUAANTWRX-SFHVURJKSA-N 421.850 4.976 0 1 HJAF CCc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(F)c1F 963194694 QQBDSNKERAFEDC-PBHICJAKSA-N 419.777 4.888 0 1 HJAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(ccc(OCC4CC4)c3Cl)C2)cc1 1772646899 PHTUVOQJCLOKSG-MRXNPFEDSA-N 412.961 4.884 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]3C=C(C(=O)OC)[C@@](C(=O)CCCC)(CC3)[C@H]21 2356350636 HADAHVQGKBBPPW-BGCWTZDDSA-N 412.526 4.819 0 1 HJAF CC=Cc1cc(OC)c(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356444118 KSYLISCRMLSHDL-OAHLLOKOSA-N 402.487 4.773 0 1 HJAF C[C@@]1(C(=O)NCc2cccs2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61906358 NNFYTKMNWNUKIQ-FQEVSTJZSA-N 418.440 4.839 0 3 HJAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)c1 775023 FDCBETYWFIDCBS-WOJBJXKFSA-N 424.472 4.580 0 1 HJAF COc1cc(OC)c(NC(=O)[C@@H]2c3ccccc3COc3ccc(C)cc32)c(OC)c1 13735123 UIVYUUNWZOBBIC-HSZRJFAPSA-N 419.477 4.684 0 1 HJAF COc1ccc([C@@H](c2ccc(OC[C@@H](O)CN3CCCC3)cc2)c2cccs2)cc1 29131476 KPBUBWFUFSHFSA-OFVILXPXSA-N 423.578 4.772 0 1 HJAF Cc1ccc(-c2ccccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 43201234 HVWHSVKRUBHDPE-RTBURBONSA-N 419.500 4.911 0 1 HJAF COc1ccc(N)cc1CN1CCC(=O)[C@H](C(c2ccccc2)c2ccccc2)C1 72106412 HNADAHHCTSBAMF-HSZRJFAPSA-N 400.522 4.501 0 1 HJAF Cc1ccc(-c2nc3c(NCc4cccc(Cl)c4)ncnc3n2C[C@@H]2CCCO2)o1 82181262 UGUUUAAAWIKGDG-KRWDZBQOSA-N 423.904 4.839 0 1 HJAF C[C@@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ncnc(N)c23)cc1Cl 96168372 BXVJSQCJANGSPZ-HSZRJFAPSA-N 419.916 4.550 0 1 HJAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1 100083055 AJALKHZZBSHUSA-OUYJLQGDSA-N 422.484 4.655 0 1 HJAF C(=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1)\c1ccccc1 100108323 TZCNQHQFHJRCDL-JTSFKACMSA-N 410.517 4.526 0 1 HJAF CC1=Nc2ncnn2[C@@H](c2ccc(OCc3ccccc3)cc2)/C1=C(\O)OC(C)C 104032616 ZNNNIBPTBZJBDS-MRJHHRETSA-N 404.470 4.747 0 1 HJAF 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HJAF O=C(OCCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073315 FEOINMZPKHLQND-FQEVSTJZSA-N 412.555 4.928 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)C1 82140806 NOYJAGRMGDWNMM-FCGDIQPGSA-N 424.564 4.883 0 1 HJAF c1nc(OC2CCN(Cc3cscn3)CC2)c2ccn(CC3CCCCC3)c2n1 84604327 SKFBSKBDZMNPBX-UHFFFAOYSA-N 411.575 4.512 0 1 HJAF COc1ccc2c(c1CCCCO)CCC[C@H]2c1cc(OC)c(OC)c(OC)c1 84619860 ROENKMIGCHUOEF-KRWDZBQOSA-N 400.515 4.504 0 1 HJAF COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(O)CCCC2=N3)cc1OC 102656265 FGDAFRKUUBRGOP-OAQYLSRUSA-N 402.454 4.634 0 1 HJAF CC(C)CCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713942 WAICHBXZTLQXKX-WNVKFLJJSA-N 402.623 4.723 0 1 HJAF Cc1c(Cc2ccccc2-c2cccc3ccccc23)c2c(n1CC(=O)O)CCNC2=O 205439674 GTEATHPHHSHMEH-UHFFFAOYSA-N 424.500 4.578 0 1 HJAF Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1 205589129 NPXNZBRXWZAORW-UHFFFAOYSA-N 413.452 4.743 0 1 HJAF 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CCC[C@]1([C@@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346063 ASVJWKSPBOUYKF-JXHRLWIKSA-N 400.446 4.628 0 1 HJAF C[C@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349707 JENGUCUNYHYKNV-UKILVPOCSA-N 420.436 4.782 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CCCCN1C(=O)c3ccccc3C1=O)CC2=O 587481039 XMJXHPDLBWMSKC-VWLOTQADSA-N 421.493 4.535 0 1 HJAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-n2cccn2)c1 587578866 BMFDZCZESYLUNP-RDGATRHJSA-N 412.445 4.898 0 1 HJAF CCc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579476 NUMTXEIBLBDTKA-DHLKQENFSA-N 417.461 4.704 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O 587691998 JGZNRPYZQGZROV-QPFGOUBPSA-N 400.675 4.579 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COCC(F)(F)F)o2)N1 587712379 PFIPRGVCPCIGQG-FVMDXXJSSA-N 422.216 4.884 0 1 HJAF O=C(Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1)c1ccncc1 653753142 FDAYZHDVQHDQGW-UHFFFAOYSA-N 418.407 4.889 0 1 HJAF CC(C)(C)c1ccc([C@@]2(C3CC3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232555 OMFUEJFBVAICHU-BVAGGSTKSA-N 400.522 4.785 0 1 HJAF Cc1c(C(=O)O)sc2nc(CCc3ccccc3)nc(NCCc3cccnc3)c12 1772641789 XQOYFYDVMBNAKE-UHFFFAOYSA-N 418.522 4.533 0 1 HJAF CC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@H]12 2356674463 JGIOAWQQJOEUOP-SZWQLUMGSA-N 416.514 4.955 0 1 HJAF COc1ccc(C(=O)c2sc(Nc3cc(Cl)ccc3C)nc2N)cc1OC 8600145 GKMAGTBSRFVHJN-UHFFFAOYSA-N 403.891 4.679 0 1 HJAF Cc1ccccc1Cn1c(C)c(CNCCc2c[nH]c3ccccc23)c(C(=O)O)c1C 8932373 IMTZHWXQKMDTJN-UHFFFAOYSA-N 415.537 4.973 0 1 HJAF CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)c2ccccc2Cl)C1 13442688 OYEZOXGYYYNUGG-UHFFFAOYSA-N 418.946 4.522 0 1 HJAF COc1cc(OC)c([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 27719017 WCERJEZPIONOJU-NHCASCSRSA-N 416.514 4.891 0 1 HJAF biogenic,in-vitro COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CCN1CCN(c2ccccc2C)CC1 27900122 HCWDYJODXWYYEI-HSZRJFAPSA-N 424.585 4.573 0 1 HJAF CCOC(=O)c1ccc2oc(N[C@@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 28019029 BXRWHICKONUQMI-IBGZPJMESA-N 405.429 4.935 0 1 HJAF Cc1ccccc1O[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28130970 AGLOLGURRWOWKK-HSZRJFAPSA-N 407.558 4.769 0 1 HJAF CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CCc2ccccc2)C1 28252073 YCWXYUACPTXUEC-PXDATVDWSA-N 413.565 4.519 0 1 HJAF Cc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1C 28958302 SNJJMYGYWOSPNT-UHFFFAOYSA-N 423.534 4.658 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)C=C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C 36402117 QGHZNFCWCVJEOX-SDIKMXJASA-N 420.590 4.525 0 1 HJAF C=C1SN(C)c2ccc(S(=O)(=O)Nc3ccccc3N3CCCCC3)cc21 62260353 CUFAPPAMEQXCPX-UHFFFAOYSA-N 401.557 4.546 0 1 HJAF O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccncc1 64512292 IRVZTUCRPZCREY-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF Cn1c(-c2ccc(C(=O)O)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 71318854 CXEOROMWHNWONF-UHFFFAOYSA-N 402.281 4.957 0 1 HJAF CN(Cc1cn([C@H]2CCCC[C@@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1 73197299 OOKVRGNCLFDODQ-ZEQRLZLVSA-N 424.589 4.560 0 1 HJAF CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3)ncnc21 82178256 DOZOOTCWPUPTCV-INIZCTEOSA-N 417.513 4.866 0 1 HJAF Fc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1 82185696 FXVWAFKKNHLLND-LJQANCHMSA-N 409.509 4.804 0 1 HJAF COCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84741717 BOHWSDIKQDNBDG-ZGVHTVKOSA-N 422.650 4.545 0 1 HJAF COc1cc(CCC(=O)CC(=O)[C@H]2C=Cc3nc[c-]4c3[C@@H]2C[C@H](C)CCC4)ccc1O 85627166 SVPWYVLLGWWAJF-TYCQWZJGSA-N 420.529 4.765 0 1 HJAF biogenic,in-vitro NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1 103246750 BATSWGXPUVZTJQ-UHFFFAOYSA-N 401.167 4.993 0 1 HJAF CC1(C)c2cc(OC[C@@H](O)CN3CCCCC3)ccc2C(=O)c2c1oc1ccccc21 114802788 SQCIDIPXKNYBJH-KRWDZBQOSA-N 419.521 4.529 0 1 HJAF CC(C)(C)[C@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1nccs1 149229842 KIYWEZTWWYNULU-OAHLLOKOSA-N 413.465 4.874 0 1 HJAF O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccc(O)cc2s1 149444625 LFLCPJKSGMGJCU-IBGZPJMESA-N 417.490 4.502 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCCCC4)c3)C2)cc1 169709770 BQMVYCFIRIKJHE-MHECFPHRSA-N 423.557 4.648 0 1 HJAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586908512 RNMQWDRQQLCUPF-QMMMGPOBSA-N 413.193 4.925 0 1 HJAF CC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2c1 586931142 MJJSHBRAORGIFZ-UHFFFAOYSA-N 419.506 4.566 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)nc3[nH]2)c(C)c1 586966524 PLHCQLSOCKEWCG-UHFFFAOYSA-N 414.332 4.815 0 1 HJAF COc1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)ccc1Br 586976418 JSUTYYHNGYYUGK-HYXAFXHYSA-N 409.081 4.662 0 1 HJAF Cc1onc(-c2nc3c(Br)cncc3[nH]2)c1COc1ccc(Cl)cc1 587075276 FMOSKFZHXDWSFG-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF C[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc(Cl)cn1 587080314 UATWJFLCSYQCTC-ZCFIWIBFSA-N 404.493 4.547 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc3c1OCO3)CC2=O 587459412 WPEPHFAUORTCNB-MRXNPFEDSA-N 405.244 4.542 0 1 HJAF Cn1ccnc1SC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532864 PLLFZSQQBZCAHM-DEOSSOPVSA-N 420.534 4.658 0 1 HJAF Cc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587574615 XYYREWSSHKILGN-BJCIKUEASA-N 401.462 4.633 0 1 HJAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580490 IIIJLIWQGPFMFV-WIOPSUGQSA-N 412.445 4.898 0 1 HJAF C[C@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617521 JYEYRLIHKAUNOK-XMSQKQJNSA-N 405.431 4.585 0 1 HJAF Cc1ccccc1-n1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757195 GFNQZVCYLUNWPI-RNODOKPDSA-N 400.295 4.706 0 1 HJAF Cc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587772686 GBJNWRNXXLINJE-RNODOKPDSA-N 412.306 4.977 0 1 HJAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587776393 XGWXXXJSCZXTOX-NSPYISDASA-N 401.279 4.769 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2n[nH]c3ccccc23)N1 587789863 BTDMPGWWXWARNT-FKIZINRSSA-N 402.311 4.847 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797851 XTZVCFXMFBHMDL-SZNDQCEHSA-N 422.338 4.765 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587830417 SXGTVQIHUHDTGP-OVWNDWIMSA-N 404.235 4.877 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1Cl 587870584 DMMYOSSYPPRERK-LBPRGKRZSA-N 406.816 4.988 0 1 HJAF COc1ccc(-c2cccc([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)n2)cc1 962627261 LDRKCVXNFVJWBM-IVCQMTBJSA-N 404.510 4.740 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1cccc(F)c1)c1ccccc1F 963046517 JZQAZKJZMNIPFB-VWLOTQADSA-N 402.444 4.959 0 1 HJAF COc1ccccc1OCc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)o1 963630101 BMTRBCFIVDKCBG-MYYSRTQBSA-N 409.482 4.508 0 1 HJAF COC(=O)c1ccc(Sc2ccccc2-c2cn(-c3ccccc3OC)nn2)cc1 1857621209 IZAHYMXGZZTUSK-UHFFFAOYSA-N 417.490 4.881 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC(C)C)[C@]2(C)[C@H]1C(=O)O 2356387404 RVUAPZKQDQMXCM-JTSFRIODSA-N 418.530 4.853 0 1 HJAF C[C@@H]1C[C@H](O)[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356588590 ATEWGTOGFJMCPH-QEQWOUAJSA-N 415.662 4.706 0 1 HJAF CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 13442540 NNXJLESXFQQNSX-UHFFFAOYSA-N 419.529 4.911 0 1 HJAF O=C(CCCCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CC[C@@H](O)C1=O 14489987 UGIHBCFYCAUJDN-HXUWFJFHSA-N 416.514 4.574 0 1 HJAF biogenic CC(C)(Oc1ccccc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242254 PTUXZXRJIRNUSY-HTCMAAAFSA-N 411.498 4.781 0 1 HJAF COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccc(Cl)cc2)S3)c1 73294541 HMBOWGKGBVLHOY-HNNXBMFYSA-N 423.723 4.718 0 1 HJAF COc1cc2nc(NCC3CCCCC3)nc(NCCCOC(C)C)c2cc1OC 82137428 MSCZFXOBQIAXIK-UHFFFAOYSA-N 416.566 4.866 0 1 HJAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)N2CCC(C)CC2)c1 82146788 BJGYZPBMXTURID-UHFFFAOYSA-N 400.526 4.936 0 1 HJAF CCCCc1ccc(-c2csc(N[C@@H](CC(C)C)C(=O)NCCOC)n2)cc1 82192640 ZTBOAQWAJIBPQJ-IBGZPJMESA-N 403.592 4.742 0 1 HJAF O=c1c2cn[nH]c2c2cc(Cl)c(-c3cccnc3Cl)cc2n1CC(F)(F)F 205063445 GELCJBPLUIUKIY-UHFFFAOYSA-N 413.186 4.809 0 1 HJAF Cc1nc(NC[C@@H]2CCCN(C(=O)C3(C)CC3)C2)cc(-c2ccc3ncsc3c2)n1 205827667 KLVDTKXERXLJFE-INIZCTEOSA-N 421.570 4.512 0 1 HJAF COc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC 219546787 KSEPWCUCBVMLMT-UHFFFAOYSA-N 419.525 4.917 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4cc(C)nc(C)c4[nH]3)cc2cc1Br 586999923 KOHUKTLLLKROBT-UHFFFAOYSA-N 414.259 4.509 0 1 HJAF COC(=O)c1cc2nc(Cc3cc(N)ccc3F)[nH]c2c(F)c1Nc1ccccc1 587141436 RZSBXCRABWXDPM-UHFFFAOYSA-N 408.408 4.544 0 1 HJAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587245756 ZHLGEKHZFZSWCT-UHFFFAOYSA-N 418.350 4.860 0 1 HJAF CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587408530 HGDVCQIJRPDCQI-QFIPXVFZSA-N 407.576 4.792 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc3c1OCC3)CC2=O 587457766 MMPHZEIQOACTFF-SFHVURJKSA-N 403.272 4.749 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3Br)CC2=O 587457932 DOVFOQKEOQKLCE-OAQYLSRUSA-N 417.299 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1ccccc1Cl)CC2=O 587461021 IUAOPMRKOSBAJV-QHCPKHFHSA-N 416.901 4.898 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCCCC3)nc1OC)CC2=O 587493033 FOTPBRVDXZLOLB-KRWDZBQOSA-N 402.516 4.507 0 1 HJAF COc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521066 ADRGKDGMNKXGTH-VWLOTQADSA-N 424.493 4.698 0 1 HJAF COc1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587555668 HIPXXZRTIXDPFM-LAUBAEHRSA-N 400.789 4.896 0 1 HJAF Cc1cc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1C 587609538 NHOYBHOMLLZEFA-OFVILXPXSA-N 414.413 4.818 0 1 HJAF Cn1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 587613804 QJRFMWCKTGNAHC-SIKLNZKXSA-N 404.447 4.557 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)nc2sccn12 587620073 WUIDQHHHRTUIPR-KKSFZXQISA-N 404.447 4.682 0 1 HJAF CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649997 UIHYUBNGTVQONL-UHFFFAOYSA-N 412.294 4.722 0 1 HJAF COc1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 587663319 ZVVYAKXONBEKCM-UHFFFAOYSA-N 403.438 4.810 0 1 HJAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1 587761825 WQSBSOLABRLIKS-LRTDBIEQSA-N 414.322 4.921 0 1 HJAF Cc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12 587779459 SLVSACXBGLIJAI-JEOXALJRSA-N 401.279 4.774 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587836378 TZVWRIMCKGWYFB-MPBGBICISA-N 406.295 4.547 0 1 HJAF Cc1csc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12 587857484 QQRKOVOQMKGENZ-CPFSXVBKSA-N 414.731 4.883 0 1 HJAF COc1ccccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587930053 CGDQQZPUKWSDHY-UHFFFAOYSA-N 423.476 4.965 0 1 HJAF CC(C)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962646732 XBXCIIZZTNVBDT-ZJBJCVSYSA-N 419.443 4.646 0 1 HJAF CCOc1cc(F)c(F)c(F)c1[C@@H]1c2cccc(Br)c2CCN1C 963289217 JUMIZQZZLYFUTO-SFHVURJKSA-N 400.238 4.842 0 1 HJAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCNC1CCCCC1 1772580395 DJBJXQLSQBXIDR-UYRXBGFRSA-N 424.520 4.514 0 1 HJAF COc1cc(N(Cc2ccc(Cl)cc2)CC2CC2)ccc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772585029 PWUXCBGKWGLWDX-WOJBJXKFSA-N 413.901 4.669 0 1 HJAF O=C(O)c1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cc1 1772606984 SIYKZRZVXFQNFN-UHFFFAOYSA-N 416.456 4.777 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCSCC1 1772639256 VKYAWNHEASWPLQ-UHFFFAOYSA-N 419.428 4.630 0 1 HJAF CCC(=CCOc1ccc2ccc(=O)oc2c1OC)C[C@H](C=C(C)C)OC(C)=O 2356848770 PIKPIVWDZFPFGO-IBGZPJMESA-N 400.471 4.805 0 1 HJAF COc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3cccs3)n2)cc1 929139 BNAVMGZIYZWXNK-MRXNPFEDSA-N 400.525 4.706 0 3 HJAF O=S(=O)(c1ccc(Cl)cc1)n1c(SCc2cccnc2)nc2ccccc21 3014512 KGHWMHCTAJSWFU-UHFFFAOYSA-N 415.927 4.614 0 1 HJAF O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3cc(F)ccc32)CC1 13488312 CLGQIPWZJWVAIN-UHFFFAOYSA-N 405.517 4.506 0 1 HJAF O[C@H](CCN1CCN(c2ccnc3ccccc23)CC1)c1csc2ccccc12 13491129 PBPHATQMCCALEO-HSZRJFAPSA-N 403.551 4.695 0 1 HJAF CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C 29481236 URWHLKOGTDACHK-GOTSBHOMSA-N 403.546 4.668 0 1 HJAF CC(C)c1cc(CCCCCC[C@@](O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O 34849751 ZOPMWEGZPWNLQX-HXUWFJFHSA-N 403.485 4.911 0 1 HJAF Cc1nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c(=O)n([C@H](C)C2CC2)n1 49034690 IINJXRVEBGFSMP-SSDOTTSWSA-N 405.232 4.570 0 1 HJAF 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HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F 64416850 HKLWSBIHHHYTLH-HXUWFJFHSA-N 410.411 4.914 0 1 HJAF COc1ccc2ccccc2c1S(=O)(=O)Nc1ccc2[nH]c3ccncc3c2c1 64548702 OUISZMQVQZVXEQ-UHFFFAOYSA-N 403.463 4.679 0 1 HJAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccc(F)c(Cl)c2)CO3)c1C 73166878 VJBBXHWAQIXLNO-OAHLLOKOSA-N 407.873 4.655 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1 82151051 JNCWSOQMXQQQJM-UTKZUKDTSA-N 410.537 4.828 0 1 HJAF Cc1csc(-c2nc(CNC(=O)OC(C)C)[nH]c2-c2ccc3ncsc3c2)n1 95558942 RLWOKJRLSKZRMT-UHFFFAOYSA-N 413.528 4.753 0 1 HJAF COc1ccc(CSc2nc(O)c(C(C)C)c(C(=O)c3cccc(F)c3)n2)cc1 96939935 NRYKUUUTSXXIGZ-UHFFFAOYSA-N 412.486 4.977 0 1 HJAF CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnccn1 141317488 IUODSFYCWWRDIY-UHFFFAOYSA-N 424.504 4.734 0 1 HJAF Cc1ccc(-c2nccnc2O[C@H]2C[C@H](Nc3nc4cc(F)ccc4s3)C2)cn1 146887061 BDDUQACWPJJVTL-IYBDPMFKSA-N 407.474 4.618 0 1 HJAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(-c3c[nH]c(=O)c4ccccc34)cc1)C2 167665011 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CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(F)cc3F)nc2c1 587150795 UDDCVMHMLQCRFM-GQCTYLIASA-N 407.214 4.951 0 1 HJAF Cc1c(Br)cnc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587226601 RULCSOGLOPIDGU-CQSZACIVSA-N 409.328 4.785 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239728 NWTWFCIDSRSUHP-LSWYUMSHSA-N 423.916 4.910 0 1 HJAF COc1cc(C)cc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356157 IUQXGNFDEDRUTP-WIOPSUGQSA-N 420.436 4.885 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)[nH]c3cccc(Br)c13)O2 587373913 VUQFZXZVDOLOFH-MRXNPFEDSA-N 414.303 4.594 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cc(C(=O)O)ccc3F)c1)O2 587381345 HLPYJGVDGDQDMQ-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587420507 IJUNPGVULSBJHP-YADARESESA-N 420.848 4.738 0 1 HJAF O=C1C[C@H](c2c(Cl)ncnc2NCc2ccccc2)Oc2c1ccc1c2CCCC1 587500496 PIHGGDNEYOFJLI-HXUWFJFHSA-N 419.912 5.327 0 1 HJAF O=C(O)c1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 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CC(=O)Oc1cc(/C=C/c2ccccc2I)nc2ccccc12 1857575573 AKCHCMGHJJUSSF-ZHACJKMWSA-N 415.230 4.935 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@@H]1Cc1nc2cnccc2[nH]1 2356367128 WVDMINBHILGTIO-SBHAEUEKSA-N 420.532 4.924 0 1 HJAF CCc1ccc(CN(C)C(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)nc1 11938508 QWOHJKPFGPBIQV-UHFFFAOYSA-N 413.905 4.753 0 3 HJAF CC(C)CN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ccc3ccccc3n2)CC1 61897711 RCZPIQLZVOOTMG-VWLOTQADSA-N 419.544 4.948 0 3 HJAF COc1ccc([C@H](O)c2nc(-c3cccc(OCc4ccccc4)c3)c[nH]2)cc1F 61927033 HTLVDRGAAIYUHW-QHCPKHFHSA-N 404.441 4.885 0 3 HJAF O=C(NCc1ccccc1)c1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)on1 61930523 KVMSTIITFOZTST-HXUWFJFHSA-N 423.900 4.625 0 3 HJAF O=C(c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1 5071124 SEEDTMXQCUPPRB-UNMCSNQZSA-N 412.574 4.608 0 1 HJAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@@H](C(C)=O)C(=O)OCC)O1 7992320 DKKHEPSSWBSDPM-YADHBBJMSA-N 404.503 4.855 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccc(F)cn4)c3c2)cc1 28957612 QFJZACGIDPBUBD-UHFFFAOYSA-N 408.458 4.551 0 1 HJAF COc1nc2ccc(Br)cc2cc1[C@H](N[C@@H]1CCCO1)c1ccccc1 40395041 ZUWJOZQFGAIPRI-VQTJNVASSA-N 413.315 4.821 0 1 HJAF CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(C)on4)ccc3C)ccnc12 40429744 LPQCAWXRGIIHLW-UHFFFAOYSA-N 416.437 4.843 0 1 HJAF CCn1c2ccccc2c2cc(C(=O)O)nc(-c3cc(OC)c(OC)c(OC)c3)c21 42889567 IDSXIHLLYZAHEN-UHFFFAOYSA-N 406.438 4.600 0 1 HJAF Cc1sc(CNCCCNc2cc(=O)c3ccccc3[nH]2)c(C(F)(F)F)c1C 45227171 YLIFOCDLKLQSCB-UHFFFAOYSA-N 409.477 4.817 0 1 HJAF CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNCC(F)(F)F)cc3)[nH]n2)c1 66065870 XNUGQQDGTQJPAK-UHFFFAOYSA-N 416.447 4.534 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccccc3F)n2)o1 82151946 IJBOWMCBZHSZGH-UHFFFAOYSA-N 408.477 4.668 0 1 HJAF O=C(Nc1cccc(-c2ccncc2)c1)[C@H](Cc1ccccc1)NCc1cscn1 84672085 FPOTYKVBBGYCQW-QHCPKHFHSA-N 414.534 4.545 0 1 HJAF CC(C)(O)/C=C/C[C@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 138070337 XPGMCKYYWPUVAF-QIJBTUPQSA-N 424.493 4.500 0 1 HJAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1OC 167056705 JNUGXEIHUIMSFL-UHFFFAOYSA-N 417.465 4.504 0 1 HJAF CCCCCC[C@H](C[C@@H]1OCO[C@@H]1CCCCCCCC(=O)OC)OC(C)=O 169306947 YCBXTQVGRHXKBE-NJYVYQBISA-N 400.556 4.924 0 1 HJAF COc1cc(N[C@H](C)CCCNC(=O)/C=C/c2ccc(F)cc2)c2ncccc2c1 169327376 XNRVKWBQYRFTEK-XLNAKTSKSA-N 407.489 4.793 0 1 HJAF COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3)cc1 215346648 MCCFSBNEXWGZFW-QHCPKHFHSA-N 420.461 4.694 0 1 HJAF COc1ccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(=O)oc2c1 586993515 ITHQTPMQXBNUQM-UHFFFAOYSA-N 421.408 4.934 0 1 HJAF Cc1ccc2c3c(c4c(nc13)C[C@@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586994898 BIUKLIKQYCCHKV-AWEZNQCLSA-N 400.478 4.747 0 1 HJAF Nc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1N 586999148 WVBAKPSNVDFCBU-UHFFFAOYSA-N 409.287 4.736 0 1 HJAF COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl 587004236 RWQYXZGFKQAODF-VIFPVBQESA-N 421.678 4.623 0 1 HJAF O=C(COc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccccc1F 587154008 IVDIPVYLCMELDM-UHFFFAOYSA-N 415.346 4.804 0 1 HJAF CCOC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183885 KQLFGXDITGASPE-TWGQIWQCSA-N 418.234 4.515 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@H]1c1ccc(F)cc1 587356173 ZCSSEVRKKPPABU-STZYWJCTSA-N 422.452 4.540 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)[C@@H](C2)C3=O 587422008 MZGORXPODNJIHH-BTDLBPIBSA-N 419.321 4.734 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccs2)nc1 587614788 UKZXVZXMKWWPKZ-GHTZIAJQSA-N 402.431 4.614 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)o2)N1 587680240 IAYBRYCWNQYKGC-ANRSDYALSA-N 403.089 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1 587772002 UXEWNQTWLQPOCR-BIBXISHDSA-N 407.327 4.784 0 1 HJAF COc1cc(/C=C/[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587807806 NPFFOADXKCADET-FVFSBHJXSA-N 406.295 4.765 0 1 HJAF COc1cc(/C=C/[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810896 YHRIZMRGGQBWMH-WGOCBILJSA-N 406.295 4.765 0 1 HJAF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)CO)N2c2ccc(O)cc2)cc1 653798417 OWQHPMJECIZGDO-RUZDIDTESA-N 419.452 4.551 0 1 HJAF COc1ccc2c(c1)c([C@H]1NCCc3c1c(C(C)C)nn3C)cn2C(=O)OC(C)(C)C 962915387 HRSKVDXADBMTJB-JOCHJYFZSA-N 424.545 4.525 0 1 HJAF Cc1cc([C@]2(C(F)(F)F)NCCc3c2c(C(C)C)nn3C)ccc1C(F)(F)F 962917230 LSHGOHZZNOJDHZ-KRWDZBQOSA-N 405.386 4.822 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccnc1N1CCC(C(=O)OCC)CC1 963223884 DLUJEUHUOVIIOO-CYFREDJKSA-N 421.585 4.607 0 1 HJAF Cc1cc(=O)oc2cc(NC(=O)CCCc3ccc(NC(=O)C(C)C)cc3)ccc12 1772600839 KDJOGBYQEKZKJE-UHFFFAOYSA-N 406.482 4.657 0 1 HJAF Clc1ccc2nc(-c3ccc(N4C[C@@H]5C[C@H]4CN5Cc4ccccc4)nc3)[nH]c2c1 1772658116 SVASCARJFCJRBJ-PMACEKPBSA-N 415.928 4.741 0 1 HJAF COc1ccc(OC)c(-n2cc(-c3ccccc3Sc3ccc(N)cc3)nn2)c1 1857588756 DQBIRVAIBRHRJV-UHFFFAOYSA-N 404.495 4.685 0 1 HJAF CCOC(=O)CCCn1cc(CN2CCCCC2)c2cc(Br)ccc21 1857615788 CNGAYQLORBGMNE-UHFFFAOYSA-N 407.352 4.733 0 1 HJAF CNC(=O)c1ccc(Sc2ccc(NC(=S)Nc3cccc(C)c3)cc2)nc1 1857642058 MCYIOJVIZPEBGT-UHFFFAOYSA-N 408.552 4.710 0 1 HJAF CC(=CC=C[C@H](C)CCC(=O)C(C)C)CCOc1c(O)cc2c(c1O)COC2=O 2356327591 DRLCUJAKSJDGST-HNNXBMFYSA-N 402.487 4.681 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2CCC(C)=C[C@@H](OC(C)=O)C1 2356652693 MIRFWTNVMCVZIZ-QPXUXIHVSA-N 406.563 4.731 0 1 HJAF CC1(c2cc(F)c(NC(=O)[C@]3(F)CNc4ccccc4O3)cc2O)CCCCC1 2356704849 KKVFGLWQSNBCMK-QFIPXVFZSA-N 402.441 4.862 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)NC)[C@H](O)C[C@@]2(C)[C@]4(C)CC[C@H]3C1(C)C 2356779489 SYZLFHXVKSPQIU-YTAXOWKFSA-N 416.694 4.982 0 1 HJAF C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61904354 RFKDDCKERGKZCF-DEOSSOPVSA-N 422.956 4.880 0 3 HJAF Cc1cc(C)c(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(C)cc32)c(C)c1 6878050 VIMYXMHKVBEQGE-UHFFFAOYSA-N 401.466 4.706 0 1 HJAF COc1ccc(OC)c([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)c1 14641839 CRCIWFNYOYMWLQ-GKHNXXNSSA-N 402.487 4.814 0 1 HJAF biogenic CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)[C@@H](C)C2CCCCC2)cc1 26266076 AHAIBSBRJNQTPQ-SFHVURJKSA-N 419.591 4.748 0 1 HJAF CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1cc(Cl)sc1Cl 26275614 NBSIVEOKVWLFLA-UHFFFAOYSA-N 410.392 4.650 0 1 HJAF c1ccc(COc2ccc(-n3nc(-c4ccccc4)n[n+]3-c3ccccc3)cc2)cc1 29131184 JNQJPMIAPJOXIR-UHFFFAOYSA-N 405.481 4.790 0 1 HJAF Cc1nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c(=O)n([C@@H](C)C2CC2)n1 49054423 JFDWKSPMJVWWFP-ZETCQYMHSA-N 423.222 4.867 0 1 HJAF Cc1cc(N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)c2ccccc2n1 72182321 HGNLGHBIMHCJAO-UHFFFAOYSA-N 402.473 4.660 0 1 HJAF Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2F)o1 82175605 HSKAXEDURIIUSR-UHFFFAOYSA-N 404.401 4.587 0 1 HJAF O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1nnc(Nc2ccccc2F)o1 84705234 MCQIPFQCTLYUJA-UHFFFAOYSA-N 424.432 4.563 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104008125 NCWYBWLPYASBKA-LAUBAEHRSA-N 411.498 4.559 0 1 HJAF c1ccc(C[C@H]2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)cc1 140192224 ZDOXLOYCWSESFI-OAQYLSRUSA-N 421.548 4.698 0 1 HJAF Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)ns1 147024052 LCDJTYADKMHBDH-UHFFFAOYSA-N 415.540 4.833 0 1 HJAF CC1CCN(CCCOc2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CC3)CC1 169308766 JSTWQXORTRKSOW-UHFFFAOYSA-N 410.533 4.806 0 1 HJAF O=C(Nc1ccccc1)[C@@H]1CC[C@@]23CCN(CC4CC4)C[C@@]2(Cc2ccc(O)cc23)C1 169727644 YLMCBOPBZSKALW-ZFWHIUCFSA-N 416.565 4.727 0 1 HJAF CN(C)C(=N)c1nc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2s1 207586399 XKASROSOOPMPEL-UHFFFAOYSA-N 400.870 4.663 0 1 HJAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(-c3ccc4ccccc4c3)ccc1-2 209711026 QEOHXEJPDHZTJV-HSZRJFAPSA-N 424.500 4.844 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299884252 SSSPUMHMRBAFST-MJUUVYJYSA-N 424.944 4.913 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899499 YXMSKIJXQGLQQY-UHFFFAOYSA-N 421.522 4.681 0 1 HJAF CSc1sc(-c2nc3cc(Cl)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919582 BUZNOLYVRONXNU-UHFFFAOYSA-N 422.384 4.897 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4ccc(C(F)(F)F)cc4[nH]3)n2C)cc1 586965356 OBTJYUNCMDGZLW-UHFFFAOYSA-N 403.433 4.978 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586984097 HESRFCUTPAVPED-IBGZPJMESA-N 412.331 4.624 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CN(Cc2ccccc2)C[C@H]1C3 586988920 ZTISSDBOSAQXGE-UTKZUKDTSA-N 418.496 4.924 0 1 HJAF CS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587048605 CWOOQJXCDXTGNN-UHFFFAOYSA-N 410.882 4.766 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439627 VOTFSWLBFKHYMN-READRUSDSA-N 415.530 4.771 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@H](c1ccccc1)CC4)[C@@H](C2)C3=O 587451084 HUSQCTPNVHVVRK-UYFSRDTQSA-N 403.503 4.913 0 1 HJAF Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587551805 JXKPUKAYYGDGNF-AUSIDOKSSA-N 420.852 4.809 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587723603 XQJKGIRXGPCBBL-YYSFKGJASA-N 422.248 4.880 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587755066 OCRRYDQGRCUDFM-YXKWSERDSA-N 423.326 4.685 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1 587763289 JAUMOKUSJIBKHL-MPBGBICISA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587765449 CJZJQLVMHQGUJN-GOPGUHFVSA-N 413.331 4.563 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](c3ncccc3O)C2)N1 587772814 OWWNPEMMWPNPKF-VFGMZZLHSA-N 405.311 4.776 0 1 HJAF Cc1nc2ccncc2cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587778645 NVBAGMWCBSUBSH-BIBXISHDSA-N 400.295 4.638 0 1 HJAF COCc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587804428 ZNJRACLDXPHYTM-FKIZINRSSA-N 408.311 4.541 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(CCCC1OCC(C)(C)CO1)c1cc(F)cc(F)c1 963078171 XQIMFUILZODCAF-DEOSSOPVSA-N 416.512 4.627 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 963227522 JLCXVUIUHIOLQE-NTKDMRAZSA-N 408.567 4.780 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(Cl)cn1 963903970 MEVNIXQABYCGMD-UZLBHIALSA-N 416.905 4.769 0 1 HJAF COc1ccc(Nc2ncnc3c2[C@@H](c2ccccc2OC)c2c(n[nH]c2C)O3)cc1 1772582574 UKTODOQOZBAVLH-IBGZPJMESA-N 415.453 4.555 0 1 HJAF COc1ccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1 1857545154 IZSNKSLNXHIUPV-UHFFFAOYSA-N 403.438 4.508 0 1 HJAF COc1ccccc1CNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12 4239233 CYNCKEPMUMXTOI-UHFFFAOYSA-N 412.493 4.619 0 1 HJAF CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N(C)C 4295595 MEENKTGBICEVBC-QZTJIDSGSA-N 411.340 4.560 0 1 HJAF CCCC[C@@](O)(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010003 AJBFTKKXGPDMJF-RTWAWAEBSA-N 420.340 4.551 0 1 HJAF CC[C@H](C)c1ncc([C@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569379 QHPMUAOAKUZRQQ-QWRGUYRKSA-N 410.358 4.751 0 1 HJAF COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)C(C)C)n2)cc1 82067272 DKWMBJKUDQUMEM-HXUWFJFHSA-N 405.502 4.617 0 1 HJAF CCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82166487 BAVXPVYGASAQFV-UHFFFAOYSA-N 412.490 4.653 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2ccccc2)c1 167486843 IIZPCODOTFDRPI-UTKZUKDTSA-N 402.494 4.876 0 1 HJAF CCn1c(O)c2n(c1=O)[C@H](c1ccc(Cl)cc1Cl)c1[nH]c3ccccc3c1C2 169724419 SDUQIRJPZKDQNS-LJQANCHMSA-N 414.292 4.705 0 1 HJAF CC1(C)[C@H]2CC=C3[C@H](CC[C@@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@]34C)[C@@]2(C)CC[C@H]1O 255214522 HBDJSKMXFZVHGN-DAEZQCRISA-N 411.586 4.535 0 1 HJAF COC(=O)c1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 299856990 DLDIQLKUMZHCHX-IBGZPJMESA-N 405.281 4.935 0 1 HJAF COc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587097252 HQSUPZOZASYQDM-UHFFFAOYSA-N 424.322 4.551 0 1 HJAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587182191 MRJXBANJZHJLHF-LLVKDONJSA-N 408.287 4.579 0 1 HJAF CC[C@H](c1nc2cc(Cl)cc(C)c2[nH]1)n1cc(I)c(C)n1 587185829 OXYZOTFJYOVYPF-CYBMUJFWSA-N 414.678 4.634 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1 587191028 KKFGREWKFKRJLL-HNNXBMFYSA-N 417.307 4.677 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587343070 RJRCDHXPWSCHNO-NOZRDPDXSA-N 414.436 4.682 0 1 HJAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350524 GVQKTAUADKVMDX-RDPSFJRHSA-N 422.408 4.722 0 1 HJAF CC(=O)Oc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600596 OMVBCJSDHPHYRT-URXFXBBRSA-N 404.418 4.637 0 1 HJAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587696212 DMFKITUVNPNSLQ-WYRIXSBYSA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCCCC2)N1 587769170 XOLBSZYPDFBGSY-ORAYPTAESA-N 404.327 4.597 0 1 HJAF COC(=O)Cc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587783383 QGDUYHOYRBPQMR-UHFFFAOYSA-N 413.193 4.727 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccc(OCc3cccnc3)cc1)N(C)[C@H](C)C2 962636459 SHBPZULKQODCLS-OSPHWJPCSA-N 404.510 4.644 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@](c2cccnc2)(c2c[nH]c3ccccc23)N1)C(F)(F)F 962728680 FKPXQFWAQMXORT-JTHBVZDNSA-N 421.422 4.501 0 1 HJAF COc1cc(OCc2ccccc2)ccc1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962905337 DJRLSDJKJSZVOB-RUZDIDTESA-N 405.542 4.540 0 1 HJAF COc1ccc(-c2cc3c(cc2[C@@H]2NCCc4c(OC)ccc(Cl)c42)OCO3)cc1 963257152 IHUZKOMRSZHOTN-DEOSSOPVSA-N 423.896 4.988 0 1 HJAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(COC(=O)CCC(=O)O)CC[C@H]1C 2356496748 ZHDNTNMAWDHSRT-BHLLPTRUSA-N 406.563 4.892 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@@]12C 2356690510 AEHXVYOSNIAJOA-BSRHQECSSA-N 402.487 4.709 0 1 HJAF C[C@@H]([C@@H]1CCCCN1)[C@@H]1[C@H](O)C[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356833170 IFAGKOAMVIWQMA-VDFVHGFASA-N 401.635 4.531 0 1 HJAF CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 3638647 PZEPKOWFWRWICA-UHFFFAOYSA-N 402.947 4.755 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213242 LTGYIRYKKACOTF-GKVQRAMASA-N 409.574 4.920 0 1 HJAF CC[C@@H](COC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32 13672728 XRKLENBXCYDLAH-AWEZNQCLSA-N 405.329 4.959 0 1 HJAF CC(C)=CC(=O)O[C@@H]1C2=C[C@](O)(C(C)C)CC[C@@H]2[C@]2(C)CCCC(C)(C)[C@H]2[C@@H]1O 14411451 PHLOJVYZZDCBSH-DQOWPYMWSA-N 404.591 4.795 0 1 HJAF biogenic C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2ccc(C(C)(C)C)cc2[nH]1 28351585 TYXYMIGPNNOUKK-CQSZACIVSA-N 417.479 4.989 0 1 HJAF CCOC(=O)/C=C/c1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569372 CVHCHQHSHBNYLT-CMDGGOBGSA-N 423.309 4.539 0 1 HJAF Cc1cccc(C(=O)c2[nH]c(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)c1 45350225 GQYGYEWWEIPBJH-UHFFFAOYSA-N 411.461 4.695 0 1 HJAF COc1ccc(Br)c(-c2nnc3sc(-c4cc(C)cc(C)c4)nn23)c1 73297069 CYNGYJRJNPGDEH-UHFFFAOYSA-N 415.316 4.908 0 1 HJAF FC(F)(F)c1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1 100092442 FLYXIAZHJKZIFH-JKHIJQBDSA-N 409.455 4.707 0 1 HJAF CCc1cccc(Cn2nc(CC)c3c(NC(=O)c4cnc5ccccn45)cccc32)n1 117880586 YHBYPXGRBVLGCM-UHFFFAOYSA-N 424.508 4.504 0 1 HJAF Cc1cc(C)c(-c2[nH]c(C3CC3)nc2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 142700457 RCBXDUBIJYJWLH-UHFFFAOYSA-N 410.521 4.991 0 1 HJAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 169358723 VBSVTTLLONSJNC-VSKRKVRLSA-N 402.970 4.738 0 1 HJAF CC(=O)O[C@H]1C[C@H]2[C@H]3CC[C@H](C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CC[C@@H](OC(C)=O)C[C@@H]12 255193365 AGNUMQPIOAPNHN-GLBFKHSMSA-N 418.574 4.708 0 1 HJAF CC(C)(c1ccccc1)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)cc1 261175265 URMILYBKKDOLKJ-SKUGRUHMSA-N 412.537 4.933 0 1 HJAF O=C1O/C(=C/c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21 586906355 LKOKHYIFWGPUKN-VGOFMYFVSA-N 420.060 4.756 0 1 HJAF Clc1ncc(I)c2nc(CSCc3ccsc3)[nH]c12 587024583 BMWUQDUKLSDGRW-UHFFFAOYSA-N 421.716 4.711 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587035155 PATDTXQZLLFGEE-HNNXBMFYSA-N 418.522 4.934 0 1 HJAF CCCCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br 587119103 XPYAHLHAFXEGFH-UHFFFAOYSA-N 417.229 4.924 0 1 HJAF CCOC(=O)c1ccc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1 587131202 WQDOKQHYBAVVMP-POHAHGRESA-N 402.397 4.910 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587147327 MFVBMUVQZCURQT-UHFFFAOYSA-N 415.783 4.930 0 1 HJAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351692 KTFFPBXBGDEHTM-JWUDCITKSA-N 412.457 4.786 0 1 HJAF CCOC(=O)C(=O)[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362368 FWSUOMYETRRPGX-SFHVURJKSA-N 415.445 4.819 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1CCC(F)(F)F)[C@@H](C2)C3=O 587422176 SBTZPNFRZUZJPC-BTYIYWSLSA-N 422.399 4.696 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1csc(NC(=O)OC(C)(C)C)n1)CC2=O 587493310 DRBGIAALQJCHFD-INIZCTEOSA-N 404.488 4.855 0 1 HJAF COc1cc(OCCCC(=O)O)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520474 CKAPEWFGMPHOCC-QFIPXVFZSA-N 410.466 4.524 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC1CC1 587591184 GEEGAKYQEYCYEA-DHLKQENFSA-N 418.445 4.893 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594730 IDLANHKBXXRNRC-WIOPSUGQSA-N 418.445 4.511 0 1 HJAF CC1(C)OCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587614168 BPCXHRIFVBVGFA-OFVILXPXSA-N 418.445 4.914 0 1 HJAF Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587683757 XGHZTBWJJJZEBT-JDNHERCYSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1 587731031 GRFXZNSIJVULQR-YUNKPMOVSA-N 418.285 4.596 0 1 HJAF C[C@@H](CC(=O)O)[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587735210 XFEKAQQSSGWXIT-ZBUHCNDUSA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C[C@@H]2F)N1 587738613 PLVDORGTCAPGOK-OREJSRFESA-N 421.329 4.562 0 1 HJAF CCc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746512 ZZQXGAZQXSCXTL-LRTDBIEQSA-N 419.338 4.929 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN([C@H](C)c3ccccc3)C2)N1 587766785 HVYCIMMVZZUXQI-VTJXTGGHSA-N 403.339 4.785 0 1 HJAF Cc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc3ccccc23)CC1 653848294 JDUYXDCAFPRHMY-UHFFFAOYSA-N 417.553 4.839 0 1 HJAF CCC[C@]1(CCC(=O)OCC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641641 OOJXRBWKASIROP-OZXSUGGESA-N 406.570 4.772 0 1 HJAF CC(C)(C)[C@]1(CC2(O)CCCCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962675903 XCSGEWCITVSMKL-UIOOFZCWSA-N 424.585 4.660 0 1 HJAF Cc1ccc(OCc2ccccc2)c([C@@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963018568 DJHKETKDGDSQFQ-HRFSGMKKSA-N 412.533 4.891 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cnn(-c2cccc(C(F)(F)F)c2)c1 963052993 FUDMKJTWDCUYSJ-NRFANRHFSA-N 424.426 4.683 0 1 HJAF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc4ccccc4c3)C2)cc(OC)c1OC 1857539727 WCMOIGSGJATMMR-NRFANRHFSA-N 404.466 4.563 0 1 HJAF C[C@@H](Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1cc(F)ccc1Cl 1911570368 AHQGCHYMHIURGD-CYBMUJFWSA-N 416.884 4.811 0 1 HJAF CC(=O)OC(C)(C)[C@H]1CC[C@@]2(C)C=C[C@@H](C)CC=C[C@@](C)(OC(C)=O)C[C@@H](O)[C@H]12 2356692826 MAUKAMKPRJZLAR-YIISLQOMSA-N 406.563 4.586 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)[C@H]1c1c[nH]c2ccccc12 2469294 IIOGCOSWGVBHOG-XZOQPEGZSA-N 413.452 4.856 0 1 HJAF COc1ccc(C2=NN(C3C4CC5CC(C4)CC3C5)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC 13474151 CSNUCLKQPKBQNG-RZJPRNSBSA-N 420.553 4.657 0 1 HJAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3CCCO3)sc2c1 13533942 SMACRHCODVADBJ-OAHLLOKOSA-N 415.902 4.628 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 20507914 UDEQWQBOSLIMOF-YFXJRYMSSA-N 416.546 4.675 0 1 HJAF CCC[C@]1(CC)C(=O)N(C(=O)N[C@H](C)c2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26501200 BEWDQYDOWMNYSH-CFJRQAHESA-N 424.497 4.599 0 1 HJAF C[C@H](NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21)c1ccccc1 43746311 SMBBHPVLMHSHPM-VVHBXYOFSA-N 421.500 4.515 0 1 HJAF biogenic CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)N2C1=O 66112066 VMUZDXCLODOOOJ-PKOBYXMFSA-N 414.292 4.773 0 1 HJAF CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)OCC2 72113720 YBMGGKSGVALVNU-UHFFFAOYSA-N 400.910 4.902 0 1 HJAF Cc1ccc2nc(N3CCC(Oc4ncccc4C4CCOCC4)CC3)ccc2c1 96169024 SLAUCTQUKFSJEV-UHFFFAOYSA-N 403.526 4.880 0 1 HJAF O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccc(Cl)cc3Cl)cc2)S1 103275795 DPHBLBRFFHICSR-SXGWCWSVSA-N 410.278 4.775 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1N 142601640 GZRDMKKYBOTFAJ-UHFFFAOYSA-N 400.813 4.655 0 1 HJAF COc1cc(F)ccc1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166865520 LKLSQZHWKXKGKO-HOTGVXAUSA-N 417.786 4.814 0 1 HJAF C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12 169355385 ZNSKOGGQUHKREZ-JWFICZFYSA-N 402.560 4.525 0 1 HJAF Cc1ccc(-c2cc3c(N[C@H](c4ccccc4)P(=O)(O)O)ncnc3s2)cc1 209321886 KOCSFSGRWBPNAY-IBGZPJMESA-N 411.423 4.955 0 1 HJAF C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586962969 VSMCDRBBGFPJBK-ZETCQYMHSA-N 403.227 4.988 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(O)c3[nH]2)c1C=O 586968468 RVERIJRFRPMUSV-UHFFFAOYSA-N 412.902 4.580 0 1 HJAF CN(C)C(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587000164 GRMFCNKMEDOJLI-UHFFFAOYSA-N 424.298 4.759 0 1 HJAF CN1CCN(c2ccc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3c2)CC1 587015706 IMPFNQSSZFOMEB-UHFFFAOYSA-N 409.946 4.759 0 1 HJAF Clc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c(Cl)n1 587029796 UHQQVWPDMGRSEC-UHFFFAOYSA-N 401.282 4.786 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587112350 GCFPUBDEYVTOHL-JTQLQIEISA-N 419.632 4.635 0 1 HJAF N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587156402 NBVQOFWNSKSTRJ-QLJPJBMISA-N 414.200 4.825 0 1 HJAF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cncnc4[nH]3)c12 587168405 JKFCQDVXIFLZOH-UHFFFAOYSA-N 413.460 4.894 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2c(Br)cnc(Cl)c2[nH]1 587227954 DSYRDQOEZCAGTO-UHFFFAOYSA-N 409.715 4.736 0 1 HJAF O=C(/C=C\c1nc2cc(Br)c(Br)cc2[nH]1)Nc1ccccc1 587245566 ZOUKPSCNJHAQOB-SREVYHEPSA-N 421.092 4.740 0 1 HJAF O=C(c1ccc(Cl)c(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587276579 OEZZAHWERHBBAC-UHFFFAOYSA-N 401.043 4.620 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587342778 HGCPNURTIMFKEX-ZCYQVOJMSA-N 403.453 4.535 0 1 HJAF O=C(O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587353948 PRDPUAYBCOEEKM-MOADCYBESA-N 418.420 4.748 0 1 HJAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359981 TVMIWGZFAVHBPB-UKILVPOCSA-N 418.420 4.657 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)c(Br)c1)CC2=O 587457085 VQVAKZVXJDITPB-LJQANCHMSA-N 404.304 4.880 0 1 HJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc(Cl)c1 587498283 FARWNUHUFGFUDB-QHCPKHFHSA-N 407.901 4.989 0 1 HJAF CCN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587597390 UUCNLMRVUWULNM-RCZVLFRGSA-N 401.462 4.868 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncnc(Cl)c2s1 587618159 NJXBYOVLAARRBW-CRAIPNDOSA-N 410.838 4.753 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2F)N1 587725378 CWBGTHLZKPEHLI-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(N)cc32)N1 587746681 NXPOHHHIBWMIIH-PRWKNARSSA-N 405.311 4.509 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1 587765859 UQLIQPJASVTFFL-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(C2CC2)N1 587835352 VXQTWEORRAKXRC-RNODOKPDSA-N 412.343 4.661 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc3c(c2)OCCO3)N1 587836641 WWEWNPNYAPTQDW-SGTLLEGYSA-N 406.295 4.568 0 1 HJAF COc1ccccc1[C@]1(c2ccc(Br)cc2)NCCc2c(C)ccnc21 963070644 PKRAHDIHCRLJAB-QFIPXVFZSA-N 409.327 4.599 0 1 HJAF Fc1cc(I)cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963114618 VFMBJQBDHHKZOY-FUHWJXTLSA-N 411.233 4.679 0 1 HJAF CC(C)c1nnc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1 1857607640 WJCUSODECXFIDK-QGZVFWFLSA-N 410.428 4.522 0 1 HJAF CC1=CC[C@H]2CCC[C@@]3(CCC[C@@H]3[C@H](C)C=C[C@H](O)C=C(Cl)CCOC1=O)N2 2356342680 YETAKRZPZUKKMS-CKSGFJDPSA-N 407.982 4.627 0 1 HJAF COc1cc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)ccc1F 11957645 SNNVHLGQLVUTHH-UHFFFAOYSA-N 411.439 4.670 0 3 HJAF COc1cc(O)c([C@H](CCN2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c(OC)c1 13661601 OLFSXDXTVMVCID-XMSQKQJNSA-N 412.574 4.729 0 3 HJAF CO[P@@](=O)(CC(=O)OC(C)(C)C)[C@H](CC(C)C)NC(=O)OCc1ccccc1 166486227 KDTIWXOZGQXZID-UULLZXFKSA-N 413.451 4.551 0 3 HJAF Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H]3SC(=O)NC3=O)ccc2o1 1483003 MHEQHDTZHNPSSJ-FQEVSTJZSA-N 418.474 4.881 0 1 HJAF CSc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1 2456057 SRWOZUKJAFTBPQ-GOTSBHOMSA-N 414.530 4.884 0 1 HJAF COc1ccc(-c2csc(NC(=O)CCCCCCC(=O)c3ncco3)n2)cc1 3928681 BQUAPLIHVAVSDU-UHFFFAOYSA-N 413.499 4.969 0 1 HJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(OC)cc(OC)cc1OC 13742187 OKKXEJJBBILTPR-UHFFFAOYSA-N 410.470 4.996 0 1 HJAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCN(Cc2ccccc2)c2ccc(F)cc21 35933259 FCWIBYQHRCBDSA-NRFANRHFSA-N 415.472 4.975 0 1 HJAF Fc1ccccc1N1CCN(CCCCNc2ccc(-c3ccccc3)cn2)CC1 38215802 AUOXZICNYGBVPT-UHFFFAOYSA-N 404.533 4.902 0 1 HJAF C[C@H](CNCCN(C)C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45340332 JXDXVWAQRZGQJP-QSNVUPPFSA-N 402.667 4.714 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccnc4ccccc34)C[C@@H]1O2 84633922 JDHAHJSZFPOWTA-YLNUKYHNSA-N 416.521 4.867 0 1 HJAF COc1ccc(OCCCc2cccc(CCCOc3ccc(OC)cc3)[n+]2C)cc1 95582141 ZARKHSFEAGMUCN-UHFFFAOYSA-N 422.545 4.552 0 1 HJAF COc1ccc(-c2nnc(SCc3cccnc3)nc2-c2ccc(OC)cc2)cc1 96930037 IJOLFGWQOGUHEE-UHFFFAOYSA-N 416.506 4.910 0 1 HJAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)nc1C 113977273 LXHVNSRNPIAUDK-UHFFFAOYSA-N 403.438 4.655 0 1 HJAF CC(=O)OC(C)(C)[C@@H]1CC[C@]2(C)/C=C/[C@@H](C)C/C=C/[C@@](C)(OC(C)=O)C[C@H](O)[C@@H]12 238733465 MAUKAMKPRJZLAR-XJZYJHQHSA-N 406.563 4.586 0 1 HJAF CN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253636677 OKVPDEXTEJGPIM-HHNQPZQHSA-N 406.570 4.563 0 1 HJAF COc1ccc2c(c1)c(-c1nc3ccccc3n1C(=O)c1ccccc1OC)cn2C 473105554 SVIBZJNYMZCEMQ-UHFFFAOYSA-N 411.461 4.901 0 1 HJAF CCCCS(=O)(=O)N[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C 586932880 KLSGHOUCVHWNAT-FQEVSTJZSA-N 415.559 4.559 0 1 HJAF COc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031897 QDRARUVFADNYMV-XVBMGZJVSA-N 418.519 4.838 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587233341 MKMBBZXWPRLWSF-WCBMZHEXSA-N 415.719 4.535 0 1 HJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347211 TZIXDVIKDGVNJR-UPPNCUKMSA-N 409.501 4.913 0 1 HJAF C[C@@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370450 BJNFAHHDUTVQPL-OFNKIYASSA-N 420.465 4.998 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1c(N)sc3c1CC[C@@H](C)C3)O2 587413657 IGVGDQADEOAOMU-SPSFWMDKSA-N 408.523 4.848 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(Cl)cc1F)[C@@H](C2)C3=O 587424870 WRSHGOPGRUFROL-BBATYDOGSA-N 411.654 4.913 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2Cl)c1 587547187 LCOCCJIFBDSHQQ-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cnccn2)c1 587589344 UUIHNMKTNNWVTO-ZJSXRUAMSA-N 412.401 4.677 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cc(O)ccn2)c1 587589419 VOLMHCGKSCFWFF-RDGATRHJSA-N 411.413 4.863 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COCC(F)(F)F)o2)N1 587711482 KRLRJZWADJIKIQ-XXFAHNHDSA-N 422.216 4.884 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587743079 NTJPRVRJVBRBFW-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(Cc3ccccc3)c2)N1 587762049 CQFHJXMUQBKCPB-SZNDQCEHSA-N 414.322 4.631 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587793328 DJBYQEVTCFHCIO-AFBRZQFHSA-N 412.343 4.851 0 1 HJAF CCOP(=O)(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC 587849234 KPBCBYMAHKXVLS-BZNIZROVSA-N 408.248 4.604 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3nc(Cl)sc3C2)N1 587859133 VVJJFVKDPBTYQR-ZKANADHPSA-N 401.732 4.617 0 1 HJAF CC(=O)N[C@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1 1772593783 FXIMMOHKNCBHMQ-MRXNPFEDSA-N 422.481 4.826 0 1 HJAF Oc1cccc([C@]23CCC[C@H]([C@H]2O)N(CCc2ccc(C(F)(F)F)cc2)CC3)c1 1772602885 QOHPOLXHOBPUFO-YPAWHYETSA-N 405.460 4.511 0 1 HJAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2cc1C 2356302035 KKMAPTMKVOPAPC-YLJYHZDGSA-N 421.438 4.938 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 2356472178 NEFYKPBXUDOECH-BWKNWUBXSA-N 422.477 4.672 0 1 HJAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(-c3ccccc3)c(F)c1)C2 36388460 REWILNUVSLRXCL-PGRDOPGGSA-N 422.500 4.776 0 3 HJAF O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12)c1ccccc1 3962051 QPJKMKVTEJYYGG-UHFFFAOYSA-N 416.502 4.571 0 1 HJAF in-vivo Clc1cccc(Nc2cncc(-c3cncc(NCCCn4cccn4)c3)n2)c1 13648414 YHWHYCTUDCULTF-UHFFFAOYSA-N 405.893 4.634 0 1 HJAF O=c1cc(N2CCOCC2)oc2cc(-c3ccccc3OCc3ccccc3)ccc12 13677138 CUHUXKHPCWWCRW-UHFFFAOYSA-N 413.473 4.876 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N5CCCC5)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@H]2O 31872198 KRHIHQCEBCPCIT-BITUOTITSA-N 409.618 4.822 0 1 HJAF Cc1cccc(C)c1Nc1nn(CCCN(C)C)c2nc(Nc3ccccc3)ncc12 34894610 NCRTTXWMLNQNSD-UHFFFAOYSA-N 415.545 4.882 0 1 HJAF N=C(NC[C@H]1C[C@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@@H]2c2ccccc2)n1 45190227 CUKUTZPWSOAOPE-ZCQNZVIGSA-N 423.564 4.519 0 1 HJAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccc(C)cc3)CC2)o1 53297725 UNKOWTZVTNVZEG-UHFFFAOYSA-N 418.585 4.514 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 82143128 VQPNFPXOUWCERL-KDURUIRLSA-N 418.541 4.881 0 1 HJAF O=C(O)C[C@H]1O[C@H](c2cccc3c2OCCO3)c2cc(Cl)ccc2-n2cccc21 84687300 NRHOEVJTGYGNPI-TZIWHRDSSA-N 411.841 4.537 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@@H]2[C@@H](C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]42C)[C@@H]1CC3 95910846 OEJGVNMSFPGDPP-VLBNVIFKSA-N 413.646 4.627 0 1 HJAF biogenic,in-vitro CCC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1 96168808 JCGSQFCHNVRYDD-UHFFFAOYSA-N 410.477 4.552 0 1 HJAF O=C(Nc1cccc(CCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1 96285734 MQSGAZCGEVTYKG-UHFFFAOYSA-N 403.501 4.861 0 1 HJAF O=C(Nc1cccc(OCc2ccc(F)cc2F)c1)C1CCN(c2ccncc2)CC1 96285765 TVXVXAIQFKCTHU-UHFFFAOYSA-N 423.463 4.794 0 1 HJAF O=c1oc2ccc(Cl)cc2n1CN1CCC[C@@H]1c1cccc(Br)c1 169341767 YSFJFEBGDGOAEK-OAHLLOKOSA-N 407.695 4.805 0 1 HJAF CN(C)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1Cl 299856497 JDBQXGHMOUXSSO-UHFFFAOYSA-N 410.901 4.905 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Cl)ccnc3[nH]1)N2 587030559 FRGWDLIHDLQQHC-ISAHRAOESA-N 405.936 4.738 0 1 HJAF Fc1cnc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 587084951 JWFUIYZETYJVMR-UHFFFAOYSA-N 404.630 4.637 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587118586 RSLVEDLENHVFIX-UHFFFAOYSA-N 413.119 4.764 0 1 HJAF Cn1nc(-c2nc3c(F)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130616 NCJDGQGUPYKHOZ-UHFFFAOYSA-N 409.371 4.919 0 1 HJAF O=C(/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1ccccc1 587243907 JYQRPTNBJVRHPF-VOTSOKGWSA-N 410.193 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N(C)C)CC2=O 587458261 QLLOBHNLCNCPQI-IBGZPJMESA-N 404.304 4.880 0 1 HJAF Nc1ncc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1C(=O)O 587511683 RJHWLTOFGHAVMH-JOCHJYFZSA-N 414.461 4.614 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)c(OC)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522071 DTSLXIHEELIUGZ-VWLOTQADSA-N 408.494 4.615 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1O 587540930 SAAGCTFKODAZRT-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF C[C@]1(C(F)(F)[C@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550928 WFQULNQUERIPOI-KCXAZCMYSA-N 406.278 4.648 0 1 HJAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587694854 MNHZPUHUJZGNRY-XYZCENFISA-N 412.686 4.652 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1 587711301 JQEZXTJLKATTON-ZKANADHPSA-N 404.201 4.936 0 1 HJAF Cc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F 587718476 ZGODBCCWDPRVJW-SREIQFSDSA-N 409.246 4.996 0 1 HJAF COc1ccc2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587801726 HWNZTWZGAVOQPO-GIPWTMENSA-N 403.295 4.876 0 1 HJAF COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805123 GSQUNFHLBWSRNC-XEKQOVJPSA-N 400.332 4.707 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806685 IITNKRPXFPSADH-QKVFXAPYSA-N 420.322 4.720 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc3cnc(Cl)nc23)N1 587857114 KDQDOMWLINTOCU-UOWDBTKRSA-N 412.715 4.870 0 1 HJAF Cc1cccc([C@@]2(c3cncc4ccccc34)NCCc3ccc(C(=O)N(C)C)cc32)c1 962935439 ZMVAVGQKCVVYMZ-MUUNZHRXSA-N 421.544 4.683 0 1 HJAF Cc1ccnc2c1CCN[C@]2(C)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 963073557 QZPYPEPOXIOFAE-IAGOWNOFSA-N 420.353 4.603 0 1 HJAF CC(C)Oc1ccc([C@@]2(CC3OCCO3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100676 ISQHKPGSNQZURZ-NLFFAJNJSA-N 411.517 4.640 0 1 HJAF C[C@H](NC(=O)N1C(=O)C[C@@H]1Sc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 1857553508 FXWWYLBLFPYVNL-KWQFWETISA-N 416.371 4.503 0 1 HJAF O[C@@H](CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 1857632319 AGWWPMOLCVSNQI-VWLOTQADSA-N 404.529 4.656 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCC[C@H](NCc3ccc(C(F)(F)F)cc3)C2)c1 1857752479 KGMIAYBAUIRESE-SFHVURJKSA-N 422.520 4.668 0 1 HJAF CCCCCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 1857772222 WAFRXBYKBTWJKP-UHFFFAOYSA-N 404.532 4.889 0 1 HJAF COC(=O)c1cc(OC)c2cc(O)c3c(c2c1O)[C@H](C)[C@@H]1[C@H](C(C)C)CC[C@@]1(C)O3 2356586032 JVSMFQFBSQVHOE-GBSLLKIJSA-N 414.498 4.983 0 1 HJAF COc1ccc(CCC(=O)c2ccc(OC(C)=O)c(CC=C(C)C)c2OC(C)=O)cc1 2356723185 ATYZWDDEJAYKCH-UHFFFAOYSA-N 424.493 4.870 0 1 HJAF CC(C)C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1 1915959 DYRNBJYPPUSCSO-LKWCPCFXSA-N 416.464 4.566 0 1 HJAF COC1CCC(OC(=O)[C@H]2C[C@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 11726782 RJBJIKXTJIZONR-LBCBFYIASA-N 424.585 4.683 0 1 HJAF COC(=O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccc(O)cc12 13387714 JENKNOSPMIZSJR-UHFFFAOYSA-N 415.405 4.502 0 1 HJAF biogenic Cc1c(F)c(Oc2cccc(CN(C)C)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474010 DQTMNMNOSWBIOY-UHFFFAOYSA-N 412.440 4.598 0 1 HJAF C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1 13780418 UXCSHAYCUHVVKW-ZDUSSCGKSA-N 417.856 4.933 0 1 HJAF CC(C)=CCc1cc([C@H]2Oc3cc(CC=C(C)C)c(O)cc3C(=O)[C@@H]2O)ccc1O 33831734 YJRGJZBUUOQBFV-LOSJGSFVSA-N 408.494 4.793 0 1 HJAF biogenic CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153038 WHWOXTLAMAZUQG-JDPJUJRCSA-N 400.607 4.894 0 1 HJAF O=C(O)c1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1 40949374 YTQSFJOJKVZOQU-QFIPXVFZSA-N 411.885 4.696 0 1 HJAF O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 59081387 GGNBDYSJSRLCAB-UHFFFAOYSA-N 418.928 4.603 0 1 HJAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169692759 VYXYBKWIYQGIEA-IRAQTCESSA-N 417.505 4.944 0 1 HJAF COc1cc(F)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204170651 JTUYYIYBLVNIGF-UHFFFAOYSA-N 403.461 4.726 0 1 HJAF COc1cc(-c2cccc3[nH]c(-c4n[nH]c5ccccc45)nc23)cc(OC)c1OC 299826932 FJJCHCTWDZRIEA-UHFFFAOYSA-N 400.438 4.799 0 1 HJAF CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 299860051 GKERYGVFGYWXCK-NRVHTZAHSA-N 414.549 4.853 0 1 HJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(C)c(C)c2[nH]1 586963648 PRPLZFWPLSPXBJ-CYBMUJFWSA-N 407.337 4.990 0 1 HJAF CCOC(=O)[C@H]1CCCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993230 VKPNQDDUMAEIRN-KRWDZBQOSA-N 401.462 4.915 0 1 HJAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2C1 587031494 HUVLNRMVVLRFJP-UHFFFAOYSA-N 424.448 4.998 0 1 HJAF C[C@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329787 DJHBDLXWAITPCU-RXVVDRJESA-N 401.796 4.993 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn([C@@H](C)C(=O)O)c3ccccc13)CC2=O 587471775 UOAQEYKIWVLYTR-LFPIHBKWSA-N 407.466 4.826 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(O)c21 587482994 QEAZXDTXGYGNAO-RUZDIDTESA-N 400.430 4.504 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(C)C)c1 587598802 YMXIXUHPWKUHFD-XUZZJYLKSA-N 406.434 4.891 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)s1 587615060 VGURDAZXNANXAC-GHTZIAJQSA-N 408.479 4.542 0 1 HJAF CCOCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587794247 GHHKDLLVFVGAOC-MPBGBICISA-N 408.311 4.757 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(F)(F)F)n[nH]1 587853978 CGAWMNWDNGKPFY-UHFFFAOYSA-N 419.190 4.686 0 1 HJAF c1ccc(-c2csc3ncnc(N4CCC(CNCc5ccco5)CC4)c23)cc1 653778461 UIDLLMJWLSEICL-UHFFFAOYSA-N 404.539 4.958 0 1 HJAF COc1ccc(Cl)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962632653 FWJSONMUMOSFOM-CYFREDJKSA-N 405.929 4.580 0 1 HJAF CC(=O)c1ccc(NC2=C(Cl)[C@@]3(C[C@@H](C)C2)NCCc2nc4ccccn4c23)cc1 962981029 CRLDUUAUPQBHPQ-IZHWHUGBSA-N 420.944 4.870 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]12C(=O)[C@@H](c1ccccc1O)Oc1ccccc12 963226220 GZCRDQCGVUADNJ-ADCSMLMYSA-N 413.517 4.995 0 1 HJAF CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nncn32)C1 1772581168 MFRACPLNOMGXAC-GFCCVEGCSA-N 412.946 4.899 0 1 HJAF Cc1ccc(Cn2cc(CN=c3c4c([nH]c5ccc(Cl)cc35)CCCC4)nn2)cc1 1772635790 VTUKZALKSPQQBB-UHFFFAOYSA-N 417.944 4.749 0 1 HJAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCCc3cccc(C(F)(F)F)c3)ccc12 1857566274 BXGAUYHGMXQOOQ-UHFFFAOYSA-N 420.383 4.677 0 1 HJAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 4207065 LXHCYXYECRBGOX-RBBKRZOGSA-N 414.933 4.708 0 1 HJAF Cc1oc(-c2cccc3ccccc23)nc1CCOc1ccc(CN(O)C(N)=O)cc1 13603985 CTMDXZNMPLDLGP-UHFFFAOYSA-N 417.465 4.695 0 1 HJAF O=c1cc(N2CCOCC2)oc2c(-c3ccccc3OCc3ccccc3)cccc12 13677188 LSZXZMQNDSEKQJ-UHFFFAOYSA-N 413.473 4.876 0 1 HJAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N[C@H](C(=O)O)c2ccccc2)cc1 13732451 NNTXEHYJDBNNKO-QHCPKHFHSA-N 414.509 4.897 0 1 HJAF COc1nc(CSc2ccc(-c3nccs3)c3c2C(=O)C[C@@H](C)C3)ns1 26739723 XBXOXHQNEMHVJF-JTQLQIEISA-N 403.554 4.728 0 1 HJAF C[C@H](Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O 36349019 GQFFWPAHFXPYSA-LLVKDONJSA-N 404.948 4.757 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cccc(F)c5)[C@@H]4O)[C@@H]3CC[C@@H]12 38412187 ZGQXJAMXZIFYHC-VEXGUOEKSA-N 409.545 4.819 0 1 HJAF Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1 40955689 BQZUAHKGFIUDFA-HNNXBMFYSA-N 415.497 4.546 0 1 HJAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1 82188747 GLSQTBVLSHXQKX-SFHVURJKSA-N 400.530 4.632 0 1 HJAF COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 100703983 VFIXYECWCWIOPH-LLVKDONJSA-N 413.886 4.538 0 1 HJAF CCOc1c(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(C)C 116233188 YMLYNZLSCWASTL-UHFFFAOYSA-N 401.459 4.610 0 1 HJAF O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 148055995 SMFOKUWSWBHMFT-NNUKFRKNSA-N 404.392 4.540 0 1 HJAF COc1cccc(-n2cnc3cc(N=c4[nH]nc(Cl)c5ccccc45)ccc32)c1 473106310 WHPPOBXJCRSLKV-UHFFFAOYSA-N 401.857 4.796 0 1 HJAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3ccccc3cc2[nH]1 586953644 PNXLFNOSPAQSLW-UHFFFAOYSA-N 406.492 4.640 0 1 HJAF O=C1O/C(=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)Nc2ccccc21 586989398 HOUAEMHLYCRASI-CIAFOILYSA-N 406.397 4.733 0 1 HJAF Cc1cc(Br)cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587111604 NAPQUHQUPXEVFU-UHFFFAOYSA-N 412.209 4.583 0 1 HJAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5[nH]ncc5cc4[nH]3)n2n1 587120804 WFEJDWAEQZTNGM-UHFFFAOYSA-N 419.370 4.835 0 1 HJAF Cc1nc2cccc3c2c(c1[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 587216076 SFWKQJVJRFXOJB-BJKOFHAPSA-N 409.441 4.785 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O 587436577 ROAMKFPFMMEXPN-AVRWGWEMSA-N 413.429 4.542 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2ccccc21 587457728 BUWQCCFGLWBHOX-HXUWFJFHSA-N 401.256 4.834 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1cc(O)cc(O)c12 587532983 RMZOSCANCAWGMY-VWLOTQADSA-N 400.430 4.991 0 1 HJAF C[C@@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557869 PLPMAHVQYAOWSQ-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC2CCCCC2)n1 587580496 IIQBDNXYFWGBJE-XUZZJYLKSA-N 404.466 4.872 0 1 HJAF CCCCC[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581782 MRSNVDPXNNFDNZ-QPPBQGQZSA-N 406.482 4.872 0 1 HJAF CC(C)=C1NCCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587598943 ZCYQBEMJIJBLEB-BKMJKUGQSA-N 413.473 4.992 0 1 HJAF Cc1cc(C)c2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587610227 PMPUAGBBKVWWNX-NBGIEHNGSA-N 414.413 4.818 0 1 HJAF O=C(Nc1ccc(Br)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651685 XTNSQFGUHLFWKR-UHFFFAOYSA-N 413.058 4.546 0 1 HJAF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587694168 OOPYVAKJOFFWDU-XYZCENFISA-N 414.702 4.970 0 1 HJAF COC(=O)c1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587701564 NXIKTLVBNCOOMI-VVVCHXIZSA-N 412.686 4.652 0 1 HJAF Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12 587779461 SLVSACXBGLIJAI-WLRWDXFRSA-N 401.279 4.774 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795749 JDPLGYGMTKQRRE-YIILKADPSA-N 420.322 4.685 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccncc3)s2)N1 587852741 IIGKJFHNGTVQAJ-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3cccnc3-c3ccncc3)C2)cc1 962630789 FVJXRXKRZFNNTD-RBJSKKJNSA-N 418.544 4.980 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)(C)C(=O)O)(c2ccc(OC)c(F)c2)N1 962950559 RUHXUGSUROUCED-CPJLOUKISA-N 424.516 4.984 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)(C)C(=O)O)(c2ccc(OC)c(F)c2)N1 962950571 RUHXUGSUROUCED-LMKMVOKYSA-N 424.516 4.984 0 1 HJAF Cc1sc2c(c1C)CCN[C@]21c2ccccc2-c2nnc(-c3ccc(O)cc3)cc21 963021548 JPLCZMDSHXAZOY-VWLOTQADSA-N 411.530 4.946 0 1 HJAF COc1cccc2cc3c(nc12)[C@@]1(CCOc2cc(Cl)cc(Cl)c21)NCC3 963052814 DWZQHMGFVQGPTH-NRFANRHFSA-N 401.293 4.722 0 1 HJAF O=C1N(Cc2ccccc2F)c2ccccc2[C@@]12c1c(F)cccc1C[C@@H]1CCCN12 963098405 GQQMKZWDUGTGJS-AFMDSPMNSA-N 416.471 4.776 0 1 HJAF C[C@]1([C@@]23C[C@@H]4C[C@H]2C[C@@H](C4)C3)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963173325 KVHFAPLYEDCFTI-MFVQKBKRSA-N 413.867 4.999 0 1 HJAF Cc1cc(Nc2ccc(Cl)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1 1772641769 VZICKIIZVPCXRL-UHFFFAOYSA-N 421.917 4.998 0 1 HJAF CC(C)c1cc(C(=O)N[C@H]2CC[C@H](N3C(=O)OC(C)(C)[C@@H]3c3ccccc3)CC2)n[nH]1 1772657067 XKRUAIXPMBDFJZ-WFXMLNOXSA-N 424.545 4.546 0 1 HJAF O=C(O)c1cccc(CSc2nc(O)c(Br)c(-c3ccccc3)n2)c1 1857628742 IIWWWULREDJDGH-UHFFFAOYSA-N 417.284 4.602 0 1 HJAF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3C[C@@H](O)C(C)=C[C@H]3O2)O1 2356495142 GYVVQYFUUGEIMA-VUXRACJTSA-N 400.559 4.755 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@H]2[C@H]([C@@H]1C(C)C)[C@@H]1O[C@@H]2CC(C)=CCC[C@]1(C)OC(C)=O 2356754574 OKHREEBDBYKLKA-XPOUIUQRSA-N 404.547 4.602 0 1 HJAF CCOc1ccc(NC(=O)N(C2CCCCCC2)C2CCN(C(C)=O)CC2)cc1 4034609 DMUPOSFADGZISK-UHFFFAOYSA-N 401.551 4.653 0 3 HJAF Cc1ccc(S(=O)(=O)N2CC[C@@]3(Cc4ccccc4)Cc4ccccc4C[C@@H]23)cc1 205715542 URVGKCXHMKRKPS-CLJLJLNGSA-N 417.574 4.786 0 3 HJAF O=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccc(Br)cc21 6041234 NRFIAFHOBIQDRE-UHFFFAOYSA-N 420.060 4.716 0 1 HJAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 15936445 CDVWIDRJWYHNOE-KKNUOHPOSA-N 404.869 4.697 0 1 HJAF O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1OC(F)(F)F 28571636 XZRLVGBZHCJDPS-VAMGGRTRSA-N 421.459 4.611 0 1 HJAF CN(C)Cc1ccn2c(-c3ccnc(NC4CCC4)n3)c(-c3ccc(F)cc3)nc2c1 28963507 CYRCKQIARKMPCT-UHFFFAOYSA-N 416.504 4.623 0 1 HJAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(OC)cc21 40424520 TTWSQVVZKATWJS-UHFFFAOYSA-N 422.569 4.899 0 1 HJAF C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)NCC[C@@H]1CCCN1C 45210409 SRQRTWAZOHAZBY-VWNXMTODSA-N 410.602 4.930 0 1 HJAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)NCc5nccn5C)c4)c3)nc12 45334917 FZLOKEQMEAXOTK-UHFFFAOYSA-N 421.504 4.869 0 1 HJAF N=C(N)Nc1ccc(SCc2cc(Br)cc(Br)c2)cc1 71340285 AJQYAGKBVSKCQD-UHFFFAOYSA-N 415.154 4.809 0 1 HJAF CCN(CC)C(=O)CC[C@@]1(c2ccc(Cl)cc2)c2c(OC)cccc2-c2nccn21 72110392 YBTRRYYNHWVJLG-XMMPIXPASA-N 423.944 4.966 0 1 HJAF in-vitro CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccco1 82142914 MTCGTQJQGUUOMQ-UHFFFAOYSA-N 416.481 4.912 0 1 HJAF c1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)cc1 82178521 UKRAPLBVRAKBJA-UHFFFAOYSA-N 418.570 4.653 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2ccc(C)c(C)c2)nn1C 103192060 LZGAWDRWARLIGA-PXLXIMEGSA-N 420.509 4.752 0 1 HJAF O=C1CCCCCCCCCC[C@H](NS(=O)(=O)Cc2ccccc2)CCCO1 103205077 VRDWETXOYPQKRF-NRFANRHFSA-N 409.592 4.713 0 1 HJAF CCCCc1ncc(/C(Cc2ccc(C(=O)O)cc2)=C(/Cc2cccs2)C(=O)O)[nH]1 169303217 IDZXLZCISXUMHU-HNENSFHCSA-N 424.522 4.836 0 1 HJAF Fc1ccc(C(OCCN2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1 207689284 UIJUWLVWGZVFNM-UHFFFAOYSA-N 408.492 4.893 0 1 HJAF COc1ccc(OC)c([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)c1 238741797 CRCIWFNYOYMWLQ-IETVQMFBSA-N 402.487 4.814 0 1 HJAF CC[C@@H]1CC[C@H]2c3c(O)nc(-c4cc(OC)c(OC)c(OC)c4)nc3S[C@H]2C1 253681432 ATVDVPAZNBSTDN-KFNAQCHYSA-N 402.516 4.643 0 1 HJAF CN(C(=O)c1c[nH]c2ccccc12)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254019057 UBQLHRIDEPRNOO-YBOAYWMSSA-N 411.496 4.647 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586936373 LZDDSADWJYPXMI-GOSISDBHSA-N 417.600 4.633 0 1 HJAF COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl 587001612 OOUMFQDAONEPEW-IHWYPQMZSA-N 421.678 4.929 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587348481 XQBHIXPDEOUNIC-QHCPKHFHSA-N 403.453 4.929 0 1 HJAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351695 KTFFPBXBGDEHTM-LHHVBVAPSA-N 412.457 4.786 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358208 PTSFQYSVEAZNKX-ILBGXUMGSA-N 420.436 4.967 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(F)cc4)c1)[C@@H](C2)C3=O 587428471 NEISSEHRSHAJQD-DFBJGRDBSA-N 420.436 4.911 0 1 HJAF C=CN1CCCC[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477459 YFPSPVCFMMEJBI-LVXARBLLSA-N 419.521 4.978 0 1 HJAF CCOC(=O)[C@@H](Cc1ccc(F)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506296 JUQJVUITNVHDCW-BWKNWUBXSA-N 410.485 4.850 0 1 HJAF C=CN1CCCC[C@@H]([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514666 OHPBHHNFVORXIO-ATIYNZHBSA-N 416.521 4.593 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccc(Cl)cc12 587550458 BAMQWBDDJSCFHG-GHTZIAJQSA-N 407.809 4.935 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12 587748510 XNOUXFYSHOAJIF-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795743 JDPLGYGMTKQRRE-LPLGYCIKSA-N 420.322 4.685 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829754 CFQYSFMWTPBBMS-YBTHPKLGSA-N 406.295 4.633 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC2CCOCC2)N1 587833907 ILKSYUUGRIJVLA-ASSNKEHSSA-N 420.322 4.770 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c1oc1ccccc12 587868158 HHORGQDNCFMCAE-UHFFFAOYSA-N 411.343 4.651 0 1 HJAF CN(C)[C@@H](Cn1c(O)cc(-c2ccc(F)cc2)c1O)c1cccc(Br)c1 587941282 RFRAUTGFJBTHTB-SFHVURJKSA-N 419.294 4.771 0 1 HJAF Cc1cc(C)c(C)c([C@]2(C[C@@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)c1C 962925527 ZHXOCTZMRBPDCX-MQNRADLISA-N 411.590 4.667 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1cc(-n2ccnc2)cs1 962950949 FFXPVSMPJBGXDI-IBGZPJMESA-N 419.472 4.693 0 1 HJAF Cc1cc(O)nc(SC[C@@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)n1 963112122 WPJOKATYCIWDCC-GBXCKJPGSA-N 421.541 4.686 0 1 HJAF COc1ccc(OCc2ccccn2)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963114629 WAYHXXSGPWMWRD-CPJSRVTESA-N 404.485 4.918 0 1 HJAF Cc1ccc(CC[C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1C 963512539 XBZWCEGHTYKOEV-WNCULLNHSA-N 415.533 4.793 0 1 HJAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2CCOCC3)ccc1C(F)(F)F 1772600788 DGZRONNNAOSXHC-UHFFFAOYSA-N 417.431 4.829 0 1 HJAF Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12 1772631352 PLYPCRQXNLIJDU-UHFFFAOYSA-N 416.408 4.745 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2C[C@H](OC(C)=O)C(C)=CCC1 2356458298 KOCINJBLZIFNLK-XQUALCHDSA-N 406.563 4.731 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O 2356631352 ZIISMZIZMXGTAW-RRJVNCKPSA-N 422.562 4.766 0 1 HJAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@](C)(O)CCCCCC)O3 2356698147 KBDXHODIYPYLNP-GBXCKJPGSA-N 416.514 4.573 0 1 HJAF CC(=O)Nc1cc(-c2ccc(CO)cc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 61905825 AXWSZWVPGGQQTF-UHFFFAOYSA-N 409.848 4.912 0 3 HJAF CC1=NN(c2ccccc2Cl)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 5964596 GHEXTNZLHBOGSS-LJQANCHMSA-N 414.943 4.970 0 1 HJAF CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)ccc21 14959412 CHRORNOPUHXOJZ-KRWDZBQOSA-N 403.526 4.934 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)Sc4ccccn4)[C@H]3CC[C@@H]12 26396376 IVMOGXVDSLYJFW-HCQOKHEUSA-N 424.610 4.956 0 1 HJAF CCCCNc1nc(NCCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 34296201 SLQZYNHLLVJCSY-UHFFFAOYSA-N 410.518 4.522 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@H]4[C@H]3CC[C@@H]12 34315788 IVMOGXVDSLYJFW-XNIWGYKRSA-N 424.610 4.956 0 1 HJAF Cc1nc2c3c(c(C(=O)N4CCCCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40934439 QBVQVUQVBYJZSW-SANMLTNESA-N 415.537 4.744 0 1 HJAF NC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1C(F)(F)F 43016207 PXZAVZVJLWBDCB-UHFFFAOYSA-N 417.412 4.760 0 1 HJAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141917 TXCJPBUEIIAJQA-OXJNMPFZSA-N 422.504 4.839 0 1 HJAF CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 95591816 BKAYOILNIKLHMI-RTBURBONSA-N 405.325 4.807 0 1 HJAF CCCOc1ccc(-c2cc(OCCN3CCC(=O)CC3)c3ccccc3n2)cc1 96927225 OUSLCSSECICBTM-UHFFFAOYSA-N 404.510 4.734 0 1 HJAF COc1ccc2c(c1)/C(=C\c1ccccc1/C=C1/C(=O)Nc3ccc(OC)cc31)C(=O)N2 102030178 DAILBDXVLIFMBY-XHQRYOPUSA-N 424.456 4.689 0 1 HJAF COc1ccc([C@H]2C(c3ccccc3)=NO[C@@]23CSc2ccccc2C3=O)cc1 103190271 ALLFBYZEWBKUOB-URXFXBBRSA-N 401.487 4.941 0 1 HJAF Cc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cc1 103268809 FXWXSPHGUNQEFT-UHFFFAOYSA-N 403.392 4.735 0 1 HJAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2cccs2)c(C)c1 141257188 GZWRROHMJHBEIT-DVMWJLJYSA-N 401.572 4.825 0 1 HJAF COc1ccc(Cl)c(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219735711 CXMIAWXRYHMWOC-NRFANRHFSA-N 423.940 4.814 0 1 HJAF O[C@@H]1CN2CCCCCC/C=C\CC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@@H]14)[C@@H]35 238739724 HHMDHZQGNZVLBL-USXSDGOJSA-N 410.646 4.937 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255286713 ZCRRJRCFTGPOMI-AHTKIJSGSA-N 413.646 4.771 0 1 HJAF N=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@H]2c2ccccc2)n1 299808195 CUKUTZPWSOAOPE-CWBXHPNXSA-N 423.564 4.519 0 1 HJAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299874104 AVKLDALPEKNUHT-NJDAHSKKSA-N 400.544 4.612 0 1 HJAF O[C@@H]1C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21 586904325 TWQYMSSBEAOMBY-DGCLKSJQSA-N 413.193 4.793 0 1 HJAF Clc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)nc1Cl 587083901 BSTPBPUNZCOTCY-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF Fc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2c(F)c1F 587182238 CFYAHIYUBXLRMS-UHFFFAOYSA-N 408.548 4.905 0 1 HJAF CC(C)Oc1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258646 PZLOLTPTBHAQHL-FQEVSTJZSA-N 402.498 4.922 0 1 HJAF C/C(=C\[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587341968 ZZLVJSRGAMVJMA-DTHNYOTBSA-N 418.468 4.646 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(OC)cc1OC)CC2=O 587455572 CYIDOPJWGKLCRG-SFHVURJKSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cc(F)cc(F)c1)(c1cccnc1N)CC2=O 587466240 JVGRKNSSRPZLFZ-HSZRJFAPSA-N 410.420 4.509 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCCN(C(=O)OC(C)(C)C)CC1)CC2=O 587478082 ZQXUXLBTCXQEOX-QHCPKHFHSA-N 403.519 4.860 0 1 HJAF COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514495 GCJOHEOTOFXFMX-QHCPKHFHSA-N 416.477 4.553 0 1 HJAF N=c1[nH]c2ccc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 587528304 YVKOIZSGGOXBIQ-SANMLTNESA-N 409.489 4.763 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(Br)c12 587546512 OGPAQLVSFJTEGI-DENIHFKCSA-N 423.262 4.958 0 1 HJAF C[C@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547141 ZHNIPSWPTQEXCP-VQIMIIECSA-N 401.212 4.625 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)nc2sccn12 587620070 WUIDQHHHRTUIPR-HRAATJIYSA-N 404.447 4.682 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1 587722559 SMKDLVHJQHKEGF-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)nc2)N1 587766353 NEYAIOJJXOCZSD-RNODOKPDSA-N 404.327 4.597 0 1 HJAF C[C@@H](c1ccccc1)N1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766787 HVYCIMMVZZUXQI-WIEQDCTASA-N 403.339 4.785 0 1 HJAF CC(=O)OCc1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587846500 HYJWWZTUYQXZLO-MLCYQJTMSA-N 412.324 4.511 0 1 HJAF Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@@H]3C(=O)Nc2ccccc2)c1 653721454 CLZUSPRWCRHKOE-OAQYLSRUSA-N 416.546 4.910 0 1 HJAF NC(=O)c1ccccc1-c1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl 653917159 DEZMJUOFOHJXPS-UHFFFAOYSA-N 408.860 4.838 0 1 HJAF COc1c(C=O)cc(C)cc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962636793 JDYFKBFBNQXDMF-JYFHCDHNSA-N 412.533 4.652 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)OC(C)=O)CC[C@@]32O)C1 2356498934 NDPDEVYMAVFSGF-JXDHJVGBSA-N 420.590 4.644 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=CCN(CC(=O)O)C=C3CC[C@@H]12 2356866246 WOEJKJRYYMIVPV-VFQSNTGXSA-N 415.574 4.783 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(F)cc1Cl 4153227 WBQSPRIOLYAWBI-CTNGQTDRSA-N 418.896 4.886 0 1 HJAF CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@H](O)CC(=O)O1 27216881 GTJZNUCKMJCREJ-LEWJYISDSA-N 422.500 4.801 0 1 HJAF O=C(CC1(C(=O)O)CCCC1)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1 28104526 CZEPGSHEVIBKCM-UHFFFAOYSA-N 422.456 4.927 0 1 HJAF O=C(O)c1cccc(-c2cnc([C@H](O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135879 RCWLHVQRMWRNKS-OAQYLSRUSA-N 400.434 4.768 0 1 HJAF O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1 29409176 YOFPIUPACOQONI-CVEARBPZSA-N 413.272 4.711 0 1 HJAF CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)OCC)C1CC(=O)c1ccccc1 38967984 LNRQKCSJOGBEKG-UHFFFAOYSA-N 410.470 4.842 0 1 HJAF CC(C)CCc1c(F)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc12 43017140 XHKJLSVKGFTJQI-UHFFFAOYSA-N 412.486 4.834 0 1 HJAF COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccco2)cc1 64454380 BARXEXSWTASXNE-NRFANRHFSA-N 400.438 4.566 0 1 HJAF O=c1cc(OCc2cccc(Cl)c2)ccn1-c1ccc(OCCN2CCCC2)cc1 66262945 LSDCVVODSBVDMA-UHFFFAOYSA-N 424.928 4.545 0 1 HJAF O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1 72139530 FRBFSROABWDIGK-XPWALMASSA-N 414.981 4.738 0 1 HJAF CN(C)CCCCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82075119 ARXREODFNQBMTB-UHFFFAOYSA-N 424.341 4.878 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 101503518 XBEXHWPCLKUYDD-XPGWYXGVSA-N 400.490 4.761 0 1 HJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(Br)cc1 104059944 YBJCLXCKALZBJR-XMGGNUPJSA-N 408.292 4.650 0 1 HJAF CCOc1c(F)cccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166557149 NLQDFIJRFMAENJ-IRXDYDNUSA-N 415.358 4.935 0 1 HJAF CC(=O)n1c(O)c(-c2sc(=S)n(CCCCCC(=O)O)c2O)c2ccccc21 169720335 XRTUKIHAWZKVJM-UHFFFAOYSA-N 420.512 4.617 0 1 HJAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12 238786223 DKEQSRPZFZWISN-JFHALJHMSA-N 424.537 4.814 0 1 HJAF COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4cccnc4c3)CC1)c1cccn1-2 299827177 PAVJTIZKZGBFDO-UHFFFAOYSA-N 424.504 4.591 0 1 HJAF COc1ccc(S(=O)(=O)N2CCc3cccc(Nc4ccc(Cl)cc4)c32)cc1 299834643 UYMJXHIKLJCFMR-UHFFFAOYSA-N 414.914 4.844 0 1 HJAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc2ccccc2[nH]1 299845322 ZZAIDBYWOCHAKU-NQIIRXRSSA-N 402.542 4.792 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Cl)ncnc4[nH]3)c(=O)oc2c1C 586919058 XXCVNZKHCASHDB-UHFFFAOYSA-N 424.888 4.665 0 1 HJAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC(C)=O 586992025 MHQSXYJBJBCHGI-UHFFFAOYSA-N 411.413 4.753 0 1 HJAF COc1nccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc12 587061391 LJJQZQURIXDVOB-UHFFFAOYSA-N 418.888 4.697 0 1 HJAF COc1cc(OC)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 587130529 UCNOEFLTWYCRET-LURJTMIESA-N 406.767 4.915 0 1 HJAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Cl)cc2[nH]1 587167606 OUTJAXBFQWYDKU-UHFFFAOYSA-N 407.879 4.885 0 1 HJAF Fc1ncc(Br)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587178215 VMMJLBUHWGMEQG-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF Cn1ncc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587339196 FJZXVHNHMHZQJB-ISKFKSNPSA-N 402.425 4.692 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)sc1Br)O2 587409304 HNGPFYHWFNPDPH-NSHDSACASA-N 417.122 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3-c1ccc(F)cc1)CC2=O 587472479 RJWSXNQXERAVAU-DEOSSOPVSA-N 406.457 4.867 0 1 HJAF Cc1cc(=O)oc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12 587609601 OFTNSVPMWAQHER-ZJSXRUAMSA-N 400.386 4.510 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCCCC2=O)(C(F)(F)F)N1 587712018 ZHORCQORTXANQO-SEFYAATASA-N 408.233 4.639 0 1 HJAF CC(C)C(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587745668 WZZPKQKUSNHFPE-ZSEKCTLFSA-N 419.338 4.980 0 1 HJAF Cc1nccn1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587759255 ZTFZEZUIWUKRDF-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc3c(cc2s1)OCO3 587864202 MJKTYTIZOUBAET-UHFFFAOYSA-N 419.384 4.905 0 1 HJAF O=C1[C@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 653697691 RMUBLIPLPBHVJG-VWLOTQADSA-N 424.588 4.770 0 1 HJAF Cc1ccc(C(=O)CN2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1 653769946 JESZCSVHQMJPSM-UHFFFAOYSA-N 422.532 4.610 0 1 HJAF COc1ccccc1-c1ncc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962772052 VFGAEUZGURCOJO-CRAIPNDOSA-N 418.440 4.554 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]12CCN(C(=O)OC(C)(C)C)CC2(C)C 963290813 YPUQQSYNUHVEIX-OAQYLSRUSA-N 423.395 4.799 0 1 HJAF NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(Cl)nc3)cc2n1 1857551210 GJIJMADMVAURBH-UHFFFAOYSA-N 413.861 4.829 0 1 HJAF CC[C@@H](C(=O)NCc1ccccc1)n1c(-c2ccc3c(c2)CCO3)nc2ccccc21 95599523 OKQFUKXVJZTSAX-QFIPXVFZSA-N 411.505 4.906 0 3 HJAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)CCC1CCCC1 25965147 NWZJYAFFJRBOHR-MDBHBZJLSA-N 420.590 4.510 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(F)cccc2[C@H]1CN1CCCC1 26744134 ZHJBJLVQIWKEQE-OAQYLSRUSA-N 421.343 4.897 0 1 HJAF O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N(CC1CC1)[C@@H](c1ccccc1)CO3 28953812 JMXLIPHCMSXPFF-GOSISDBHSA-N 400.400 4.897 0 1 HJAF C(=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1)\c1ccccc1 100108318 TZCNQHQFHJRCDL-LEOXMXONSA-N 410.517 4.526 0 1 HJAF O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1 101007665 RUNIZNWDLDTNRM-QFSBIZTOSA-N 402.368 4.527 0 1 HJAF CCCCOc1cc2nnnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC 103295888 XWKLBLXVVYJXEE-UHFFFAOYSA-N 408.380 4.855 0 1 HJAF CN1c2ccc(-c3cccc([C@H](O)CO)n3)cc2CCc2cc(C(F)(F)F)ccc21 473126505 UBKUXPTYBVLCEK-JOCHJYFZSA-N 414.427 4.660 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1 586917170 AAUWQACRZQGDOA-NRFANRHFSA-N 402.406 4.654 0 1 HJAF CC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 586949174 STNGOBVXWKPPON-UHFFFAOYSA-N 405.479 4.542 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3Cc1ccc2c(c1)OCO2 586991049 KQVJREMHFCALGH-AWEZNQCLSA-N 407.425 4.763 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587043171 PYIQDSTXXYHSHG-CQSZACIVSA-N 413.808 4.770 0 1 HJAF Nc1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(-c2ccccc2Cl)n1 587060952 QZBXZYVDEWUNSV-UHFFFAOYSA-N 405.767 4.821 0 1 HJAF Cc1onc(-c2nc3ncc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 587076026 OCIOUKAJXATKHG-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1F 587238287 BMNWYQUIPHSPDB-NYFKNOIKSA-N 403.498 4.565 0 1 HJAF CCc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(S)n1 587375185 LIQASXSQYMARDV-REWPJTCUSA-N 424.497 4.755 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCCO3)(c1ccccc1Cl)O2 587377850 KPGRWOHIBOYRKA-XMMPIXPASA-N 421.880 4.911 0 1 HJAF COc1cc2c3c(c1)OC1(CCC4(CCCN4Cc4ccccc4)CC1)[C@@H](C2)C3=O 587444464 QDKKIYKADOIZIR-PMWKKSSLSA-N 403.522 4.790 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC(=O)O)cc1F)CC2=O 587466303 KQJZIEFNTPWBFA-OAQYLSRUSA-N 404.459 4.541 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O 587470501 KGIHOXNWTNKXPA-VWLOTQADSA-N 421.493 4.963 0 1 HJAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587505747 LJALGTNYRXYPOZ-HSZRJFAPSA-N 414.885 4.953 0 1 HJAF O=C1C[C@]2(CCCc3nc(Br)sc32)Oc2c1ccc1c2CCCC1 587535966 QLPMRLZQLZOKPV-IBGZPJMESA-N 404.329 4.981 0 1 HJAF C[C@]1([C@@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584183 XALGVGFFDPQHLB-FRPAHBMMSA-N 415.489 4.635 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1SC 587614329 RVQRWBIAOLXUQP-REWPJTCUSA-N 424.474 4.834 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587790361 CHOHFHYKTXFNGQ-FIKIJFGZSA-N 417.322 4.616 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799575 SLVKPHFBWDIYHT-OPURJYLOSA-N 412.343 4.707 0 1 HJAF Cc1cnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856227 WWWRELNGIKYLDH-DYZYQPBXSA-N 406.324 4.767 0 1 HJAF COc1ccc(CCCc2nc3cc(Br)c(F)c(F)c3[nH]2)c(OC)c1 587929244 UABPRRPMADPIGA-UHFFFAOYSA-N 411.246 4.796 0 1 HJAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587961859 GTQLBDFUWIVNJJ-STQMWFEESA-N 415.415 4.992 0 1 HJAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)c2nc3cccnc3[nH]2)cc1Cl 653784981 MLDNEBSJFNQGOY-HNNXBMFYSA-N 403.935 4.727 0 1 HJAF COc1cccc2c(N[C@@H](C)c3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797922 SSKAGUSOMHPRBD-HNNXBMFYSA-N 410.481 4.733 0 1 HJAF Clc1ccc([C@@]2(c3ccccn3)c3ccsc3CCN2Cc2cccnc2)cn1 963007715 JUEFNCQAURRCGP-QHCPKHFHSA-N 418.953 4.937 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](c1cn(C)c2ccccc12)(C(F)(F)F)NCC3 963035196 MOLCHGXHTRJOKP-QFIPXVFZSA-N 411.427 4.687 0 1 HJAF CN1C(=O)C[C@H]2CN[C@H](c3c[nH]c4cc(OCc5ccccc5)ccc34)c3cccc1c32 963038602 WODCODGORJMMNL-MYUZEXMDSA-N 423.516 4.890 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)CCCC(=O)c1ccnc(Cl)c1 963643174 ZIVJTCFWZVSUDK-FPTDNZKUSA-N 402.922 4.555 0 1 HJAF O=C(O)c1cccc(CSc2nc(O)nc(SCc3ccc(Cl)cc3)n2)c1 1857535630 FYAHYZRUXAEAMC-UHFFFAOYSA-N 419.915 4.513 0 1 HJAF CO[C@@H]1O[C@]2(OC)C=C[C@H](C)[C@@H]2[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@H]2C(C)=CCC=C(C)C 2356440044 LFEUVENANNYFTC-HYKSFCOBSA-N 404.547 4.641 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCCC2)[C@H]1c1c[nH]c2ccccc12 2469323 NHESVOSAMPVXMO-BJKOFHAPSA-N 415.537 4.917 0 1 HJAF O=C(O)[C@H]1CCCN(CCO[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 13729411 FVNOEKJSWVNJPE-PXNSSMCTSA-N 408.325 4.896 0 1 HJAF CCOc1cc(CNCc2cccn2-c2sc(C)c(C)c2C(=O)O)ccc1OC 21935442 HOTKUXOXAADSMO-UHFFFAOYSA-N 414.527 4.551 0 1 HJAF COc1cc(C(=O)N[C@@H]2[C@@H](C/C=C/CCCC(=O)O)C[C@H]3C[C@@H]2C3(C)C)cs1 26496213 DJWHZRFVZXTSBD-AKPWRGIASA-N 405.560 4.739 0 1 HJAF CCN(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 26954462 JSVCHYCWIRWLJK-CLFBJZRYSA-N 420.597 4.953 0 1 HJAF O=C(OCCCCN1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1 28650685 ZUARKRNDJKGEIT-UHFFFAOYSA-N 401.934 4.958 0 1 HJAF in-vivo Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2Cl)n1 28709531 RUCJHTMNODDPBP-UHFFFAOYSA-N 422.828 4.937 0 1 HJAF CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O 34717683 SOUNJDHGUGDNBB-JOCHJYFZSA-N 404.466 4.685 0 1 HJAF COP(=O)(OC)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 73220165 GHRBFNCIOJZUDG-QGZVFWFLSA-N 418.213 4.673 0 1 HJAF COc1cnc(N[C@H]2CC[C@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1 115457820 QXGKJBPWIZWABK-KDURUIRLSA-N 421.520 4.585 0 1 HJAF COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1 144486966 KAOXBGBUARKCMM-ZDUSSCGKSA-N 403.417 4.540 0 1 HJAF COc1ccc(Cl)c(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219735638 CXMIAWXRYHMWOC-OAQYLSRUSA-N 423.940 4.814 0 1 HJAF CN(CC(F)(F)F)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586986976 RRHXUXBBIOEOSC-LBPRGKRZSA-N 412.411 4.503 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](CO)(c1ccccc1)C3 586989908 ANMLVASWVZTMBI-MHZLTWQESA-N 407.469 4.571 0 1 HJAF O=C(c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587133654 YBBWCHCBUYNCDA-UHFFFAOYSA-N 413.545 4.702 0 1 HJAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(Cl)c4[nH]3)o2)c1 587157404 KTXJKQZMMDDACQ-UHFFFAOYSA-N 421.657 4.953 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cccc(N)c3Nc3cc(C)cc(C)c3)nc2cc1OC 587239314 VSWZMHFBLZCGOZ-UHFFFAOYSA-N 416.481 4.968 0 1 HJAF C[C@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337437 VNDTZCRZCSYHRP-VGOFRKELSA-N 417.358 4.805 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Br)ccc1O)O2 587377886 PNCLYMZKBKODFI-QFIPXVFZSA-N 424.294 4.954 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)O2 587382227 KSTNIRZGHXTABU-INIZCTEOSA-N 421.419 4.682 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccccc4F)c1)[C@@H](C2)C3=O 587426468 OKCKRFHUKYKBNF-BVZFJXPGSA-N 420.436 4.911 0 1 HJAF COC(=O)c1cccc(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587445387 YLVIXBIEXORMJB-RLWLMLJZSA-N 414.457 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cc1OC)CC2=O 587463542 YNRUJQSPUHAWKA-QFIPXVFZSA-N 417.889 4.759 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(Cl)cc2c1=O 587550840 CCQZKKORQYGPEM-WMZHIEFXSA-N 420.804 4.855 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OC(F)(F)O3)N1 587723312 WVBJAHYLSLFBGY-ANRSDYALSA-N 400.194 4.533 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587742315 KPCFICSOSARIPT-RBZFPXEDSA-N 405.311 4.675 0 1 HJAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587776395 XGWXXXJSCZXTOX-WYRIXSBYSA-N 401.279 4.769 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587795238 NUJWAYSNULZXKD-FIKIJFGZSA-N 417.322 4.616 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1ccccn1 587866292 IYKFCCPWSZIUFG-UHFFFAOYSA-N 407.417 4.795 0 1 HJAF Cn1nc(C(F)(F)F)c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)sc21 587873624 FFQFWIDAZAPHAU-UHFFFAOYSA-N 408.336 4.450 0 1 HJAF CCOc1cc(-n2c(OC)cc(-c3ccccc3)c2OC)c(Cl)cc1C(=O)O 587940142 GUWXYFQQQUQZCJ-UHFFFAOYSA-N 401.846 4.912 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(F)c4[nH]1)(C3)C2 587949774 BJZPAUSYWAIGOX-ORMMXULVSA-N 407.283 4.618 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(c1ncc(C(F)(F)F)cc1Cl)N(C)[C@@H](C)C2 962574136 SVQSYFKVZVDDDU-WLRWDXFRSA-N 414.855 4.911 0 1 HJAF Cc1cn2c([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)c(C)nc2s1 962636428 NWBHNUNUMAFJRU-URXFXBBRSA-N 414.578 4.849 0 1 HJAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962639279 PYDQNBGTAQHXBJ-LFOKJVLGSA-N 423.604 4.923 0 1 HJAF C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(-c3ccc(O)cc3)nc2c1 1857639291 AXUPMHOERPXXSQ-LBPRGKRZSA-N 410.376 4.885 0 1 HJAF C[C@H]1C[C@@]23CC[C@H]4[C@@](C)([C@@H](OC(=O)CCC(=O)O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 1911583461 AMZJLGNABSTMIK-ZQRFPHFHSA-N 420.546 4.507 0 1 HJAF C[C@@H]1C[C@H](O)[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356646864 RFIYLZGMGGONQR-VPTXGHBCSA-N 413.646 4.626 0 1 HJAF NCc1ccc(OCCCN2CCC([C@@](O)(C3=CCCC3)c3ccccc3)CC2)cc1 198363262 TVRSTPASDUWGRM-MHZLTWQESA-N 420.597 4.624 0 3 HJAF CCN(c1cc(C)nc2c1NC(=O)CN2c1cc(F)c(OC)cc1Cl)C(C)C 13584787 DZXRTFDRCBHMEB-UHFFFAOYSA-N 406.889 4.516 0 1 HJAF Cc1cccc(-c2nc(SC[C@@H]3C[C@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1 27433518 LDYIMNWESYEUBM-CYFREDJKSA-N 422.550 4.909 0 1 HJAF O=S(=O)(CC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28219602 UABFOFYLEHVHID-UHFFFAOYSA-N 416.371 4.715 0 1 HJAF CC(C)N(CC[C@](CCN(C)C1CCCCC1)(C(N)=O)c1ccccc1)C(C)C 39254127 UAPPLWSYEGNSAN-VWLOTQADSA-N 401.639 4.573 0 1 HJAF Cc1cccc(CSc2nnc([C@@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 40404071 DSFXOFJJZVCBKS-CQSZACIVSA-N 412.544 4.578 0 1 HJAF CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccccc2)c2ccccc21 49111051 VSEQHQHTFSCJDD-KOSHJBKYSA-N 420.534 4.768 0 1 HJAF CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 82141364 CRLAYLWVYQBXKQ-NLCWTHGUSA-N 410.537 4.857 0 1 HJAF COc1cc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)ccc1O 102714355 MTQFWVFYYRXAEG-IBGZPJMESA-N 403.438 4.506 0 1 HJAF Cc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3CCc3ccccc32)cc1 205127241 YLWYLXAUARCZSU-QHCPKHFHSA-N 403.547 4.531 0 1 HJAF CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2(=O)=O 299854428 YVKXVUABTJSMKC-INIZCTEOSA-N 402.585 4.567 0 1 HJAF biogenic,in-vitro O=c1ccc(-c2nc3c(Cl)ccnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587051966 HFOBAALRXYPTRD-UHFFFAOYSA-N 405.672 4.795 0 1 HJAF COC(=O)c1cccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587138692 QMGAFQVFIKKKDQ-UHFFFAOYSA-N 408.360 4.660 0 1 HJAF CCCCCOc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248465 QNCHPXSTDAHSRY-UHFFFAOYSA-N 418.291 4.842 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O 587427359 SXUNREZSYPMHBU-MBSDFSHPSA-N 404.393 4.688 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(OC)c(OC)c4)cc1)[C@@H](C2)C3=O 587442095 JVUDIRSFOVSOBP-UQBPGWFLSA-N 402.446 4.868 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC(=O)O)c(F)c1)CC2=O 587467990 VQAAZHBUPYBPCJ-OAQYLSRUSA-N 404.459 4.541 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C)c(N)c21 587472357 HDBMUNAFNJASFG-SANMLTNESA-N 413.473 4.689 0 1 HJAF COC(=O)c1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496139 HDYPMOHEYPGOBC-IBGZPJMESA-N 415.283 4.821 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(F)(F)C1 587507454 QBCSVUWOQRXUPU-OAQYLSRUSA-N 407.457 4.546 0 1 HJAF CC(C)COc1cccc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587565767 JXXAMWFQBMTCGE-UHFFFAOYSA-N 400.788 4.591 0 1 HJAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 587600582 OMITWAPTFARNGT-RDGATRHJSA-N 402.446 4.983 0 1 HJAF CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757976 VVIBREQIJNDXGN-HXPMCKFVSA-N 415.347 4.643 0 1 HJAF CCOC(=O)C[C@]1(CCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792783 CXFJINTUIJGOIY-DJJJIMSYSA-N 400.332 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587801455 GQNQSONOBWNTSR-FIKIJFGZSA-N 414.322 4.766 0 1 HJAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835643 WXRGBJGAAHRRGC-KPFBPEDLSA-N 420.322 4.554 0 1 HJAF Cc1cc2c(cc1F)[C@@H](c1ccc(OCCN3CCCCC3)c(Cl)c1)NCC2 962376812 QUIMMTJJDOQHJA-HSZRJFAPSA-N 402.941 4.887 0 1 HJAF CC(C)n1cc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962674096 VISQUSLAOFBBIN-ZEQKJWHPSA-N 413.521 4.958 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@H]([C@@H]2CCc3[nH]c4ccc(F)cc4c3C2)N1)C(F)(F)F 962773477 WOKISBXBGMAJLF-HBUDHLSFSA-N 416.418 4.799 0 1 HJAF O=C(O)c1ccoc1COc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963102163 KITRGXXLFVWKHG-FDDCHVKYSA-N 407.441 4.806 0 1 HJAF O=C(Nc1ccc(O)c2ncccc12)c1ccc(OC(F)F)c(OCC2CC2)c1 1857550161 MRSPGZHAXQJCIH-UHFFFAOYSA-N 400.381 4.583 0 1 HJAF C[C@@H](C(=O)NCc1cccnc1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857633821 IILNGWWUALFPNL-CQSZACIVSA-N 400.404 4.659 0 1 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403.353 4.980 0 1 HJAF CCCCc1nn(CC)c(C(=O)O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1 28240669 MSWFFXZPVIDSEH-UHFFFAOYSA-N 406.482 4.900 0 1 HJAF CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 28701976 WTBDNHCIGRRPJK-JGQJCFNXSA-N 402.531 4.811 0 1 HJAF O=C(Nc1nc(-c2cccc(F)c2F)cs1)c1ccc(Nc2ccncn2)cc1 28952557 KJSGODHTKYUUSC-UHFFFAOYSA-N 409.421 4.874 0 1 HJAF CC(C)[C@H](COCC1CCN(C(C)C)CC1)NC(=O)c1ccc2c(Cl)c[nH]c2c1 28957745 DDJOHEXSTRCTSJ-QFIPXVFZSA-N 419.997 4.713 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccccc2Cl)C(=O)C1 59278839 KENCGSQIQBHEEF-UHFFFAOYSA-N 417.214 4.501 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2)C1 82133326 UOONZKNESGEHCL-IYWMVGAKSA-N 406.574 4.744 0 1 HJAF O=C(CSc1nnc(-c2ccnc(Cl)c2)o1)c1ccc(Br)cc1 84670113 BTZMMHCADIMQOE-UHFFFAOYSA-N 410.680 4.523 0 1 HJAF COc1ccc2c(c1)c1c(n2C(=O)c2cccc(C(F)(F)F)c2)CC[C@H](C(=O)O)C1 95584325 PVNXVJLHOMEPSO-ZDUSSCGKSA-N 417.383 4.547 0 1 HJAF 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416.602 4.775 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299880293 MAPXQIJRDUNXME-KZKAQZJJSA-N 416.562 4.519 0 1 HJAF CC(=O)N[C@H](Cc1nc2ccc(OC(C)C)cc2[nH]1)c1ccc(Br)cc1 586984009 BPUTWWSPICDELB-GOSISDBHSA-N 416.319 4.533 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 587025538 HIWRBQYZBKWDLU-SNPRPXQTSA-N 418.925 4.887 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)OC)cc2[nH]1 587033899 KCNCWLNKZKCFFX-INIZCTEOSA-N 407.495 4.835 0 1 HJAF Clc1ccccc1OCc1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)o1 587065278 XFQYEQIZXXSMCP-UHFFFAOYSA-N 423.900 4.888 0 1 HJAF CN(C)/C=C/[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543339 BJITXXGXLOZRLG-AHUNDJPPSA-N 421.880 4.978 0 1 HJAF C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553968 CAKOAUTVIMAFKL-YCRPNKLZSA-N 404.315 4.826 0 1 HJAF Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587557468 RXUOZNVVLZKVCN-MLGOLLRUSA-N 424.762 4.501 0 1 HJAF Cc1oc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677880 JDYVHCAOESAYKD-MLXNANBUSA-N 403.089 4.876 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 587710254 QXUXZERFCGTFCC-JDNHERCYSA-N 416.212 4.957 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789156 AGNWWDYUIWEAKN-GIPWTMENSA-N 416.294 4.611 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587791299 LIOOYPCTHFGXDP-WVDJIFEKSA-N 423.326 4.508 0 1 HJAF CCOC(=O)C[C@]1(CC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800169 VKQNOMOTXVWLAF-CWTRNNRKSA-N 400.332 4.707 0 1 HJAF CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587833822 IHPDWGPRGQPSLR-YEJXKQKISA-N 420.322 4.937 0 1 HJAF COc1ccc2c(c1)[C@]1(CCS2)N[C@H](C)Cc2cc(Br)c(F)cc21 587856573 IVBUISHJEIAYSM-NSPYISDASA-N 408.336 4.870 0 1 HJAF O=C(O)CC[C@@]1(c2ccccc2Cl)NC2(CC2)Cc2ccc(Br)cc21 961614924 OMZIPJUSMJMNAF-FQEVSTJZSA-N 420.734 4.889 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)N(C)[C@@H](C)C2 962620261 FNQHQQDJMKZOMA-MRDQGFSESA-N 417.505 4.570 0 1 HJAF Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3NCCc4c3c(C(C)C)nn4C)n2c1 962905486 FENQMKCAFXNSMA-HSZRJFAPSA-N 421.495 4.680 0 1 HJAF COc1cc(N(Cc2ccc(Cl)cc2)CC2CC2)ccc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772585027 PWUXCBGKWGLWDX-UXHICEINSA-N 413.901 4.669 0 1 HJAF CCc1cnn2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)ccnc12 1857534053 QSRYKBOOJQJZQD-UHFFFAOYSA-N 409.486 4.558 0 1 HJAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4)cccn23)cc1F 1911578244 FLHSFIKLKCQDPK-UHFFFAOYSA-N 403.457 4.778 0 1 HJAF CC(=O)O[C@@H]1O[C@H]2O[C@@H](OC(C)=O)[C@H](CC/C=C(\C)CCC=C(C)C)[C@H]3CC[C@@H]1[C@@H]23 26023788 QXERFTWSGHVLIY-TXUGNOLBSA-N 420.546 4.883 0 1 HJAF O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccc(OC(F)(F)F)cc1 28571621 LITSAXUKHSGXCN-NJYVYQBISA-N 421.459 4.611 0 1 HJAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O 66165898 WGSZYXOFBZFPTI-HKUYNNGSSA-N 414.292 4.773 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3)n2)o1 82132347 SOXYMHZLJQCZRU-UHFFFAOYSA-N 404.514 4.967 0 1 HJAF O=C(Nc1ccc(Nc2ncnc3[nH]ncc23)cc1)Nc1ccc(C(F)(F)F)cc1 95589820 NCYWRKUXDWOIBL-UHFFFAOYSA-N 413.363 4.759 0 1 HJAF CCC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C(\C)I)cc1)N2 101843925 FMZWUJWDVRSFBN-BLKLBIBRSA-N 409.311 4.686 0 1 HJAF COc1ccc2c(c1F)CC[C@]2(Cc1ccc(C(F)(F)F)cc1)c1cn(C)c(N)n1 115348473 SIEBIQZHYVEHDM-OAQYLSRUSA-N 419.422 4.644 0 1 HJAF O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1 169356303 AUQNPCFBIYVHNH-RJGXRXQPSA-N 414.981 4.738 0 1 HJAF O=C1CN([C@@H]2CCCc3c(OCc4ccncc4)cccc32)C(=O)N1C1CCCCC1 230567954 JRKQFFUXSICRDR-JOCHJYFZSA-N 419.525 4.635 0 1 HJAF COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)Nc1c(C)cccc1C)c1ccccc1 299871163 XYAPWMVHNYRNSY-DEOSSOPVSA-N 400.478 4.581 0 1 HJAF Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCC3)cc2Cl)cn1 473109480 SCHCEXMOLBCSMV-QGZVFWFLSA-N 413.934 4.910 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 474609049 NZBHFBGHVBAHOW-FQEVSTJZSA-N 417.534 4.752 0 1 HJAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C1CCCC1)-c1ccccc1C3=O 586989433 IQPQHBIHTPTKAK-UHFFFAOYSA-N 401.462 4.915 0 1 HJAF CCOC(=O)C[C@H](C(=O)CC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587106757 NXBICCXLDCSGHS-GOSISDBHSA-N 401.462 4.771 0 1 HJAF CC(C)Oc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587162334 AYHQJYDHJDMYLU-SFHVURJKSA-N 406.299 4.903 0 1 HJAF O=C(O)CC[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329915 DNWGYWIYYWZPMU-LADGPHEKSA-N 424.399 4.790 0 1 HJAF O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2N1 587351906 VRDBWAVAKWMKPS-UPVQGACJSA-N 403.409 4.518 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccccc1 587399311 IXMYOYGAIUMGPW-QHCPKHFHSA-N 419.477 4.750 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)c4csc(C)c4)cc1)[C@@H](C2)C3=O 587454206 XFDJSDLGKMVHGX-YADARESESA-N 419.502 4.980 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O 587475540 PFVBOWDGYZNTRP-MGPUTAFESA-N 403.519 4.716 0 1 HJAF NCCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511488 QFZKBWGNKLRQLG-MHZLTWQESA-N 413.517 4.812 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1cc(O)cc(O)c12 587532982 RMZOSCANCAWGMY-RUZDIDTESA-N 400.430 4.991 0 1 HJAF Cc1cc(Cl)cc2c(-n3nnn(-c4ccccc4Cl)c3=O)c(C(C)(C)C)[nH]c12 587623622 KFBNVWGMCMNMOQ-UHFFFAOYSA-N 416.312 4.812 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)F)c2)N1 587720346 SSHOVWGEHBSZHY-XTZNXHDOSA-N 400.238 4.987 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723352 XDZZQDLDFUJASI-CKPWKLJSSA-N 410.155 4.907 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccn2)N1 587730994 GMWUVDDWDYOWAE-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(F)c3)CC2)N1 587732403 NAWWRGNZTKOMDR-CYBMUJFWSA-N 407.302 4.757 0 1 HJAF COc1nc2ccccc2cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587778360 MKGZPEJPLUQVBD-NSPYISDASA-N 401.279 4.769 0 1 HJAF CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799928 VATKDGZNEYCULC-SPLOXXLWSA-N 420.322 4.514 0 1 HJAF COc1ccc(OC)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1OC 587924835 AFAHSOPRKUEOQQ-UHFFFAOYSA-N 402.756 4.808 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(Br)c1F)N(C)[C@H](C)C2 962620862 AILSWYRQGGQKPK-MLCYQJTMSA-N 412.274 4.710 0 1 HJAF COc1cccc2cc3c(nc12)[C@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)NCC3 963047364 OHJXLQPXGQJSKG-VSGBNLITSA-N 424.544 4.983 0 1 HJAF CCOC(=O)CC[C@]1(c2ccc(Cl)s2)NCCc2c(OC)ccc(Cl)c21 963259640 SBXHTWCIUSUYHB-LJQANCHMSA-N 414.354 4.796 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@@H]1c3cc4c(cc3OC[C@H]21)OC(C)(C)[C@@H](O)C4 2356412075 HAOOQCMPFMLAJM-RVSNTGDXSA-N 408.494 4.585 0 1 HJAF CC(=CCC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C)Cc1cc(C)co1 2356439948 IVRBZHGZUKMJJC-FBOFTVOISA-N 412.482 4.719 0 1 HJAF Cc1ccc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C 8667231 HDMHXBLOPCWJEV-UHFFFAOYSA-N 415.493 4.650 0 3 HJAF CC[C@@H](C)N(C(=O)CSc1nnc2scc(-c3ccccc3)n12)[C@H](C)CC 206491883 KDHPHIRSGXKBCT-HUUCEWRRSA-N 402.589 4.976 0 3 HJAF COC(=O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729551 FXQFHTPFBZPCEF-GOSISDBHSA-N 422.352 4.984 0 1 HJAF CCNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 14957780 MINCWMVJSPHHTM-CQQBXOTJSA-N 413.525 4.509 0 1 HJAF O=C(O)c1cn(C2CC2)c2c(F)c(CNc3ccc(Cl)cc3)c(F)cc2c1=O 27316952 GLTCEFDHJSTBAZ-UHFFFAOYSA-N 404.800 4.578 0 1 HJAF Cc1ccc(-c2ncc(C(=O)N[C@@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1 28900296 VHPXHLMBOHUIJE-OAQYLSRUSA-N 403.526 4.564 0 1 HJAF N[C@@H](COCc1ccccc1)c1csc(NC(=O)Nc2ccc(Cl)c(F)c2)n1 73239939 AQOXDXFZRWFYFH-INIZCTEOSA-N 420.897 4.796 0 1 HJAF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccc(Cl)cc2)S3)c1 73294543 HMBOWGKGBVLHOY-OAHLLOKOSA-N 423.723 4.718 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1 82180241 BADJTHHRSJMTNM-UHFFFAOYSA-N 410.481 4.645 0 1 HJAF O=C(Nc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 84671041 FHZHGMCMPLAIMD-UHFFFAOYSA-N 400.526 4.695 0 1 HJAF COc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 84688259 FEXVIXMEUVTBHL-IBGZPJMESA-N 400.482 4.891 0 1 HJAF N[C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(=O)O 84705827 CGMVZNSFIJEYOK-JTHBVZDNSA-N 411.954 4.971 0 1 HJAF O=C1C(=O)N(c2ccccc2-c2ccccc2)CCN1Cc1ccc(F)cc1Cl 95565099 PKIKMTGUKXYJQS-UHFFFAOYSA-N 408.860 4.522 0 1 HJAF O=C(O)CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(-c2ccccc2)cc1 95604931 HBCUDWHEJFYEGN-XDHOZWIPSA-N 422.531 4.656 0 1 HJAF O=c1c2cc(Cc3ccc(Cl)nc3)c3ccccc3c2ncn1[C@H]1CCCC[C@@H]1O 118668452 ABNCFPYCMDGBQM-SFTDATJTSA-N 419.912 4.665 0 1 HJAF CC(C)[C@H](C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166619106 SXFKDYVTXKRPLV-SFHVURJKSA-N 418.541 4.537 0 1 HJAF C[C@@](O)([C@@H]1CCCCN1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 169290417 DXHPRGWXTHSUDR-XCQNKYIYSA-N 403.651 4.899 0 1 HJAF COc1ccc(-n2c(O)c3c(c2O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 169693819 PRHTZTFMDRWGTA-PXNSSMCTSA-N 424.884 4.625 0 1 HJAF Cn1cc(-c2cc(C(F)(F)F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1 205312881 VYWWDAYVDMPCKN-UHFFFAOYSA-N 407.399 4.893 0 1 HJAF CC1(C)c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2F)CC1)OCO3 206550517 LVXCBKMAGLLGTC-UHFFFAOYSA-N 424.516 4.548 0 1 HJAF O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1 216069005 SRPGXRPJGTVMGV-UHFFFAOYSA-N 419.305 4.908 0 1 HJAF O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cc4cc(F)ccc4[nH]3)cccc2c1 225115634 DFUGFDUJPCMTAO-UHFFFAOYSA-N 418.453 4.718 0 1 HJAF COC(=O)c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 586900270 BCKJHSRXUYNPQA-APWZRJJASA-N 417.440 4.801 0 1 HJAF CCOC(=O)CNc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587225399 QMDRQIRTEMYFDT-UHFFFAOYSA-N 401.466 4.784 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c(F)c1 587384431 DAHFBDCPKMKBNQ-JOCHJYFZSA-N 405.425 4.876 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cc(F)cc(C(=O)O)c4)c1)[C@@H](C2)C3=O 587427040 GBKJKFNXKFUWEG-NBGIEHNGSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3[nH]c(=N)[nH]c3c1)CC2=O 587484838 NWVAGBQFDICVDS-RUZDIDTESA-N 413.477 4.543 0 1 HJAF O=C1C[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587529004 HJLJKZQKDAKVGG-SANMLTNESA-N 406.522 4.785 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2F)no1 587571207 ZVEVPXLGJGISCK-REWPJTCUSA-N 403.365 4.889 0 1 HJAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br 587614056 QZIFBTWJOQPUBX-BBRMVZONSA-N 418.268 4.623 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1 587754837 NCYHHQHAIALTQD-BUXKBTBVSA-N 400.295 4.612 0 1 HJAF CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757971 VVIBREQIJNDXGN-BUXKBTBVSA-N 415.347 4.643 0 1 HJAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587767883 ZCHWQWAHLRJQED-ZSEKCTLFSA-N 414.322 4.880 0 1 HJAF CCOP(=O)(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC 587849237 KPBCBYMAHKXVLS-MEDUHNTESA-N 408.248 4.604 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@]3(C)O 1772615920 DOODORFUSFESHY-VSVJQJLOSA-N 420.634 4.956 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 2356469862 DJEKAWTVCYHDKU-OFVILXPXSA-N 422.477 4.672 0 1 HJAF O=C(NC1CCN(CC2CCCCCC2)CC1)[C@@](O)(c1ccccc1)C1CCCC1 13835836 OJFDFZDJBGCLLL-AREMUKBSSA-N 412.618 4.615 0 1 HJAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3ccc(-c4nnn[nH]4)nc23)cc1 28012207 RLUZFDUUXQPYEI-DTQAZKPQSA-N 412.497 4.800 0 1 HJAF CC(=O)N(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 28119317 RMWMPXWLDCTYLQ-RUZDIDTESA-N 413.521 4.663 0 1 HJAF CCCCCCC(=O)N1[C@@H](c2cccs2)[C@@H](C(=O)O)C[C@@]1(CC(C)C)C(=O)O 28133328 GWBIFQYYLDUJAF-KLHJMIIUSA-N 409.548 4.562 0 1 HJAF O=C(c1nc(-c2c[nH]c3cc(Br)ccc23)c[nH]1)c1c[nH]c2c1CCC=C2 28528467 JBAPNYOAPKFPKK-UHFFFAOYSA-N 407.271 4.839 0 1 HJAF biogenic Cc1cc(C)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28564140 NLYIUTJPLREHCA-UHFFFAOYSA-N 401.426 4.748 0 1 HJAF C[C@@H]1Oc2c(c(O)c3c(c2[C@H](CC(=O)O)c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C 31158012 CEJSYHIZUAMEQV-GRDNDAEWSA-N 422.477 4.783 0 1 HJAF biogenic Cc1ccccc1C(C)(C)C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F 34633686 ZREYWBOITVVPOZ-JOCHJYFZSA-N 403.444 4.971 0 1 HJAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)c2ccccc12)c1ccccc1 36184924 WLKYPFNFQJMVGH-UHFFFAOYSA-N 402.475 4.893 0 1 HJAF in-vivo CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)Cc5ccccc5)CC[C@@H]4[C@H]3CC[C@@H]12 36189601 PIZOWAHAZOYXFC-AJARFYLLSA-N 422.613 4.877 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 36215853 HPFQTJINQTUEHG-IRLDBZIGSA-N 418.537 4.888 0 1 HJAF CCO[P@](=O)(O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40395658 SGTDHRDPWCCRIU-UHFFFAOYSA-N 416.439 4.972 0 1 HJAF Cc1ccc2c(Cl)c(CN3CCN(C(=O)Nc4ccc(C)nc4)CC3)sc2c1 43068012 HZIHGBJPQIDDPB-UHFFFAOYSA-N 414.962 4.916 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45298407 RYPMTHMHTXUIIA-QKONGSNMSA-N 400.607 4.545 0 1 HJAF O=C(OCc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72181606 NFOSARGAZHQWJS-UHFFFAOYSA-N 414.465 4.801 0 1 HJAF COC(=O)CCCCCCCO[C@@H](Cn1cncn1)c1ccc(Cl)c(Cl)c1 98085597 JOGHNYZWQRSEFZ-SFHVURJKSA-N 414.333 4.856 0 1 HJAF C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC/C(C)=C/CC1 101047925 FMTBRQQRKOQJRA-UFUGVJMCSA-N 412.549 4.572 0 1 HJAF C=CC(=O)Nc1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1 114407180 SIHPKLUMSSJTTA-UHFFFAOYSA-N 410.275 4.851 0 1 HJAF CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC3(CC2)OCc2ccccc23)C1 139002485 IWGVYAXRIXYRGP-UHFFFAOYSA-N 420.944 4.949 0 1 HJAF O[C@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1 169305907 LFNIKHHUYFVLKL-MOLJUIEMSA-N 405.582 4.756 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 169714348 WPCJRHBBURTUND-AWRJMTQMSA-N 400.607 4.904 0 1 HJAF O=C1c2cc(Nc3ccc(C(F)(F)F)cc3)ccc2OCCN1Cc1ccccn1 206188574 MSJHOYHACHYZIY-UHFFFAOYSA-N 413.399 4.879 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CCC4)cc3)C2)cc1 219219319 QUUJUPNQYDYUTO-MHECFPHRSA-N 408.542 4.515 0 1 HJAF CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1NCCc2ccccc21 473128631 DHJUHRDHIMROAQ-HAFLYIAKSA-N 420.597 4.926 0 1 HJAF CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1NCCc2ccccc21 473128634 DHJUHRDHIMROAQ-YNGFEMSNSA-N 420.597 4.926 0 1 HJAF Fc1c(F)c(F)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1F 586999347 XZXVXTNWCRCBDE-UPHRSURJSA-N 415.140 4.781 0 1 HJAF COc1cncc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 587005532 YLNVLEWIRHZXFI-UHFFFAOYSA-N 414.101 4.541 0 1 HJAF Ic1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023806 PIVUIIKKWNMZSA-UHFFFAOYSA-N 403.248 4.958 0 1 HJAF CCOC(=O)[C@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347026 KNTSGBTVHSWEAG-WMZHIEFXSA-N 400.446 4.628 0 1 HJAF Cc1nc2sccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376911 YUWQUKPSUWYWGF-AVRDEDQJSA-N 408.454 4.823 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O 587417842 FDZINNRCVOJMMC-WUMKDDEVSA-N 406.865 4.725 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccc(F)cc5)sc41)[C@@H](C2)C3=O 587428527 NUNZVCRYIYRCQO-HJPURHCSSA-N 407.466 4.937 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3cccnc3)c1)CC2=O 587472135 XLMDCGPRQVMOKQ-RUZDIDTESA-N 416.477 4.873 0 1 HJAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br 587539474 IPSVACSCYRKGKE-PXNSSMCTSA-N 412.239 4.561 0 1 HJAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1Cl 587547480 SYCJOGVUASPJJS-JTSKRJEESA-N 411.841 4.513 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc3c(cc12)CCC3 587609213 MYOHYBCFSPBPPA-ZEQKJWHPSA-N 414.457 4.911 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1 587734397 RFHBGYFGYGCMKP-FVINQWEUSA-N 420.253 4.631 0 1 HJAF CCn1ccnc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587751625 AARQREONYWGSMB-SPLOXXLWSA-N 414.322 4.631 0 1 HJAF COc1cc(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O 587806195 IQCFJPWTJNBKAB-JMNVGHDGSA-N 422.294 4.600 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)cnn1CC 587856896 OMZAWMJZRGHREL-UHFFFAOYSA-N 413.692 4.814 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccs3)nc2)N1 587857031 ZGHKHOFWNWUGLV-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF COc1ccc(-c2ccc(-c3nc4cc(OC)c(OC)cc4[nH]3)c(O)c2)cc1OC 587927013 MQPWIHHJJRCTPM-UHFFFAOYSA-N 406.438 4.637 0 1 HJAF O=C(Nc1ccccc1O)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1 653837595 DOUNWLAAWUJBEQ-FQEVSTJZSA-N 406.869 4.646 0 1 HJAF COc1ccc(F)cc1[C@@]1(CCC(=O)O)NCCc2cccc(-c3ccccc3)c21 962668738 XQJZRFUFZWJNPN-RUZDIDTESA-N 405.469 4.755 0 1 HJAF CC[C@@]1(c2ccc(C(=O)O)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963536 ZCGYMNVVEKQRGF-QFIPXVFZSA-N 419.443 4.709 0 1 HJAF FC(F)COC[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 963002550 BZQLBZRJTQERBP-QFIPXVFZSA-N 400.494 4.727 0 1 HJAF NC(=S)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)c2scnc2c1 1857601485 DFGXMPVFSFIDES-UHFFFAOYSA-N 417.506 4.700 0 1 HJAF CNC(=N)Nc1nccc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)n1 1857645541 WATZDUQTKUWJBF-UHFFFAOYSA-N 400.511 4.809 0 1 HJAF COc1cc([C@H]2CC[C@H]3[C@@H]2CC[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356640651 LBLYRBKCMMKANA-XMTFNYHQSA-N 414.498 4.820 0 1 HJAF CC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12 2356674462 JGIOAWQQJOEUOP-LIPSWNLFSA-N 416.514 4.955 0 1 HJAF Cc1cc(=O)c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(S(C)(=O)=O)cc2)o1 588139 QXJHSRWDYCYSRO-UHFFFAOYSA-N 409.290 4.993 0 1 HJAF CC(C)(CCCOc1ccc(OCCCC(C)(C)C(=O)O)c(Cl)c1)C(=O)O 25980393 HLXIBHVZODFAKF-UHFFFAOYSA-N 400.899 4.880 0 1 HJAF CNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1 36144123 MPABKDRFTWVLMC-UHFFFAOYSA-N 407.326 4.526 0 1 HJAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)c1 104036523 QHELIXVMCCHTPG-NRFANRHFSA-N 402.454 4.634 0 1 HJAF Cc1nc(C(F)(F)F)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)[nH]1 142571699 SLBIPTFGFMMHEE-UHFFFAOYSA-N 424.426 4.824 0 1 HJAF CCc1ccc(COc2ccc(C3CN(C(=O)c4ncccc4C)C3)cc2OC)cc1 143579275 PNZAAODOFRIDJF-UHFFFAOYSA-N 416.521 4.780 0 1 HJAF CCOc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729855 VJHNXBIMUUPOLB-NHCUHLMSSA-N 414.889 4.748 0 1 HJAF Fc1ccc(F)c([C@H]2C[C@H](c3cccc(Br)c3)N=C3N=NNN32)c1F 473248722 QEMTVNZVVIVARX-CHWSQXEVSA-N 410.197 4.596 0 1 HJAF Cc1cc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586958919 IZGNVZNUNKZTKM-UIFIKXQLSA-N 409.555 4.874 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4ccc5nc(C)ccc5c4[nH]3)n2C)cc1 586964893 BETOBWAVUCBLKI-UHFFFAOYSA-N 400.511 4.816 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4ccc(OC(F)(F)F)cc4[nH]3)n2C)cc1 586965803 RKRISWZCICVDMW-UHFFFAOYSA-N 419.432 4.858 0 1 HJAF COc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)ccc1Br 586975729 FBHMGRVQJSTGHX-HWKANZROSA-N 409.081 4.662 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cc(Br)ccn3)nc3ccc(O)c1c23 586984419 MHBUEQGBVUYCPS-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4ncc(Cl)cc4[nH]3)cc2cc1Br 586998985 RDAOZTKUECJGNZ-UHFFFAOYSA-N 420.650 4.546 0 1 HJAF Cc1c(Br)ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587014287 OHKVTQSFHAIKNK-UHFFFAOYSA-N 423.336 4.782 0 1 HJAF CCc1cc(OCc2nc3cccc(I)c3[nH]2)ccc1Cl 587052445 AECRQHCIUAGYTC-UHFFFAOYSA-N 412.658 4.962 0 1 HJAF Cc1ccc2c(ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c32)n1 587117154 ALLBILBJSJDJFN-UHFFFAOYSA-N 424.224 4.640 0 1 HJAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 587141515 RNDYOJCNNZFQCF-QGZVFWFLSA-N 413.877 4.560 0 1 HJAF C[C@@H](CSc1ccc(F)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587170137 JLEWKGPRNFROJO-ZDUSSCGKSA-N 409.490 4.657 0 1 HJAF CC(C)Oc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br 587171610 QAGDYZPLMKSUCR-UHFFFAOYSA-N 421.266 4.709 0 1 HJAF CC[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1cc(I)c(C)n1 587186083 ZSDDTKBMSNBYBD-MRXNPFEDSA-N 422.314 4.969 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587446291 BONMJFJWWDDISU-ZXKWBQDJSA-N 414.457 4.575 0 1 HJAF COc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587498862 JGTBQYYEEMVWNF-QGZVFWFLSA-N 403.272 4.749 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)C34CC5CC(CC(C5)C3)C4)c2c1 587648931 CYAAZRTZKULXGU-UHFFFAOYSA-N 407.482 4.908 0 1 HJAF CCCCN(CCCC)c1ccc(-c2nn(C(=N)O)c(=O)c3ccccc23)c(O)c1 587659965 AGEYJKWVBBOGSE-UHFFFAOYSA-N 408.502 4.517 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1 587712017 ZHORCQORTXANQO-RDGWCUKFSA-N 408.233 4.639 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2cccn2)N1 587719132 KPDOKGFAZNKTDL-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587721173 WEJMZENAHDSIQA-FVMDXXJSSA-N 416.237 4.822 0 1 HJAF Cc1ccc([C@]2(c3ncccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587774139 LQKAMOMEIJCIAN-SZNDQCEHSA-N 412.306 4.513 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587790627 IVTDHJFGPPQYNC-CFMSYZGJSA-N 423.326 4.508 0 1 HJAF COCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587791318 HIXULYDKMXWLKZ-XCLFUZPHSA-N 408.311 4.627 0 1 HJAF CCOC(=O)[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798952 QHDCNKJNWRRFNE-SPLOXXLWSA-N 420.322 4.514 0 1 HJAF CCOc1c(OC)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587803593 XPCJCAWZFAYOIQ-WLRWDXFRSA-N 424.310 4.628 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccn3)s2)N1 587852215 FELGNMCDEFFAPG-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF COC(=O)c1cc2nc(Cc3cccc(OC)c3)[nH]c2c(F)c1Nc1ccccc1 587932517 UYPIQPGSPPGIFP-UHFFFAOYSA-N 405.429 4.832 0 1 HJAF COc1ccccc1COc1ccccc1-c1ccn([C@H]2CCCC[C@@H]2O)c(=O)c1 653697845 ULXMJVMSIZYPGW-VXKWHMMOSA-N 405.494 4.579 0 1 HJAF COC(=O)C[C@@H]1CCCCC[C@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962629992 DAPZBRHLJXJFRI-CAKYRVLISA-N 418.581 4.772 0 1 HJAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(F)cc1Br 962641503 SOUJAUKJTMEMMA-JEOXALJRSA-N 424.310 4.580 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(c1cc(F)c(F)c(F)c1)c1ncco1 963289698 QXFLPVGUTKSDPZ-LJQANCHMSA-N 423.232 4.634 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21c2ccccc2C(=O)[C@H]1c1ccccc1C 963632069 FIVUJFUFWCSPSR-ZUIZJCIVSA-N 413.517 4.770 0 1 HJAF C[C@]1(C(=O)NCc2cccs2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61906357 NNFYTKMNWNUKIQ-HXUWFJFHSA-N 418.440 4.839 0 3 HJAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCCOC)cc1 2481082 GTYMBKYTFQYFSG-UHFFFAOYSA-N 414.889 4.827 0 1 HJAF CC(C)(C)c1cc(/C=C2\CCN(c3cccnc3)S2(=O)=O)cc(C(C)(C)C)c1O 13558273 SXYAAQMHWCZBCC-LDADJPATSA-N 414.571 4.963 0 1 HJAF COc1ccc(CNC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1 29131176 BFVNHKDXWONWHN-UHFFFAOYSA-N 413.477 4.959 0 1 HJAF CC(C)=CCc1cc([C@H]2Oc3cc(CC=C(C)C)c(O)cc3C(=O)[C@H]2O)ccc1O 33831732 YJRGJZBUUOQBFV-JWQCQUIFSA-N 408.494 4.793 0 1 HJAF biogenic CC(C)COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40864348 JQQHQEJEJXHNBD-JSRUGDOASA-N 406.607 4.568 0 1 HJAF CCCCNc1nc(NCCCN(C)c2ccccc2)nc2cc(OC)c(OC)cc12 82137385 BRHDGFAUPKTEMQ-UHFFFAOYSA-N 423.561 4.797 0 1 HJAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)NCCc2cccc(F)c2)c1 82146119 VZRPXAYVKCRSTQ-UHFFFAOYSA-N 418.516 4.918 0 1 HJAF CC1(C)Oc2cc3c(cc2O1)[C@@H]1c2cccc(OCc4ccccc4)c2OC[C@]1(O)C3 82154052 JVHGVVAQMJQGKG-JYFHCDHNSA-N 416.473 4.584 0 1 HJAF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95573753 YVHUHENKBGLDRJ-GOSISDBHSA-N 424.888 4.808 0 1 HJAF CCC[C@@H](Nc1cncc(-c2ccc(CN3CCOCC3)cc2)n1)c1ccccc1 140994882 NKIQFKYVHQJQJY-HSZRJFAPSA-N 402.542 4.929 0 1 HJAF CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 143242923 ORPKPZDNOLOFDR-OAQYLSRUSA-N 418.497 4.645 0 1 HJAF O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1csc2ccccc12 147557184 BITADASRDXUYOE-UHFFFAOYSA-N 403.912 4.779 0 1 HJAF CCC(CC)N(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169301134 IPRXHMGTIKEHQX-YUAPZMEHSA-N 402.623 4.865 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc5ccccc5c4)ncc23)ccn1 205447326 WHSRIFYZUGJDGG-UHFFFAOYSA-N 408.465 4.803 0 1 HJAF COC1CCC2(CCc3ccc(-c4cncc(Cl)c4)cc3[C@]23N=C(C)C(N)=N3)CC1 211023973 PPPNFACLMPPXHQ-VZYOYLOZSA-N 422.960 4.908 0 1 HJAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](N(C)C)CC[C@@]45C[C@@]35C=C[C@]12C 255284797 YNGZPMBCHZYUHN-SQQIZIQKSA-N 414.678 4.710 0 1 HJAF Cc1cc2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2c(C)n1 586947625 WPKOHBMNMFTWIG-UHFFFAOYSA-N 406.511 4.659 0 1 HJAF Cc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 586968777 QMBAVLYQZMWVGP-HZPDHXFCSA-N 419.554 4.720 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)OCCO3 587035597 WGMVUNCTQYFGKE-AWEZNQCLSA-N 407.495 4.820 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4nc(Cl)c[nH]c-4n3)c(Cl)cc12 587077810 AENRNROROYDFNM-SECBINFHSA-N 419.268 4.810 0 1 HJAF FC(F)(F)Oc1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 587090713 WFAPXMSDMZYMPQ-UHFFFAOYSA-N 408.124 4.759 0 1 HJAF O=S(=O)(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094550 BMXGUEPMSXMCCR-UHFFFAOYSA-N 410.295 4.514 0 1 HJAF Cc1nc2ccccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339969 RLCDVXPPRHJXCR-QPPBQGQZSA-N 402.425 4.762 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376787 UAFRFJDLYFEMTG-HXUWFJFHSA-N 408.281 4.698 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1cccc(Cl)c1)[C@@H](C2)C3=O 587418394 GZKPOGLNWAYYCG-KKSFZXQISA-N 410.857 4.672 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccccc2OC)N2CCC1CC2 587485136 PTYCNVAXLCGYTJ-GVMLUORFSA-N 419.521 4.824 0 1 HJAF Cn1nc2ccc(Br)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497904 NAINLOOPLZHGCV-LJQANCHMSA-N 411.299 4.921 0 1 HJAF Cc1c(Br)cncc1CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500477 XBCLLOVDRUUPJU-MRXNPFEDSA-N 400.316 4.998 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)nccc21 587552297 PUYYOHITBGUBDK-GHTZIAJQSA-N 406.825 4.635 0 1 HJAF CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587575139 BEWZZUJBGWKCJY-QPPBQGQZSA-N 403.434 4.536 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586006 AOFZDWNBJIJLTO-CYFREDJKSA-N 421.449 4.727 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611660 IYPXOHGGEFVLAS-RXVVDRJESA-N 422.506 4.850 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614970 DYWJEMMYSPCAOF-PXDATVDWSA-N 418.445 4.819 0 1 HJAF CCOC(=O)C(C(=O)OCC)c1[nH]c2ccc([C@@H](C)CC)cc2c1CC(F)(F)F 587642094 OIVHPSSDRRQJHN-LBPRGKRZSA-N 413.436 4.996 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl 587651073 BFHGNTSPFOTFQO-UHFFFAOYSA-N 418.227 4.967 0 1 HJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C 587651704 YAAZQGCGHGNPIH-SFHVURJKSA-N 406.548 4.732 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587745407 WDSLSPONXGYAEJ-RNODOKPDSA-N 405.311 4.675 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncccn3)cc2)N1 587775410 QWLXJLFMVHEINF-BUXKBTBVSA-N 414.278 4.794 0 1 HJAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809516 UDEMRCRWPCLTQU-PRWKNARSSA-N 408.311 4.712 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc2c(c1)OCO2 587859554 ZPNPQKGXMSTJRI-UHFFFAOYSA-N 419.264 4.867 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@]12C(=O)c1c(C)cc(C)cc1CC2(C)C 961316820 CSRUBMFDMJNJCP-HHHXNRCGSA-N 421.581 4.867 0 1 HJAF COc1ccc2c(c1OC)[C@](Cc1ccccc1)(c1cc(F)ccc1N)N(C)[C@@H](C)C2 962561658 DMZYQXGDLUFGML-QLXKLKPCSA-N 420.528 4.788 0 1 HJAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1cc(OC)c2occ(C)c2c1 963195513 ZIADHZFVHDHWEI-QHCPKHFHSA-N 423.509 4.508 0 1 HJAF CN(C)CCNC(=O)c1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 1772622148 NSMASTYUTPEMEW-UHFFFAOYSA-N 423.601 4.825 0 1 HJAF CO[C@]12C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)[C@@H]4CC=C(C(=O)N1)[C@@H]32 1857580288 VQIAIGUFXCMWQU-HJECSGCHSA-N 413.602 4.757 0 1 HJAF COc1c(-c2cc(-c3ccc(C)o3)nc(O)n2)c(O)c(Br)c2occc12 1857593778 PXPLOIKVJWNTSE-UHFFFAOYSA-N 417.215 4.641 0 1 HJAF O=c1ccc(C=Cc2ccc(Cl)cc2)c2n1C[C@H]1C[C@H]2CN(Cc2ccccn2)C1 2356825804 HTWPYCCROVRYEM-FPOVZHCZSA-N 417.940 4.686 0 1 HJAF Cc1ccccc1Cn1c(C)c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc1=O 61930773 DRODAFUJKKGDOL-UHFFFAOYSA-N 421.349 4.812 0 3 HJAF C[C@@H](CCN1CCC(CN2C(=S)NC[C@@H]2Cc2ccccc2)CC1)c1ccccc1 61936199 UMYBLLPNACKECR-OFVILXPXSA-N 421.654 4.694 0 3 HJAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1 206016191 VUFUHESEFOBMRA-QFIPXVFZSA-N 404.982 4.839 0 3 HJAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 773685 JVECRINMSRQSHE-UHFFFAOYSA-N 420.843 4.689 0 1 HJAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOc1ccccc1 2483430 AAUXPAFIWKQMQE-UHFFFAOYSA-N 408.498 4.847 0 1 HJAF CCCCNc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794747 CUWAJJBGBREZMA-UHFFFAOYSA-N 403.328 4.617 0 1 HJAF CC(=O)c1ccc(Sc2ccc(Cl)cc2NCCCN2CCN(C)CC2)cc1 22938705 DEBKGHKSPXWSCE-UHFFFAOYSA-N 418.006 4.743 0 1 HJAF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCOCCOCCO)c1ccc(O)cc1 29320226 ZVUVBKSSMGETRB-RPBOFIJWSA-N 416.558 4.745 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 34801454 HNCAMNUTTBOMFY-MNLGXKRNSA-N 402.623 4.725 0 1 HJAF Nc1cccc(Cn2c(-c3ccccc3)ccc2-c2ccc(C(=O)NC3CC3)cc2)n1 35826876 WMHJMUMMYDAGHE-UHFFFAOYSA-N 408.505 4.740 0 1 HJAF CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(C)cc2)[nH]c1=O 72176772 YOAKYLKZORTYJU-UHFFFAOYSA-N 405.567 4.886 0 1 HJAF O=C(NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1)c1ccccc1 72185357 ZQNRPAKMOUNOON-QHCPKHFHSA-N 405.929 4.719 0 1 HJAF CCOc1ccccc1-c1nc(CN(Cc2ccccn2)Cc2ccccn2)co1 72186586 YVYYNXHJLVXPDF-UHFFFAOYSA-N 400.482 4.733 0 1 HJAF c1ccc(-c2nnc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)s2)cc1 95567015 HYDDVFWRFOLWJZ-UHFFFAOYSA-N 409.478 4.863 0 1 HJAF CCC/C=C/CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 96914325 LDBPDNDFCXVQGQ-QWNKOJSDSA-N 423.332 4.738 0 1 HJAF CC(C)(C)[C@H](NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1 143939445 APFGBBFAQCAZHR-CQSZACIVSA-N 413.465 4.874 0 1 HJAF C[C@H]1c2nnn(-c3ccc(F)cc3)c2C[C@@H](C)N1C(=O)c1cccc(Cl)c1Cl 218497329 KMURBPZFLYXUNM-NEPJUHHUSA-N 419.287 4.861 0 1 HJAF COC(=O)c1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c(F)c1Nc1ccccc1 586886503 QCIYGVODHOEEQB-ILXRZTDVSA-N 419.456 4.871 0 1 HJAF O[C@H]1C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586900137 AEJWYDKDJLVPQM-RISCZKNCSA-N 413.193 4.793 0 1 HJAF Brc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br 586918998 VTPJCXIKETVFCP-AWEZNQCLSA-N 410.065 4.600 0 1 HJAF FC(F)(F)c1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969881 PQAMXTLFWLWEQG-UHFFFAOYSA-N 420.372 4.653 0 1 HJAF CCOc1cc(/C=C\c2nc3ccc(Cl)nc3[nH]2)cc(Br)c1OC 586977281 DWXYFLPXKYGSNJ-DAXSKMNVSA-N 408.683 4.952 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587065750 YIIRKJNTCCOALA-UHFFFAOYSA-N 402.731 4.774 0 1 HJAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1 587145940 WHBTXIXXTLBADD-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)ccnc3[nH]2)c1C 587165710 KAQAPSKYBDIZLL-UHFFFAOYSA-N 406.461 4.602 0 1 HJAF CCc1ccccc1NC(=O)c1nc2c(Br)ccc(Br)c2[nH]1 587241313 TVOPYYDDTVFRIR-UHFFFAOYSA-N 423.108 4.903 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353439 ZHNWPLOLWTXXIV-ILBGXUMGSA-N 420.436 4.739 0 1 HJAF CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587448073 BJFWBLQNDZLEDU-UZUQRXQVSA-N 404.418 4.621 0 1 HJAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528476 ZVFLZTFXQDTFOO-NRFANRHFSA-N 419.477 4.939 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cn1 587550881 CQXRBNWTCHPDNV-REWPJTCUSA-N 418.836 4.934 0 1 HJAF COc1ccc(OC)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600652 OVLISCYAOGVXJY-RDGATRHJSA-N 418.445 4.603 0 1 HJAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1c(Cl)ccc(F)c1Cl 587637603 LNNUOXBLDNWHEF-UHFFFAOYSA-N 424.211 4.720 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O 587691999 JGZNRPYZQGZROV-RBHXEPJQSA-N 400.675 4.579 0 1 HJAF CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706495 QMCYZPZPTBSBPU-QFYYESIMSA-N 410.249 4.885 0 1 HJAF CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587712918 ANJBDIFQADHICF-GIGQVBGESA-N 410.258 4.613 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3F)CC2)N1 587724976 AYHTWUYJQPTZJX-CYBMUJFWSA-N 407.302 4.757 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587731096 JWLYPLSHOSQAFR-WVDJIFEKSA-N 403.270 4.933 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3)n2C)N1 587753122 HZYLWIZCHYYSKO-BLVKFPJESA-N 400.295 4.612 0 1 HJAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807758 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CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 2356400199 SUUABGCZKXRNFT-LOSJGSFVSA-N 424.493 4.847 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@H](N)C2 2356851517 SHKSOHJKHSOZCN-GPZQMVROSA-N 412.642 4.910 0 1 HJAF CC(C)NC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCc2ccccc2C1 747042 GQEFLYNVDTWNKF-UHFFFAOYSA-N 419.550 4.701 0 1 HJAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OCC(C)C)cc2)c1C 13782422 LMIVZHGYWWZPOD-UHFFFAOYSA-N 400.500 4.794 0 1 HJAF CCCCc1ncc(/C=C(\Cc2ccccc2)C(=O)O)n1Cc1ccc(C(=O)O)cc1 13831931 VLBBQCBAKZVIIV-RCCKNPSSSA-N 418.493 4.683 0 1 HJAF CCCC(=O)c1c(O)c2c(c3c([C@@H](CC)OC(C)=O)cc(=O)oc13)OC(C)(C)C=C2 14586137 UUKLCYMJFOQPCS-MRXNPFEDSA-N 414.454 4.680 0 1 HJAF biogenic c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1 17192019 DDSMNKYRACJCFU-BKKFENPESA-N 402.490 4.828 0 1 HJAF COc1ccc(Nc2nc(Nc3ccc4[nH]cnc4c3)ncc2C(F)(F)F)cc1 28522982 VMXUAXSUFHWVMR-UHFFFAOYSA-N 400.364 4.868 0 1 HJAF C[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(O)c2ccc(O)cc12 29040494 WAHHWDHVECYZHQ-LBPRGKRZSA-N 405.372 4.683 0 1 HJAF Cc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccccc2)[nH]c1=O 29058270 WCPBYTFLCOOVFA-UHFFFAOYSA-N 400.503 4.797 0 1 HJAF COc1cc2c(cc1OC)CN(CCCC1=CCCc3cc(OC)c(OC)cc31)CC2 29059875 BVIGBAHRVHMUBL-UHFFFAOYSA-N 423.553 4.889 0 1 HJAF Cc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(Br)cc3)n2C)cc1 29125085 WPMIAJFSOYINPM-ZBJSNUHESA-N 416.344 4.571 0 1 HJAF COc1cccc2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2 36248226 BKJSIAOCAXHNFA-FQEVSTJZSA-N 408.517 4.964 0 1 HJAF CN(C)CCn1c(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc2cc(O)ccc21 40915576 MFPLPJFBWLIGND-UHFFFAOYSA-N 412.493 4.824 0 1 HJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(O[C@@H](C)C(F)(F)F)nncc2c1 40956459 XANMCBRIKIVXBI-ZDUSSCGKSA-N 415.415 4.827 0 1 HJAF Cc1ccc(N(C)c2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1 43013545 YSGYFZBBGKJFAX-UHFFFAOYSA-N 421.444 4.642 0 1 HJAF Cc1ccc(C(=O)c2nc3ccccc3n2-c2cccc(OC(C)(C)C(=O)O)c2)cc1 71318178 IAPSBVDAXGRSQS-UHFFFAOYSA-N 414.461 4.807 0 1 HJAF COc1ccc([C@H](C)Nc2ccc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2)cc1 72173024 BLKFRQPKQRIEIZ-KRWDZBQOSA-N 415.497 4.828 0 1 HJAF CCN(CC)c1cc(Nc2ccc(OC)c(F)c2)nc(Nc2ccc(OC)cc2)n1 73196819 ZQXLPEBZDWEDJB-UHFFFAOYSA-N 411.481 4.966 0 1 HJAF COC(=O)[C@@]1(Cc2c[nH]c3ccccc23)C[C@H]2COc3ccc4ccccc4c3[C@H]2N1 73197737 SJGYRYCYVMOBGX-ZNCVFPSASA-N 412.489 4.519 0 1 HJAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc(C)c2)C1 82145616 HMSHOIISBHXGIN-OALUTQOASA-N 410.562 4.551 0 1 HJAF Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl 118397374 WSXROYCURUCMMP-SFHVURJKSA-N 412.839 4.880 0 1 HJAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CC3(F)F)c12 169708386 CPJIRVFQLCYFMG-VIFPVBQESA-N 409.389 4.615 0 1 HJAF CN1CC[C@H](Oc2cc(NC(=O)Nc3ccccc3Br)ccc2Cl)C1 206811027 GLYHCUWPMMYJOS-ZDUSSCGKSA-N 424.726 4.829 0 1 HJAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21 223438641 KNHLUQAURZOTFL-UHFFFAOYSA-N 405.885 4.834 0 1 HJAF O[C@@H]1C[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 586904434 TYWRIOPORHOLDU-IINYFYTJSA-N 413.193 4.793 0 1 HJAF CC(C)Oc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br 586927831 XWBOMEPMPIYXAY-HJWRWDBZSA-N 421.316 4.557 0 1 HJAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C 586933445 RVYJWEBECNNRTQ-CQSZACIVSA-N 411.877 4.652 0 1 HJAF O=C1COc2cc3[nH]c(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)nc3cc2N1 587015027 CHQFOVXAGYDMPA-UHFFFAOYSA-N 417.277 4.991 0 1 HJAF Cc1onc(-c2nc3cnc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 587076908 ZWXMWLXQPIIDAZ-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF Cc1cc(C)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 587167304 LZWGZFVXGJSNRD-UHFFFAOYSA-N 401.488 4.848 0 1 HJAF CC(=O)NC1(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CCC(C)CC1 587233749 CAMVJXUWJQGBFA-UHFFFAOYSA-N 408.340 4.654 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587235051 DJUXRRXYAHUBQK-VQIMIIECSA-N 421.545 4.945 0 1 HJAF C[C@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377526 RZFPBVAOWPENAX-AVRDEDQJSA-N 412.438 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn3c4ccccc4n(C)c13)CC2=O 587483238 LNBJECQZBYRQTN-XMMPIXPASA-N 403.482 4.673 0 1 HJAF C[C@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554764 JFHJOLCRFZGTLO-YLJYHZDGSA-N 401.340 4.683 0 1 HJAF CC(C)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587595044 ODTHZNBQQPMLLA-RDGATRHJSA-N 401.462 4.866 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2cccs2)CC1 587610501 GHANZUPCSBGLGN-ZJSXRUAMSA-N 421.518 4.696 0 1 HJAF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621887 NUVVLIABCAZWGS-UHFFFAOYSA-N 418.678 4.843 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2)N1 587715026 QWUPYYQGHSHHQP-FVMDXXJSSA-N 403.217 4.800 0 1 HJAF CCOc1ccccc1-c1cccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587779964 KLZLOWCADXRGFK-UHFFFAOYSA-N 421.522 4.546 0 1 HJAF COC(=O)CCCC[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805120 GSQUNFHLBWSRNC-QUJCMNEKSA-N 400.332 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCc3ccccc3C2=O)N1 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Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)NC3CCCCCC3)sc2n1 2452527 CQXJGLPJIFNMTM-UHFFFAOYSA-N 400.592 4.997 0 1 HJAF C[C@H]1[C@@H]2NC(=O)N(CCc3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12 2461907 MTQWBMXRNYRODV-GMVOTWDCSA-N 401.304 4.503 0 1 HJAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)c1 2483521 LXNSMICMAYXECT-UHFFFAOYSA-N 408.498 4.847 0 1 HJAF CO[C@]1(C)C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1 13730562 BRJDYUXCQJFARR-MSYCTHLASA-N 410.539 4.738 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)c1ccccc1 36425348 PDELKAVIWUKKPJ-QFIPXVFZSA-N 416.525 4.569 0 1 HJAF CC(C)N(CC[C@](CCN(C)C1CCCCC1)(C(N)=O)c1ccccc1F)C(C)C 39254153 YHZDSEXETFENEN-VWLOTQADSA-N 419.629 4.712 0 1 HJAF CCCCCCSc1cc(C)c(C(=O)CCN2CCN(C(C)=O)CC2)c(C)c1 43013439 UPGFCUFIYJPICS-UHFFFAOYSA-N 404.620 4.713 0 1 HJAF Nc1ccc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]2c2cccc(O)c2)cc1 49808053 ZHWJPDULTKWIKS-QHCPKHFHSA-N 417.896 4.897 0 1 HJAF CC(C)Cc1sc(N)nc1-c1ccc([P@]2(=O)OCC[C@H](c3ccncc3)O2)o1 66101948 YDSBZEUFNUCORX-ASHKIFAZSA-N 419.443 4.575 0 1 HJAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCc2cc(-c3cccnc3)ccc21 299829924 VUMBFGUTYUKFRK-UHFFFAOYSA-N 418.440 4.909 0 1 HJAF CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cncnc1)c1ccc(-c2ccccc2)cc1 299857816 DBHOJBZLKPYDKH-URPHZZJISA-N 414.553 4.654 0 1 HJAF CC(C)CCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br 586961006 ZKVLQYYATGGDRX-UHFFFAOYSA-N 415.353 4.847 0 1 HJAF Cc1cnc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 586967892 HTOSQFFMHVUPJS-UHFFFAOYSA-N 411.918 4.578 0 1 HJAF CCOc1cc(/C=C/c2nc3ccc(Cl)nc3[nH]2)cc(Br)c1OC 586977282 DWXYFLPXKYGSNJ-QPJJXVBHSA-N 408.683 4.952 0 1 HJAF Fc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1Br 587005647 OFEPWWCRYUHMEQ-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF Clc1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040361 HJNNMWGMDBOKBP-LSDHHAIUSA-N 408.752 4.925 0 1 HJAF CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333332 CPNSAVNSLQGVKQ-ONEPIBKASA-N 409.501 4.769 0 1 HJAF Cn1ccnc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343091 RPLJTOAKCRFBIZ-QVJSAIJNSA-N 406.457 4.720 0 1 HJAF COC(=O)c1cccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587400579 RATFGMWLZKIZJL-QHCPKHFHSA-N 417.461 4.649 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(Br)c1)[C@@H](C2)C3=O 587424112 XJQKPOFUNGYHDO-APPDUMDISA-N 411.198 4.548 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1-c1ccccc1)[C@@H](C2)C3=O 587443239 MICHYHBOUIGCEA-DFBJGRDBSA-N 402.446 4.868 0 1 HJAF COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443313 ODZFBNUBVPWVLW-RLWLMLJZSA-N 414.457 4.568 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O 587446817 GIDRCAQODGKGLH-OWAUWMPXSA-N 406.478 4.558 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(I)c1)CC2=O 587470178 FECFMJCBYVJHLK-LJQANCHMSA-N 422.262 4.830 0 1 HJAF COc1cc(Cl)ccc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498277 DUJXRVOEGLEWIU-QHCPKHFHSA-N 413.901 4.980 0 1 HJAF C[C@@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516177 ZFLQWVPHCPXQDH-SANMLTNESA-N 419.521 4.747 0 1 HJAF CCOC(=O)c1c(-c2cnccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628218 PJVOMWOXEDYLKJ-UHFFFAOYSA-N 403.282 4.839 0 1 HJAF CC1CCN(CCc2c(-c3ccc(F)cc3)[nH]c3ccc(S(C)(=O)=O)cc23)CC1 587649320 HKTHLPNNZYUCMR-UHFFFAOYSA-N 414.546 4.652 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587737417 ZSNZXPBPESJRCP-CFMSYZGJSA-N 403.270 4.933 0 1 HJAF CCn1c(=O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21 587766587 GLBWTCYISVCQNB-YUNKPMOVSA-N 415.306 4.547 0 1 HJAF COc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1O 587786316 KBDOJSROZNBQKB-UHFFFAOYSA-N 403.154 4.605 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(NC(C)=O)cc1 587865227 XRGIMLCRPIGOSW-UHFFFAOYSA-N 417.387 4.615 0 1 HJAF c1ccc(-c2csc3ncnc(N4CCC(CNCc5ccccn5)CC4)c23)cc1 653686249 QMAOFELLBUSCPY-UHFFFAOYSA-N 415.566 4.760 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccc(Br)c(F)c1OC)N(C)[C@@H](C)C2 962642665 ZMAHFIQAMFSATN-BBATYDOGSA-N 424.310 4.580 0 1 HJAF COc1ccc2c(c1)[C@H](c1coc3cc(Br)ccc3c1=O)N[C@H]1CC[C@H]21 962994605 KZMLHESSVCPEAD-HEFCMCLBSA-N 412.283 4.503 0 1 HJAF CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@H]1NCCc2cc(Cl)ccc21 963381039 NZEVXARWBJWQMU-INIZCTEOSA-N 411.855 4.974 0 1 HJAF CCOC(=O)C[C@@H]1CCC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963830511 BMAMTGJNHHPJDV-SIBVEZHUSA-N 418.537 4.841 0 1 HJAF CCCCCCS(=O)(=O)c1ccc(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1Cl 1857611259 DDNLDCCXWKXEIV-ASSNKEHSSA-N 406.375 4.624 0 1 HJAF COC[C@H](CC=Cc1ccc(OC)c(OC)c1)[C@H](OC)c1ccc(OC)c(OC)c1 2356583288 POJZGFBYCGEYIF-YADARESESA-N 416.514 4.775 0 1 HJAF N[C@H](COCc1ccccc1)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 61904481 IELBBAVNQANEMI-MRXNPFEDSA-N 402.907 4.657 0 3 HJAF CC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 575224 DQMKFVKNNDMGTA-UHFFFAOYSA-N 417.908 4.996 0 1 HJAF COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC(C)C)c(OC)c1 776957 IMRDRFGGUALTQF-UHFFFAOYSA-N 400.862 4.817 0 1 HJAF CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccc(-c2ccccc2)cc1 26656608 OEBYYLYOQUNAQJ-WNLYKICVSA-N 410.602 4.553 0 1 HJAF COc1ccc(CC(=O)Nc2ccccc2-c2ccccc2NCCN(C)C)cc1 27721090 NUHCLZNLVDCWPK-UHFFFAOYSA-N 403.526 4.517 0 1 HJAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccc(F)cc1)CC2 36222067 YUWXDNRDMDDSJC-HJOGWXRNSA-N 424.535 4.987 0 1 HJAF Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 43019545 HTBNGWYZJOVYAG-HSZRJFAPSA-N 401.535 4.969 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1 82133601 RNLCFDFJFKQGQH-MRXNPFEDSA-N 408.933 4.980 0 1 HJAF Clc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)cc1 82184769 PMOXIVROHVNXMM-IBGZPJMESA-N 419.916 4.938 0 1 HJAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1 82195514 LLIORBCJCPSOSX-IBGZPJMESA-N 421.497 4.981 0 1 HJAF C[C@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ncnc(N)c23)cc1Cl 96168373 BXVJSQCJANGSPZ-QHCPKHFHSA-N 419.916 4.550 0 1 HJAF Cc1cc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc2ccccc12 96169025 NAWAFXUIJMKVJG-UHFFFAOYSA-N 403.526 4.880 0 1 HJAF CCOC(=O)c1oc2c(OCC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1 299852683 WELSKRKQGHXOST-UHFFFAOYSA-N 415.442 4.778 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)n2C)cc1 586965305 IHGBGYADXLIMGZ-UHFFFAOYSA-N 407.396 4.516 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cc(Br)ncc3O)nc3ccc(O)c1c23 586984968 CIBRAPJMFKZANB-UHFFFAOYSA-N 419.234 4.682 0 1 HJAF CCOC(=O)C(F)(F)[C@@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586992597 HSFGKLULUVTEIV-MRXNPFEDSA-N 407.416 4.983 0 1 HJAF Cc1c(Br)cnc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 587085251 OMNHBUAXQDUQAC-UHFFFAOYSA-N 400.667 4.806 0 1 HJAF CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 587407402 IDTNWCYALJNYBN-ODCWNRFASA-N 421.493 4.746 0 1 HJAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587553199 UHYCIQKQUURFSL-RXVVDRJESA-N 406.825 4.635 0 1 HJAF COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC 587696605 LLMSUGIVCTVKBV-VVVCHXIZSA-N 414.702 4.882 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762897 GROBBBUAKFQOHL-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc2c1 587933106 VAFPOBGOJMDIKI-UHFFFAOYSA-N 414.461 4.575 0 1 HJAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(F)cc1Br 962641534 SOUJAUKJTMEMMA-WLRWDXFRSA-N 424.310 4.580 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1sc(Nc2cccnc2)nc1C 963271875 WJMVCZKXOJSZON-HXUWFJFHSA-N 400.935 4.661 0 1 HJAF O=S1(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C(F)F)c2[C@@H](O)C1(F)F 1857636451 FPHUPMAOUFPYAY-CYBMUJFWSA-N 414.735 4.623 0 1 HJAF CCCCC1=C2CCC=C[C@]2([C@@H]2C3=C(CC[C@@H]2O)[C@H](CCCC)OC3=O)C(=O)O1 2356543365 ONKAUHUGMINWJT-RWTJRTBCSA-N 400.515 4.507 0 1 HJAF O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205229172 CTBAIBKGAKGNGQ-BMIGLBTASA-N 413.663 4.661 0 3 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215804 MGAOUKFKTFGKOJ-AIZKBTNYSA-N 418.578 4.622 0 1 HJAF COc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c(OC)c1 4265143 AYGHTCXPRYESOL-UHFFFAOYSA-N 415.449 4.655 0 1 HJAF aggregator Cc1nn(-c2ccccc2)c2c1[C@H](c1cc3ccccc3nc1Cl)NC(=S)N2 6521040 KBVJXKBUXYMZSF-SFHVURJKSA-N 405.914 4.772 0 1 HJAF Cc1cc(=O)c(Oc2ccc(Cl)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581213 GMFBOPYRPYUAME-UHFFFAOYSA-N 408.834 4.604 0 1 HJAF Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3ccc(F)cc3)ccc21 14958468 LINUPZIJRXVVPP-UHFFFAOYSA-N 404.470 4.802 0 1 HJAF Cc1ccc(-c2ccc(C[C@H]3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cc1 40564948 QXUIQDFKXNDNNX-OAQYLSRUSA-N 404.897 4.633 0 1 HJAF C[C@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 43062534 NYXNXOSWSITQDA-FQEVSTJZSA-N 412.599 4.555 0 1 HJAF Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC4CC4)ccc3n2C[C@@H](C)O)c1 66099828 KVBLKZMZGLZYPJ-GOSISDBHSA-N 404.554 4.862 0 1 HJAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccnc2)c1 101257754 SDPCJNOMLFSGHN-JOCHJYFZSA-N 419.481 4.546 0 1 HJAF O=C(O)[C@H](c1ccccc1)n1nc(Cc2cccc3ccccc23)c2ccccc2c1=O 139823020 VEJXCOIVBQLOOM-VWLOTQADSA-N 420.468 4.815 0 1 HJAF Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC(C)C)c1O 169351398 SEVOKEKAFIENJT-UHFFFAOYSA-N 400.471 4.866 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896631 GCBOQAMDPOOBHS-UHFFFAOYSA-N 421.522 4.633 0 1 HJAF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(N)ncc5[nH]4)c23)cc1 587037423 DSRAZFPYKTYATP-UHFFFAOYSA-N 404.524 4.813 0 1 HJAF Clc1ccc(-n2cccc2)cc1-c1nc2cc(I)cnc2[nH]1 587052791 MXGWPNZCJBKPBQ-UHFFFAOYSA-N 420.641 4.674 0 1 HJAF CC1(C)Cc2nc(O)ccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345947 KPFQXQQNWFZDHI-WIOPSUGQSA-N 419.452 4.859 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2cnoc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 587351204 ZFGHUYOXOWWZCH-ISKFKSNPSA-N 417.392 4.528 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCO4)(c1ccccc1Cl)[C@@H](C2)C3=O 587417325 BYJLQWZJFXWUOO-UQBPGWFLSA-N 418.876 4.975 0 1 HJAF CN(C)/C=C(\c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550765 YKGPHEHISHQMOY-JPARSPOBSA-N 421.880 4.979 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1Br 587569584 RIWWPDSVUMOAFO-XLIONFOSSA-N 415.214 4.997 0 1 HJAF CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587593896 FUHZHCAJJPEAKR-XUZZJYLKSA-N 406.434 4.893 0 1 HJAF Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587653416 HBBKZQHIZWGVDJ-UHFFFAOYSA-N 416.289 4.824 0 1 HJAF O=S(=O)(O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783942 JPBFKCXXLHITAB-MDWZMJQESA-N 406.463 4.559 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587795469 XKUYZHNDBNHBJW-XTZNXHDOSA-N 417.278 4.700 0 1 HJAF COc1cc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587806160 IJUIPGHISBHAQB-MPBGBICISA-N 408.311 4.685 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1 587829041 VOICOTRYXQPBQY-QKVFXAPYSA-N 418.306 4.791 0 1 HJAF O=C(N[C@H]1C=C[C@@]2(C1)NCCc1cc(-c3ccccc3)ccc12)OCc1ccccc1 962671445 SGQPYZOVHFGNNG-IGKIAQTJSA-N 410.517 4.950 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1)C(F)(F)F 962759565 CESGNJBAOQVFJR-IRLDBZIGSA-N 421.422 4.761 0 1 HJAF Nc1ccccc1-c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962964944 KCVIIUJEGGSUIO-WIYYLYMNSA-N 414.839 4.556 0 1 HJAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(N(CCO)C2CCCCC2)n1 1857596430 CCUBJOCYQZTYNE-UHFFFAOYSA-N 422.620 4.691 0 1 HJAF Cc1ccc(NC(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cc1Cl 1911572604 ZBXUUHPQYSCZPY-JOCHJYFZSA-N 405.970 4.931 0 1 HJAF C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1cccc2c1OCO2 61906164 FLQDSTDMBSICKM-RUZDIDTESA-N 416.477 4.811 0 3 HJAF Cc1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)c(C)c1 6522304 POPJAULQELMUPW-LJQANCHMSA-N 410.322 4.730 0 1 HJAF CN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](NC)c1c(Cl)cc(O)cc1Cl 28769463 UAYQMFONSIUOKJ-HOTGVXAUSA-N 410.128 4.933 0 1 HJAF COc1cc(Nc2nccc(N(C)c3cnc4ccccc4c3)n2)cc(OC)c1OC 71317026 NLRRRNUODSXMMS-UHFFFAOYSA-N 417.469 4.562 0 1 HJAF Cc1c(C(=O)c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 72181448 HFPYBVNKVSQDES-UHFFFAOYSA-N 409.438 4.912 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc(C)c1 82146806 UWFFSMUAHVXBID-SFHVURJKSA-N 418.541 4.644 0 1 HJAF O=C1CCCC2(CCN(c3nc4ccccc4[nH]3)CC2)N1Cc1cccc2[nH]ccc12 96173176 HOQZAIVCZMIJRG-UHFFFAOYSA-N 413.525 4.596 0 1 HJAF Cc1ccc(Nc2nc(NCc3ccnc(F)c3)nc(Nc3ccc(F)cc3)n2)cc1 117543461 DIKAZWZMXSCFHR-UHFFFAOYSA-N 419.439 4.953 0 1 HJAF NC(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl 144762678 NBUUYNZLQUAICS-HXUWFJFHSA-N 403.787 4.885 0 1 HJAF c1ccc(-c2cc(CNc3nccc(Nc4cc(C5CCCC5)[nH]n4)n3)on2)cc1 203008355 CMAQGLFHNAGBSI-UHFFFAOYSA-N 401.474 4.868 0 1 HJAF CC(=O)O[C@]1(C)CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H]2O1 238746180 DQDZRAFQWKGBTQ-CDYZTGKYSA-N 406.563 4.826 0 1 HJAF COc1ccc(-c2ccc(OCCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 299828197 HARWXJGHRDGQCU-UHFFFAOYSA-N 419.521 4.817 0 1 HJAF CCOc1ncc(CN2CCC(N(C)Cc3ccc(Cl)c(Cl)c3)CC2)s1 299854945 AQBMNTGSPSSMMX-UHFFFAOYSA-N 414.402 4.945 0 1 HJAF Cc1nc(Nc2cc(C3CC3)ccn2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 299860427 GQHCEFMDGMWZFB-OAQYLSRUSA-N 413.525 4.821 0 1 HJAF COC(=O)c1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2c(F)c1Nc1ccccc1 586962628 TUMCRLHCWMXYNS-GFCCVEGCSA-N 423.473 4.876 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587138075 VHHOUDWVYGRHOP-UHFFFAOYSA-N 424.701 4.617 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCCN2)[C@@H]1c1ccc(F)cc1 587345657 JHSVBFGJCXJFRH-DGWZTRNLSA-N 417.480 4.928 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587424225 YAXGSIOQRHVMLQ-PGRDOPGGSA-N 411.379 4.800 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Br)N1 587678746 LNZZWFPFBXQGFQ-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2Br)N1 587679445 QSDBCFBCEQSIEP-VPTHRUTESA-N 415.100 4.680 0 1 HJAF COC(=O)c1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587694705 QDVBKLMMSFZNEM-HUTHGQBESA-N 412.686 4.652 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(C(F)(F)F)N1 587706759 RCTFVQFTAZVZHO-HWPZZCPQSA-N 403.217 4.518 0 1 HJAF COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587712201 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403.935 4.887 0 1 HJAF COc1cc(C(=O)c2nc(-c3ccccc3)cn2C2CCCC2)cc(OC)c1OC 95580934 BNOVLUOTUIGVOZ-UHFFFAOYSA-N 406.482 4.922 0 1 HJAF CC(C)(C)C1=NO[C@H](c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)C1 103201082 SAAWEALMIWISFM-INIZCTEOSA-N 401.413 4.790 0 1 HJAF COC(=O)c1ccc(S(=O)(=O)N(CCCF)c2sc3ccccc3c2C)cc1 115231724 XBUHBYXJDBLSBC-UHFFFAOYSA-N 421.515 4.551 0 1 HJAF COc1ccc2c(c1)CC[C@@]2(Cc1ccc(C(F)(F)F)cc1)c1cn(C)c(N)n1 115350253 AJUQOSZFBOVETL-NRFANRHFSA-N 401.432 4.505 0 1 HJAF Cc1c(N[C@H](CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)cnc2ccccc12 146547209 YGDQWJIICAKBBS-JOCHJYFZSA-N 419.525 4.947 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CCCNC1 169302209 GKFMYDYALVUXPQ-XCQNKYIYSA-N 403.651 4.757 0 1 HJAF CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCCCCC2)c1 169707026 LVANMHQQXGRDEF-GOSISDBHSA-N 422.573 4.818 0 1 HJAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(Cl)cc3)c2)c2cncnc21 169707888 GNPFAYJCNOYIMZ-UHFFFAOYSA-N 419.872 4.544 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(OC[C@@H](C)O)c2)cc(-c2ccc3ncsc3c2)n1 205833872 KZOODEXQLVTCCJ-HUUCEWRRSA-N 420.538 4.994 0 1 HJAF O=C1CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1 206187563 RDQOUFQBZLSFIE-UHFFFAOYSA-N 410.395 4.967 0 1 HJAF CCOC(=O)[C@@H]1CCCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993231 VKPNQDDUMAEIRN-QGZVFWFLSA-N 401.462 4.915 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 587026689 MCHLOMLPHMHJOI-ZNOIYHFQSA-N 401.482 4.978 0 1 HJAF COC(=O)c1cc2nc(Cc3csc4nccn34)[nH]c2c(F)c1Nc1ccccc1 587040885 ULFXFQJYVVCDGU-UHFFFAOYSA-N 421.457 4.532 0 1 HJAF NC(=O)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057774 UUJYEQNBRBILTF-UHFFFAOYSA-N 402.237 4.808 0 1 HJAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071805 RVZGXWNTNNOBKF-UHFFFAOYSA-N 414.870 4.709 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(F)c2)c1 587147643 WMASSXLIPZFBLW-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF COc1ccc(-c2ccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(F)c2)c(F)c1 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COc1ccccc1-c1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661042 LKAQZOGVKLHPNB-UHFFFAOYSA-N 424.435 4.657 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587705020 KMGLDCNNMWAAIL-FVMDXXJSSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3ccccc3oc2=O)N1 587707756 WXGNDNBIWVNJOG-NIVTXAMTSA-N 422.681 4.972 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)F)cc2)N1 587717623 LTQQDEHJPQVZCY-MGNBDDOMSA-N 400.238 4.987 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587731093 JWLYPLSHOSQAFR-SBKAZYGRSA-N 403.270 4.933 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1OC(F)(F)F 587868018 HQJORSHLVXYNJM-UHFFFAOYSA-N 403.282 4.860 0 1 HJAF COc1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1OC 653882395 VXSUGISEQCLXJS-OAQYLSRUSA-N 416.477 4.831 0 1 HJAF Cc1ccc2c(c1C)NC(=O)[C@@]21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816459 BLLDKPRXDPXDEX-HHHXNRCGSA-N 423.516 4.705 0 1 HJAF CC(C)c1nnc(-c2cnn3ccc(N4CCC[C@H]4c4cc(F)ccc4F)nc23)o1 1857607639 WJCUSODECXFIDK-KRWDZBQOSA-N 410.428 4.522 0 1 HJAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)CCC3)n(-c2ccc(F)cc2)n1 1911583884 JHBGGXSSLVCZRY-UHFFFAOYSA-N 405.517 4.657 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@]2(C)[C@H](OC(=O)C(C)=CC)C[C@@](O)(C(C)C)[C@@H]12 2356653894 LBJPCDBPHHIOKJ-SGHIUDFTSA-N 418.574 4.896 0 1 HJAF O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1Cc1cccc(O)c1 12304501 NXKWFEKIPJVGDC-JOCHJYFZSA-N 403.482 4.573 0 3 HJAF COc1ccc(Sc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1OC 5854367 KOHRHYAQFXASFO-UHFFFAOYSA-N 404.495 4.630 0 1 HJAF O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc(Br)s1 11634862 LBYNNWXUSCVKBG-UHFFFAOYSA-N 404.289 4.692 0 1 HJAF C[C@H](Cc1c[nH]c2cc(Br)ccc12)NC[C@H](O)c1cccc(Cl)c1 13488830 AMXCZKDZJXBRRY-BLVKFPJESA-N 407.739 4.838 0 1 HJAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12 26578345 UHMFNDHUKFJDDW-LJGHIQEKSA-N 417.553 4.646 0 1 HJAF CO[C@H](C)C(=O)N(c1ccccc1Cl)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26734550 GXUBZESBVOAOLU-NNMXDRDESA-N 414.977 4.661 0 1 HJAF Cc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26949882 UGSQUXYEAXCLHB-AUPNGBABSA-N 406.570 4.847 0 1 HJAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1Cl 27105247 RRTPTWULMGHZOR-KRWDZBQOSA-N 409.979 4.529 0 1 HJAF O=C1CS[C@@H](c2c(F)cccc2C(F)(F)F)N1c1cc(Br)ccn1 40421312 HPTZTJBMVZCJTQ-AWEZNQCLSA-N 421.213 4.781 0 1 HJAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCC(C(N)=O)CC5)c4)cc3)nc12 45303179 MKYIBLKLSHDNMI-UHFFFAOYSA-N 424.548 4.903 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)o1 82132270 HKJUWYWOQHVFAT-HRAATJIYSA-N 404.514 4.966 0 1 HJAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccccc2OC)cn1 84605356 CXZCFSSIBSECQS-YZQIAMBWSA-N 421.537 4.745 0 1 HJAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccncc4)ccn23)c1 147280269 GEVGLUZEQGOXES-UHFFFAOYSA-N 411.387 4.747 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](CC(C)=CCC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 253761424 WFKXCGWVYJNIRE-GTJRISPTSA-N 404.547 4.580 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C([C@@H](O)[C@H]4[C@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC5 255262536 RKRBZPKEVUKTID-NUOGNNJFSA-N 413.646 4.627 0 1 HJAF Cc1ccc(SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1 586963179 FWOHHDYHQVHSQN-UHFFFAOYSA-N 400.447 4.766 0 1 HJAF O=C1c2ccccc2-c2cc(-c3c(O)nc4ccccc4c3O)nc3ccc(O)c1c23 586988391 QSNWCPWZMCAATJ-UHFFFAOYSA-N 406.397 4.778 0 1 HJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 587014517 MSWDMBQUQYPRGW-MRVPVSSYSA-N 410.293 4.553 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587108023 GGWMFAOVOMVSKQ-UHFFFAOYSA-N 420.572 4.758 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(F)cc(Br)c2[nH]1 587108881 HRVOZKMWHXJXLN-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF Cc1cc(-c2nc3c(F)cc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125850 ULDDRRXPOKQKIH-UHFFFAOYSA-N 407.776 4.592 0 1 HJAF CC(C)(C)Oc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(N)cc1F 587135936 IRAGEKUYICIHAQ-UHFFFAOYSA-N 422.254 4.589 0 1 HJAF O=C(Nc1cccc(-c2nc3c(Br)ccnc3[nH]2)c1)c1ccc(F)cc1 587163786 SXTRMFHBDISWGU-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1 587174982 UZHBRGDOAHSDJB-NRFANRHFSA-N 404.397 4.957 0 1 HJAF COc1ccc2c(c1)[C@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346043 KXHHKPGKUYGDEC-VWNXMTODSA-N 405.425 4.610 0 1 HJAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587350932 LWXDFNQYOJRWDE-ISKFKSNPSA-N 408.425 4.823 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)N(C(=O)OC(C)(C)C)CCC3)O2 587400849 RJEKZDNSXODSDL-OAQYLSRUSA-N 408.498 4.971 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C1)CC2=O 587485704 JZLKHTWRCBZSLE-GOHWNWGWSA-N 405.538 4.981 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](c1ncccc1O)C2 587588486 QWWWJEVOIWNKDN-CCQPRUGESA-N 403.434 4.551 0 1 HJAF CCOC(=O)C[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595593 LEIMEECASYGPIK-ZJSXRUAMSA-N 410.466 4.626 0 1 HJAF C[C@@](O)(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587621810 JTCKCPDQBIRRLQ-LLVKDONJSA-N 416.119 4.595 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)F)c2)N1 587721049 VHFUYSRZZBOXLC-MLCYQJTMSA-N 400.238 4.987 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cccnc12 587778890 OPXQUOASTPEOOB-LAJNKCICSA-N 411.274 4.915 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587795203 HYIWFCUBKWKAHC-IAMHBRQHSA-N 412.343 4.851 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587829640 RSMBFBCRGFEFCS-QKKBWIMNSA-N 420.322 4.848 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2nccn2c1 587859656 KKFIFTWADWRCKL-UHFFFAOYSA-N 401.253 4.592 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc(Cl)c(C)n1 587861299 RMASJNBLJWSSLT-LLVKDONJSA-N 412.799 4.637 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@]1(c1ccccc1)c1ncccc1C 961318387 GQYCDUQLFWQFPH-AREMUKBSSA-N 402.538 4.585 0 1 HJAF Cc1cc(O)nc(SC[C@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)n1 963112135 WPJOKATYCIWDCC-YKSBVNFPSA-N 421.541 4.686 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1CCC(C)(C)C 1772592575 XOIMMBIMDYJXAS-UHFFFAOYSA-N 402.539 4.528 0 1 HJAF COC(=O)c1c(C)nc(C)c(C(=O)CC2CCC2)c1-c1cccc2c(=O)cc(C)oc12 1772598948 SHBZMXJHGBSACL-UHFFFAOYSA-N 419.477 4.940 0 1 HJAF COc1cc(NC(=O)Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc(OC)c1 1857599436 BFBCOYIYBZWFSS-UHFFFAOYSA-N 417.828 4.674 0 1 HJAF COc1ccc2c(c1)c(C(=O)Nc1cc(C(=O)O)cc(-c3ccco3)c1)cn2C(C)=O 1857746183 KOIBWAYWUHFAPT-UHFFFAOYSA-N 418.405 4.521 0 1 HJAF CCN(CCC/C=C1/OC(=O)c2cc(OC)c(OC)cc21)Cc1ccccc1N(C)C 1911581585 LGSWAOKTFHVHBY-LPYMAVHISA-N 424.541 4.583 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CCC4=CN(CC(=O)O)C=C[C]4[C@]3(C)CC[C@@H]21 2356812881 YKXZFFKYOZDVNS-AXWOKOBESA-N 414.566 4.945 0 1 HJAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6cccc(Cl)c6)cccc5c4CCN3C(=O)[C@@H]12 199738182 GSAFJWVXLNIBGA-CUCDBKBVSA-N 421.928 4.568 0 3 HJAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774567 YCJZCMXOSSJKGW-CVEARBPZSA-N 402.903 4.757 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1N 4080419 IRGRZHQWYDUDAS-DNQXCXABSA-N 423.557 4.998 0 1 HJAF COc1cc(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1 14945415 LYMIHMQNWRKLHN-UHFFFAOYSA-N 417.557 4.758 0 1 HJAF COc1c(OC)c(OC(=O)C(C)(C)C)c2c(OC)cccc2c1OC(=O)C(C)(C)C 29313549 KPHYTEMDDIETRU-UHFFFAOYSA-N 418.486 4.769 0 1 HJAF Cc1ccc(O)c(C(C)(C)C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1 34633690 VGCGSAUUQCQDAY-JOCHJYFZSA-N 419.443 4.677 0 1 HJAF Cc1ccccc1-n1c(C)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2c1=O 73310805 GDPSVPQAJCGDTK-UHFFFAOYSA-N 403.869 4.908 0 1 HJAF CC(C)=CCc1cc(C[C@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O 85956029 DKIYWPRXYDNQFG-DEOSSOPVSA-N 410.510 4.607 0 1 HJAF endogenous,in-man CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95575280 XBOPKNKBGDXPOY-JOCHJYFZSA-N 412.961 4.891 0 1 HJAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1 95866666 GXVWFRBIVXCGPX-NQHRYMMQSA-N 420.553 4.619 0 1 HJAF CSc1ccc(Oc2ccc(CNC(=O)c3c4c(nn3C)[C@@H](C)CC4)cc2)cc1 103188858 XDVVPVZRIWMDBR-HNNXBMFYSA-N 407.539 4.914 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@](C)(O)[C@@H]1CCCNC1 169302208 GKFMYDYALVUXPQ-MWZJUYQKSA-N 403.651 4.757 0 1 HJAF COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)CC3)cc1 215346700 MCCFSBNEXWGZFW-HSZRJFAPSA-N 420.461 4.694 0 1 HJAF CSC1=N[C@H]2C(=C(O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1 253636849 WASSYUHVCUFIGT-OAHLLOKOSA-N 407.517 4.892 0 1 HJAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CCC(=O)[C@]4(C)OC(C)=O)[C@@H]3CC[C@@H]2C1 503958254 VQRXERHIFBGNDD-JFWCRHNHSA-N 418.574 4.852 0 1 HJAF biogenic O=S(=O)(c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1)C(F)(F)F 586898298 OFGHSVPNKVAKFC-UHFFFAOYSA-N 418.396 4.896 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cc1 586930859 IJQNFPRZJYCOOC-UHFFFAOYSA-N 413.449 4.642 0 1 HJAF COc1cccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586995622 JCRNKKLZEXOUDX-UHFFFAOYSA-N 408.457 4.944 0 1 HJAF CN(C)/C=C/[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339090 RETRNJQZCWAZEE-JCZFHWCVSA-N 403.453 4.861 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4F)c1)[C@@H](C2)C3=O 587427748 UTYMOCHJJAGSIF-AVRWGWEMSA-N 420.436 4.911 0 1 HJAF CCOC(=O)CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520566 FLSZAZFZIYPXLJ-RUZDIDTESA-N 408.494 4.778 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)ccc12 587544919 LJKCWTMLBCNUHN-SIKLNZKXSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](c1ncccc1O)C2 587588497 QWWWJEVOIWNKDN-IJHUGTEESA-N 403.434 4.551 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(C)C)c1 587598801 YMXIXUHPWKUHFD-URXFXBBRSA-N 406.434 4.891 0 1 HJAF COc1cc(Cl)ccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656254 DJMYVGLRUSSWSK-UHFFFAOYSA-N 408.816 4.553 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699969 TWVZUEJZDALFQB-JDNHERCYSA-N 400.723 4.780 0 1 HJAF COc1ccc2nccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587779918 WRKZLCOWTGFXBQ-YBTHPKLGSA-N 401.279 4.769 0 1 HJAF COc1cc2c(cc1OC)[C@](C(F)(F)F)(C(Cl)(Cl)Cl)N(C)[C@H](C)C2 962637972 UPRKUVSPEDDIGQ-AMIZOPFISA-N 406.659 4.708 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(Cl)nc1)c1cccc(C)c1 963587868 XZLDHSWHGRJIIE-GYCJOSAFSA-N 408.929 4.887 0 1 HJAF C[C@@H]([C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H](N(C)C)[C@@H]4C)N(C)C 2356450818 KDKFZGZVPVIBCE-VTKILXMVSA-N 414.678 4.973 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356835016 KNGAXTVTDIELJV-FQZBYREUSA-N 424.581 4.512 0 1 HJAF CC(=O)N1C[C@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1c1ccc(Cl)cc1 61920884 YUSIJZXXJHKHPC-LJQANCHMSA-N 423.822 4.506 0 3 HJAF CC(=O)O[C@]1(Sc2ccccc2)C[C@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O 5664655 ZNIZFWKJSBADSP-LEYYSGQMSA-N 418.555 4.585 0 1 HJAF CC(C)N1CC[C@H](Oc2ccc(OCc3ccccc3Cl)c(CN(C)C)c2)C1 28703630 FBKHHDDILLEADA-NRFANRHFSA-N 402.966 4.842 0 1 HJAF COc1ccc(N2C(=O)O[C@H](COC(=O)C3CCCCC3)[C@H]2Cc2ccccc2)cc1 40567082 XZVCRDMRXQMWTM-DHIUTWEWSA-N 423.509 4.755 0 1 HJAF COC(=O)c1ccc(NCc2cncn2Cc2cccc(N)c2)cc1-c1ccccc1 40975125 HZYYCZPUDAKDRT-UHFFFAOYSA-N 412.493 4.579 0 1 HJAF COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C 45192458 POWJGWLECZKJML-NTUHNPAUSA-N 415.537 4.903 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2c(C)cccc2n1 45315390 JSCRFRPIEAQXHA-UHFFFAOYSA-N 415.472 4.983 0 1 HJAF CC(=O)Nc1ccc(-c2cc(C(=O)O)c3cc(C(=O)c4ccccc4)ccc3n2)cc1 64245734 NVLYTHBERJKKNO-UHFFFAOYSA-N 410.429 4.789 0 1 HJAF CCC[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1 96167899 PBLZCVAOCGJMDC-QMMLZNLJSA-N 418.474 4.953 0 1 HJAF COc1cc(OC)cc([C@@H]2[C@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(F)cc2)c1 96916241 IQHQQEGZNRCNAO-SONWIMMPSA-N 424.468 4.823 0 1 HJAF C/C=C/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](O)[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1 103241629 FFBLFSFSCNGUGS-YGXGVOTQSA-N 421.581 4.793 0 1 HJAF O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166621254 WLTVRUIKMDAOJD-UHFFFAOYSA-N 423.476 4.672 0 1 HJAF COC1=C[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169299372 FDWHRNRDGMYDCB-RRMPHLOHSA-N 403.448 4.628 0 1 HJAF O=C(NC[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1c(F)cccc1Cl 207684875 JKVUCJDDKNGCOP-LLVKDONJSA-N 401.791 4.602 0 1 HJAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219956331 HJPCXYKWUOGDSW-KRSIWRBNSA-N 414.583 4.572 0 1 HJAF in-vitro Cc1cc(-c2nc(-c3ccc(F)c(OCCF)c3)n3c2CCO[C@H](C)C3)cc(C)n1 221767130 RFAFXZNHVPTQCU-MRXNPFEDSA-N 413.468 4.678 0 1 HJAF N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1 223686057 YKQOUBRABHEBJT-OAHLLOKOSA-N 422.579 4.642 0 1 HJAF CC(C)(C)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946029 PYVRZKWYWYDIMP-UHFFFAOYSA-N 415.540 4.660 0 1 HJAF COc1ccc2c(c1)[C@H](CC(=O)O)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990370 DIQGYPZCNVDZBB-KRWDZBQOSA-N 423.424 4.747 0 1 HJAF COc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1C 587153730 BCRBROSICSCNAS-UHFFFAOYSA-N 405.429 4.704 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)ccc2[nH]1 587180997 KUBAPDZSYPAXDJ-QMMMGPOBSA-N 400.651 4.655 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 587217728 DZBUARBTBKPNNT-IBGZPJMESA-N 411.383 4.981 0 1 HJAF Cn1ncc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc21 587336788 AQHVPLSCIUDUTI-ISKFKSNPSA-N 402.425 4.692 0 1 HJAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N)ccc2O1 587341717 ZTZJSENSWPWCFI-RDGATRHJSA-N 419.452 4.929 0 1 HJAF COCc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC 587352635 PJXQNNVEOCEAJM-NOZRDPDXSA-N 422.452 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cc1Br)CC2=O 587455901 HMIMYRVOOGHIRH-GOSISDBHSA-N 419.271 4.600 0 1 HJAF CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587526544 YBHYCDFKODRLPZ-AREMUKBSSA-N 420.505 4.565 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncc1)c1ccccc1 587586192 JFTFZGUFZMUWOY-OZXSUGGESA-N 409.441 4.887 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2CCCCCC2)N1 587750522 UQYNJXQYZTZDIT-XCLFUZPHSA-N 411.359 4.567 0 1 HJAF CC(C)n1ncc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc21 587756463 DSXHRMPZMCSNJK-ZMZPIMSZSA-N 403.299 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1 587797738 SEVDMDRNKNPOMW-MPBGBICISA-N 416.294 4.630 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 587832087 YQBHOKOOLKHRJH-GTJPDFRWSA-N 420.322 4.748 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccco2)on1 587865040 SYXYDWNKYDSUBB-UHFFFAOYSA-N 417.343 4.904 0 1 HJAF Nc1cccc(Br)c1-n1c(O)cc(-c2cccc(Br)c2)c1O 587936795 XQHFTGFXRFSCQC-UHFFFAOYSA-N 424.092 4.663 0 1 HJAF C[C@H]1CCc2cc(-c3nncc4ccccc34)ccc2N1C(=O)c1ccc(O)cc1O 653675515 OCVNXALHQSJRLS-HNNXBMFYSA-N 411.461 4.690 0 1 HJAF CCC(=O)N(C[C@@H]1CCCCN1Cc1ccc2c(c1)CCC[C@H]2N)c1ccccc1 653768408 HHUFGVRUAGSDNE-UKILVPOCSA-N 405.586 4.820 0 1 HJAF Cn1cccc1CN1CCc2sccc2C12CCN(Cc1cccc(F)c1)CC2 962377795 YFFDMMGBUCKUTG-UHFFFAOYSA-N 409.574 4.775 0 1 HJAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962700872 LFELNCVTKOATEY-LRTDBIEQSA-N 414.477 4.597 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@H]2[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963130590 KOVVGGPKZQUYQB-JLTOFOAXSA-N 404.432 4.507 0 1 HJAF CCCCO[C@@H]1C[C@@]2(N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)C1(C)C 963170436 AKEYDTWQDRQXRU-LPMFXHHGSA-N 419.871 4.768 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(Br)c(C)c1)C1CC1 963629405 BFHJHJXUSGROFA-RCDICMHDSA-N 416.359 4.963 0 1 HJAF Cc1cc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)n3c2CCOCC3)cc(C)n1 1772571453 HWIYILAGTKTAMO-UHFFFAOYSA-N 405.395 4.960 0 1 HJAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 2356384524 UEVLBOFOSJDJHO-SGNDLWITSA-N 408.586 4.826 0 1 HJAF c1ccc(CN(Cc2ccco2)[C@@H](c2ccncc2)c2nnnn2C2CCCC2)cc1 26439056 MVXUCLVJBZKIPM-QHCPKHFHSA-N 414.513 4.568 0 3 HJAF C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1Cc1cc2ccccc2o1 61897304 FPDKVCROTJNMBB-OAQYLSRUSA-N 402.416 4.732 0 3 HJAF COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2 1855665 DUJICMBMSJYNPU-NDEPHWFRSA-N 414.545 4.927 0 1 HJAF O=C(C1CCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 6579193 WMCZIGXXBLMNLT-IZZNHLLZSA-N 402.582 4.908 0 1 HJAF c1ccc2c(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c[nH]c2c1 22465608 ISMZQGBWFNTHDK-UHFFFAOYSA-N 400.570 4.832 0 1 HJAF CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(S(C)(=O)=O)cc3)ccc2C1 27406296 QCYUUTMUPYPDBW-XMMPIXPASA-N 413.627 4.855 0 1 HJAF CCOc1ccccc1-[n+]1c(=S)[c-](C(=O)Nc2ccc(C)cc2)n2ccccc21 61714926 HIPFLAVBFGJIFN-UHFFFAOYSA-N 403.507 4.624 0 1 HJAF COCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2)n1 82133764 OGBIKDDSQICEMV-UHFFFAOYSA-N 418.541 4.643 0 1 HJAF COc1cc2c(cc1OC)CN(Cc1coc(-c3ccc4cc(O)ccc4c3)n1)CC2 95588310 CJGJIULVHOUJMW-UHFFFAOYSA-N 416.477 4.776 0 1 HJAF COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 95589637 XLIRSHIRYPKCAN-GOTSBHOMSA-N 404.462 4.833 0 1 HJAF CCCC[C@H]1CC(c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)=NO1 103216793 RJONDOVOHQQKOA-HNNXBMFYSA-N 401.413 4.610 0 1 HJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(Br)cc1 104059947 YBJCLXCKALZBJR-PQMNFKMDSA-N 408.292 4.650 0 1 HJAF Cc1ccc([C@H]2c3n[nH]c(=O)c4cccc(c34)N[C@@H]2c2ccc(CN(C)C)cc2)cc1 118617128 GVSORFPHFXQBDJ-ISKFKSNPSA-N 410.521 4.592 0 1 HJAF CC(=O)Nc1cccc(-c2cccc([C@@H](C)Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 169169690 ZFVBEFRCHYYEND-INIZCTEOSA-N 401.510 4.620 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@@]12C 169713523 LGKOHXBHQYUHPI-PDYFZDANSA-N 404.595 4.554 0 1 HJAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CCC(C)=CCC1 253638968 FMTBRQQRKOQJRA-KMDXXIMOSA-N 412.549 4.572 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586915160 BJFFBFZYFDQMBD-JEOXALJRSA-N 421.241 4.820 0 1 HJAF Cc1c(-c2nc3c(F)cnc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166446 SEJLKLWCANXBFJ-UHFFFAOYSA-N 403.230 4.980 0 1 HJAF CC(=O)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587346443 BTIWQWJNUFWCSD-VWNXMTODSA-N 406.409 4.731 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(=O)c(OCc3ccccc3)co1)CC2=O 587480899 LNQZUGFKCGZWEX-QFIPXVFZSA-N 406.434 4.583 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1cccc(Br)c1C2 587548150 SKKGJMNJSAFLHB-KNQAVFIVSA-N 423.262 4.654 0 1 HJAF COc1c(F)cc(F)cc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559870 ZXFGVWSVDGNOMP-QUCCMNQESA-N 412.388 4.642 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1 587735207 XFEKAQQSSGWXIT-FKANQGBASA-N 424.285 4.616 0 1 HJAF CCOC(=O)c1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793292 DFSXCRJBLKGEJH-ZSEKCTLFSA-N 420.322 4.757 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCCO3)N1 587837150 ZUVGYVNZLIXYBP-ZSEKCTLFSA-N 420.322 4.742 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1OC(F)F 587861626 VZGMRJUFPLRSGA-UHFFFAOYSA-N 412.314 4.867 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCCc1cccs1 587866819 KJEVGISWMQWQDL-UHFFFAOYSA-N 409.433 4.830 0 1 HJAF CC1(C)Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 653830219 OAVBVPBWKZMCDP-UHFFFAOYSA-N 419.341 4.600 0 1 HJAF O=C(N[C@@H]1C=C[C@@]2(C1)NCCc1cc(-c3ccccc3)ccc12)OCc1ccccc1 962671454 SGQPYZOVHFGNNG-SQHAQQRYSA-N 410.517 4.950 0 1 HJAF CC(C)c1nn(C)c2c1[C@@H](C1=Cc3cc(Cl)cc(Br)c3OC1)NCC2 962923479 ZEWXVLXMQHTBNU-GOSISDBHSA-N 422.754 4.622 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21CCC=C1Br 962963854 YJRKMZUCVLRSBC-KRWDZBQOSA-N 402.254 4.625 0 1 HJAF O=C(Nc1ccc(Cl)cc1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1 1857541492 IWVZDNRLXUVTCZ-NBVRZTHBSA-N 416.864 4.939 0 1 HJAF CC(=O)OCC=C(C)C[C@H](O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]12C 2356461188 XSWLZHVYMDZOHK-LKZRYDKBSA-N 406.563 4.587 0 1 HJAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCCOC 2356598526 SVIXFVXVFZFGKC-FSSWDIPSSA-N 409.611 4.572 0 1 HJAF O=C(NCc1ccco1)c1cccc(Nc2nc3cc(Br)ccc3[nH]2)c1 15974460 QYUZBNWCYNEEAL-UHFFFAOYSA-N 411.259 4.592 0 3 HJAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774686 WZPPIVUCBYACPA-LRDDRELGSA-N 404.919 4.860 0 1 HJAF COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@@H]43)c2c1 1814444 FGIKHFZJZSAPJO-FAWCNTJRSA-N 422.569 4.767 0 1 HJAF biogenic COc1ccc(/C=C2\CCCC3=C2N=C2N=NNN2[C@H]3c2ccc(OC)cc2)cc1 2916666 MUQSIMJCNHUYQL-QMPJNXRZSA-N 401.470 4.824 0 1 HJAF O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2cc(Cl)ccc2C1 9635979 HIAGILWFVAXHIA-UHFFFAOYSA-N 416.912 4.879 0 1 HJAF O=c1c(C(c2ccsc2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 9972779 GLWFXUBCVOUZIE-UHFFFAOYSA-N 418.426 4.552 0 1 HJAF O=[S@@](Cc1cc(OCc2ccc(Cl)cc2)ccn1)c1nc2cscc2[nH]1 13448762 WTCIHJWNYNMOKA-AREMUKBSSA-N 403.916 4.560 0 1 HJAF COc1ccc(C(C(=O)NCCCN2[C@H](C)CCC[C@H]2C)c2ccc(OC)cc2)cc1 13733990 ZZHWBLLFKUKZAZ-WOJBJXKFSA-N 424.585 4.605 0 1 HJAF O=C(c1cccc2ccccc12)N1CCN(CCCc2ncc[nH]2)c2ccccc2C1 13803035 WDJDQOTWRAMHQU-UHFFFAOYSA-N 410.521 4.658 0 1 HJAF Cc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1 26380965 LVGABCAIMLJLMP-UHFFFAOYSA-N 410.264 4.889 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(OCCCO)c(OC)c2)n1)c1ccccc1 38359267 AHTPVELUEWDAKM-FQEVSTJZSA-N 407.514 4.867 0 1 HJAF N=C(N)c1ccc(OCc2cc(COc3ccc(C(=N)N)cc3)c3ccccc3c2)cc1 43023232 RSTQDTRLSNWQRP-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF CNCCCCCCc1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45190125 NOCMJQOHRYWNQA-CYFREDJKSA-N 403.010 4.917 0 1 HJAF COc1cc(/C=C/c2cc(/C=C/c3ccc(OC(C)=O)c(OC)c3)on2)ccc1O 64417328 KYACWYGMXOHVPG-KBXRYBNXSA-N 407.422 4.664 0 1 HJAF COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(-c4cn[nH]c4)ccc23)c1 73165026 ZYBXRSQAQUYTFT-UHFFFAOYSA-N 422.488 4.959 0 1 HJAF CC(=O)Nc1cccc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)c1 82067522 FYUHPUUCTMHVRW-UHFFFAOYSA-N 402.498 4.686 0 1 HJAF c1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCN2CCCCC2)cc1 82178204 TUCDXKQGUDRLPR-UHFFFAOYSA-N 412.541 4.591 0 1 HJAF CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@@H]1CCCO1 82179016 WTFSIVZSHGVZQS-INIZCTEOSA-N 419.451 4.589 0 1 HJAF COc1cccc([C@@H]2O[C@H](CC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC 84709745 QWYMDKZWOZLJRT-CTNGQTDRSA-N 413.857 4.783 0 1 HJAF Cc1nc(-c2ccccc2Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294246 FCACAERQFSWDEQ-UHFFFAOYSA-N 416.308 4.919 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3cc(F)cc(F)c3)cnc3c(F)cccc23)CC1 201536242 IGLIUTVBTDYAPJ-UHFFFAOYSA-N 420.456 4.721 0 1 HJAF COC(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992767 TXJPKHLAJZJELQ-UHFFFAOYSA-N 409.441 4.843 0 1 HJAF CCc1ccc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)cc1 587015963 LJCWEFAXZVACAU-UHFFFAOYSA-N 404.539 4.748 0 1 HJAF Cc1nc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2cc1Br 587051023 NYMZYWYPIJANLO-UHFFFAOYSA-N 407.699 4.944 0 1 HJAF CC1=C(c2ccc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3c2)NNC(=O)C1 587076084 IKTKSBHRKJHCLL-UHFFFAOYSA-N 415.884 4.701 0 1 HJAF COc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1 587149938 WNIZHJSTABPXSR-UHFFFAOYSA-N 414.072 4.826 0 1 HJAF Fc1ccc(/C=C(\c2nc3nc(Br)c[nH]c-3n2)c2cccs2)cc1 587163510 KLPZHGLRQNWJHP-WQLSENKSSA-N 401.264 4.857 0 1 HJAF FC(F)(F)c1ccc(-c2nc3cc(Cl)ncc3[nH]2)c(I)c1 587178758 KRVLBJBYKUGPOT-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587242159 IBEXHLIFGOJMHV-UHFFFAOYSA-N 412.209 4.893 0 1 HJAF Cc1ccc([C@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587346497 MSOQLSYRUQVLSR-RDGATRHJSA-N 414.436 4.866 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCc3nc(Cl)sc3C2)[C@@H]1c1ccc(F)cc1 587373739 NKOFLUDCRUICHD-NQIIRXRSSA-N 415.873 4.928 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(C)[nH]c3ccccc13)CC2=O 587482631 JUDBONPATBKESB-XMMPIXPASA-N 407.466 4.558 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587579828 QRTHRFDLEABUMV-RDGATRHJSA-N 417.461 4.758 0 1 HJAF CCOC(=O)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593066 BUSOOJKUDLMZQN-RBBKRZOGSA-N 418.445 4.532 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(O)cc2)n1 587614730 SXTDXQWTWJKCMY-SIKLNZKXSA-N 417.442 4.924 0 1 HJAF COC(=O)c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587622043 VFXYSVOBSGBQGM-UHFFFAOYSA-N 404.651 4.914 0 1 HJAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587632519 YCVSUXQJUNTOHZ-NSHDSACASA-N 410.873 4.862 0 1 HJAF COc1cccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587658027 ILESADTVOSJMJN-UHFFFAOYSA-N 423.444 4.595 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2N)N1 587676999 JPQWBCYDPLGMLK-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741578 HTRGOBHBEMJDTC-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF COc1ccc(CNC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587864344 YAFQIEJTEAOFCV-UHFFFAOYSA-N 421.444 4.509 0 1 HJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587952891 XNEFWSTYPUZMDO-HSMVNMDESA-N 404.454 4.903 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(Cl)ccc(Cl)c3F)N12 962666047 LZUQTXZIRNONQC-RXVVDRJESA-N 419.283 4.869 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Cl)c2S(=O)(=O)CC)N1 962946315 LEYQJBYUWCNZSY-BFUOFWGJSA-N 402.947 4.629 0 1 HJAF CCC[C@@]1([C@@H](CC2CC2)C(=O)OCC)c2cccc(Br)c2CCN1C 963281208 QIGSXANZHQXXNA-RXVVDRJESA-N 408.380 4.912 0 1 HJAF COc1cccc(CN2CCC(C(=O)N[C@H](C)c3cccc4ccccc34)CC2)c1 61930244 XQOUTDCUKNBETG-LJQANCHMSA-N 402.538 4.938 0 3 HJAF C=CC1=C(C)[C@@H]2C[C@H](O)[C@H]3[C@](C)(C(=O)O)[C@@H](OC(=O)CC(C)C)CC[C@]3(C)[C@H]2CC1 13483119 WPAPOTTYBLXJHT-PPYPYHFCSA-N 418.574 4.745 0 1 HJAF biogenic Cc1cc(C(=O)Nc2ccc(C(=N)N(C)C)s2)n(-c2cc3ccccc3cc2F)n1 28236447 NQJIMQBBJVOKTL-UHFFFAOYSA-N 421.501 4.674 0 1 HJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@H]4OCC)O[C@H](C)CC3=O 29132916 OMIZSNPUKICYBX-CSJMPQKXSA-N 420.889 4.859 0 1 HJAF CC(=O)O[C@H]1C[C@](C)(O)/C=C/C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 34081029 JRJQERYJSFEBBL-XSUPJBTNSA-N 406.563 4.586 0 1 HJAF biogenic,in-vitro CC(C)[C@H]1C[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40860573 SYGZEVSXMXZNJX-UONOGXRCSA-N 422.620 4.684 0 1 HJAF CCn1c2ccncc2c2cc(S(=O)(=O)Nc3ccc4c(ccn4C)c3)ccc21 40934266 NLEXXMASVFPLEO-UHFFFAOYSA-N 404.495 4.502 0 1 HJAF C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 40939704 NVPFDMRQMYYBQN-HNAYVOBHSA-N 407.341 4.542 0 1 HJAF COc1ccc(-c2nc3cccc(Br)n3c2NC2CCCC2)cc1O 43123210 PXGVMQCAWJANHY-UHFFFAOYSA-N 402.292 4.833 0 1 HJAF COc1cc2ncnc(N(C)Cc3cccs3)c2cc1-c1ccc2c(c1)OCO2 64586122 QQDVXWQDXYUQJX-UHFFFAOYSA-N 405.479 4.732 0 1 HJAF CCOc1ccccc1-c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 82074958 FEKZRWSOYBKTAW-UHFFFAOYSA-N 421.566 4.603 0 1 HJAF O=C(C(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 95580133 RRWYFYQVWVWNPY-UHFFFAOYSA-N 400.547 4.604 0 1 HJAF C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 101049392 YDAZIHWOJIXKKE-UYDITSSVSA-N 402.582 4.593 0 1 HJAF CN1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 220366298 DDUMLUILZOPWNP-UHFFFAOYSA-N 416.504 4.580 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2cc(Br)c(Br)cc2[nH]1 586960965 DTKRRFKWLPLHBY-SSDOTTSWSA-N 414.126 4.731 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3c(Br)ccnc3[nH]2)c(C)c1 586966416 MWTRKRTZCZHCQX-UHFFFAOYSA-N 414.332 4.815 0 1 HJAF FC(F)(F)Oc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587028904 BOGZYGCLRYIADN-UHFFFAOYSA-N 415.400 4.983 0 1 HJAF O=C1COc2cc3[nH]c(CCN4c5ccccc5Sc5ccccc54)nc3cc2N1 587039989 IUAHTJGCGORMKV-UHFFFAOYSA-N 414.490 4.739 0 1 HJAF CS(=O)(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128233 JPEDHIDCRPKMAZ-UHFFFAOYSA-N 405.451 4.695 0 1 HJAF Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Cl 587331905 QDGGYAXFPHUUTD-DENIHFKCSA-N 414.864 4.816 0 1 HJAF Cn1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 587613802 QJRFMWCKTGNAHC-DENIHFKCSA-N 404.447 4.557 0 1 HJAF CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587625533 JOUOGIOTVNTBHB-FLIBITNWSA-N 408.342 4.980 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1 587720052 QZCVVCSEMSYVAV-FKIZINRSSA-N 407.302 4.951 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738412 ABVZWUFANNQNJO-KXXCXRLESA-N 403.339 4.750 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2CCCCCC2)N1 587749160 NGEMFBRYMKBDGW-ZUOKHONESA-N 411.359 4.567 0 1 HJAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)C1 587765924 FEFSQCXWMCBEBK-BFYDXBDKSA-N 409.387 4.992 0 1 HJAF COC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587803696 BMHJEZYBDXRGCY-PXAZEXFGSA-N 406.295 4.583 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CC[C@H](C)C2 587869215 CPWDXECSBFELMV-NSHDSACASA-N 421.444 4.847 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc3nc(CC4CCCCCC4)[nH]c3c2)cc1 587959810 AUFLHNDLKVSBAH-UHFFFAOYSA-N 413.543 4.885 0 1 HJAF Fc1ccc(-n2cc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)nn2)cc1Cl 962665684 JFUZEJLBQZWVHC-HSZRJFAPSA-N 404.876 4.962 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(Cl)nc1)c1cccc(C)c1 963587869 XZLDHSWHGRJIIE-UPCLLVRISA-N 408.929 4.887 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(-c2cccc(C(=O)O)c2)cc1 963606596 ILCDZNSOWGFDHA-MYYSRTQBSA-N 403.478 4.693 0 1 HJAF CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963614682 YMIJECVYGUENSB-ASSNKEHSSA-N 420.347 4.879 0 1 HJAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1F 1857590437 NLGFPFWJUBHAFI-UHFFFAOYSA-N 419.403 4.978 0 1 HJAF N=c1[nH]c(CCc2ccccc2OCCCc2ccccc2)c(-c2ccccc2)c(=N)[nH]1 1857599362 IJOXTEAWNSJRHO-UHFFFAOYSA-N 424.548 4.766 0 1 HJAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356319913 SBWDYFUYGAMEGM-AYFIDHIXSA-N 418.574 4.852 0 1 HJAF C[C@@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088077 KGFRQVJXQKRIGD-FHMNWOSBSA-N 402.538 4.733 0 1 HJAF Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1 40867190 NZGPNMYYBHSCBR-UHFFFAOYSA-N 405.523 4.811 0 1 HJAF N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3)c3ccccc23)cc1 43012879 JVUGLFRNSVMCHF-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF COC1=C(F)[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45317421 WWWWZFLJGIDVFC-VWKPWSFCSA-N 421.438 4.925 0 1 HJAF O=C1c2ccccc2CC[C@]12[C@H]1c3ccccc3OC[C@H]1N1Cc3ccccc3C[C@@H]12 64559264 HBBBDJNLTBNRGH-DIFDANTBSA-N 407.513 4.787 0 1 HJAF O=C(O)CCC/C=C/C[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 87721985 XBEXHWPCLKUYDD-RMHFLQKMSA-N 400.490 4.761 0 1 HJAF COc1ccc(Nc2nc3cc(C(=O)O)ccc3n2Cc2ccccc2OC)cc1 89470005 RPGKSRFLYKGGBK-UHFFFAOYSA-N 403.438 4.544 0 1 HJAF CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 95601475 MYSOXKBFOIIOQD-UHFFFAOYSA-N 407.514 4.814 0 1 HJAF c1ccc2nc(N3CC(Oc4nccnc4-c4ccc5scnc5c4)C3)ccc2c1 96168826 RFCZNMOBMVGUBS-UHFFFAOYSA-N 411.490 4.569 0 1 HJAF CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1 102738625 FUMFVNYGXXFKER-QFIPXVFZSA-N 412.530 4.531 0 1 HJAF OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@@H]2c2ccc(Br)cc2)CCC1 103665779 AYQGTVCJGLCBLE-QGZVFWFLSA-N 411.259 4.972 0 1 HJAF CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103898904 HCOZCFBITBVGJC-HSZRJFAPSA-N 419.477 4.823 0 1 HJAF CCc1ccc(COc2ccc(C3CN(C(=O)c4cc(C)ccn4)C3)cc2OC)cc1 143579455 PHJOLWRZXUQMLX-UHFFFAOYSA-N 416.521 4.780 0 1 HJAF CC(C)C(=O)N[C@H]1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166144505 KZEDKVIFTWKMDG-QFIPXVFZSA-N 403.526 4.942 0 1 HJAF CCCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccccc1C(F)(F)F 169714267 AEMZECXPGMETJX-WMZOPIPTSA-N 411.420 4.670 0 1 HJAF O=S(=O)(CC[C@@](F)(Cl)C(F)(F)Cl)c1nc2ccc(Cl)cc2s1 299865768 UMFCYWYUJMIMJB-JTQLQIEISA-N 412.669 4.850 0 1 HJAF CCS(=O)(=O)c1cccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586922639 XXWAWDMYOHNXQY-UHFFFAOYSA-N 406.507 4.526 0 1 HJAF O[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1Cl 587059538 RSVNRRPXCGHBHY-CYBMUJFWSA-N 416.500 4.823 0 1 HJAF Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[nH]c2c1 587344065 FKZOHDKUIYSVDE-URXFXBBRSA-N 402.425 4.990 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Cl)cccc41)[C@@H](C2)C3=O 587420247 HYMCPPSMGDTHNK-BXKMTCNYSA-N 402.833 4.584 0 1 HJAF Cc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544281 KCJIPGVOMADHMQ-OXQOHEQNSA-N 412.239 4.561 0 1 HJAF Cc1cc(Cl)c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 587550491 BHNWDCCVDUUGEN-WIYYLYMNSA-N 406.825 4.705 0 1 HJAF C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554963 YXAIXAGUXUNCSL-PGRDOPGGSA-N 406.825 4.799 0 1 HJAF Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587572223 ONLJBJVTJTWDKT-UEZDOGJKSA-N 415.489 4.941 0 1 HJAF CCCCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587615560 YLNUBJRDQWLAIM-GHTZIAJQSA-N 408.479 4.777 0 1 HJAF O=C([C@@H]1C[C@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656833 QZUAABPIYLAJGQ-FUHWJXTLSA-N 402.400 4.786 0 1 HJAF C/C(=C\[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739493 HKGODIKFIGDGEN-WQFSCDLMSA-N 403.339 4.831 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC[C@H]3CCCO3)cc2)N1 587835362 VZPWBAYRPSPWCU-QKAVXHIFSA-N 420.322 4.770 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN3CCCC3)cs2)N1 587848361 NUJYUGQPKGVMAH-HXPMCKFVSA-N 409.368 4.869 0 1 HJAF Oc1ccc(OCCc2ccccc2)n1-c1cc2cnccc2c(Br)n1 587941777 QZFWIULTYNZXOS-UHFFFAOYSA-N 410.271 4.510 0 1 HJAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951024 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4.544 0 1 HJAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2nccc(C(F)(F)F)c21 146759637 GYBNWPLSBXULEW-NSHDSACASA-N 424.728 4.565 0 1 HJAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCCN3)c2c1 169333977 SEULJRPPRODQBH-BONVTDFDSA-N 422.369 4.847 0 1 HJAF CC(C)(C)CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169715235 ZUVAZIQGZTUPNE-ZIROWLHSSA-N 400.607 4.811 0 1 HJAF Cc1c(-c2ccc(C3=NC[C@H](C)N3)cc2)oc(-c2ccc(C3=NC[C@@H](C)N3)cc2)c1C 196125427 UJRYNEXZTBHPEO-IYBDPMFKSA-N 412.537 4.707 0 1 HJAF C/C(=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)CC[C@H](O)C(C)(C)O 204965390 SOTUFGKJQVSOCT-UZPFEWKMSA-N 400.515 4.757 0 1 HJAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@H](C)CCO)[C@H](C)CC[C@@]12C 238733627 VPMNGIVCZXQPSU-KEESSRIGSA-N 408.579 4.670 0 1 HJAF COc1ccccc1[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991433 KIQHOMRLSFHMBK-GOSISDBHSA-N 421.452 4.808 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(F)c3[nH]2)c1 587050316 XZDHDTSMTCKJIF-KTKRTIGZSA-N 400.841 4.746 0 1 HJAF 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Cc1ccc(Cl)c2c1[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553755 VQTBPUGCUCZQEV-XXBNENTESA-N 408.837 4.994 0 1 HJAF C[C@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581960 YBEJRQZBCPAZGG-RCZVLFRGSA-N 423.509 4.732 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cnccn2)cc1 587584737 AHOSRFKLXIOJDK-QPPBQGQZSA-N 412.401 4.677 0 1 HJAF Cc1ccn2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 587589032 SXKOBAOAVGTWSE-HYBUGGRVSA-N 400.434 4.534 0 1 HJAF CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601900 GCUOIIFRJUARBS-XBALHQJQSA-N 422.477 4.950 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CCOCC1 587612930 WOLJIDAYPZUCAN-WIOPSUGQSA-N 402.446 4.989 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@H]2CCCNC2)N1 587789129 ADDWVTRJCKGIEU-FXCLAUTBSA-N 417.366 4.560 0 1 HJAF COc1cccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862725 WRVMHACSYOPGLD-CYBMUJFWSA-N 420.387 4.694 0 1 HJAF 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O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(C(=O)O)cc1 13761289 JRGORFNWGVLZKL-AATRIKPKSA-N 419.220 4.523 0 1 HJAF CCN(C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)c1ccccc1 36189250 JSVCHYCWIRWLJK-BYZXQKDHSA-N 420.597 4.953 0 1 HJAF C[C@@H](c1nc(-c2ccc(OC(F)(F)F)cc2)no1)[C@H](N)Cc1cc(F)ccc1F 42878625 JTABHRJTJJEDDB-QLJPJBMISA-N 413.346 4.587 0 1 HJAF COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1OC 45321495 OJDMLTFNQRISEI-GOTSBHOMSA-N 417.461 4.582 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)NC(C)(C)C)CC2 45498718 FFLCBWHYKCUODY-FQEVSTJZSA-N 402.922 4.813 0 1 HJAF COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 66129327 IPBKDYICPYMVMF-UHFFFAOYSA-N 422.535 4.529 0 1 HJAF COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F 66157120 RSUCTBRHQBMPJI-CNDZOEFASA-N 419.443 4.913 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 70454886 MWBJDDYEYGDWCZ-JDHJMEQMSA-N 413.646 4.771 0 1 HJAF biogenic,in-vitro Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cccc(N4CCN(C)CC4)c3)cc2)ccn1 103273548 DLEJDGZFPDWZMH-FQEVSTJZSA-N 414.553 4.551 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(C)cc(F)c3[nH]1)C(=O)OC2 586914967 DEWDZKSGVOQIQZ-LFYBBSHMSA-N 424.472 4.825 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(F)c3[nH]2)c1 587048142 FSPMPZMRDCZBJO-UHFFFAOYSA-N 402.857 4.665 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(Cl)cc4)nc3c2)cc1 587072673 UOZCMZUEJRSQER-UHFFFAOYSA-N 413.886 4.693 0 1 HJAF Cc1c(Br)cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 587132570 SOLRYCMOPAQEPU-IHWYPQMZSA-N 404.136 4.895 0 1 HJAF Fc1cc(Br)cc(-c2nc3cccc(I)c3[nH]2)c1 587161514 TXRJXICCWDVGQZ-UHFFFAOYSA-N 417.019 4.736 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)nccc3[nH]2)c1C 587166052 RAZWDHLWJWNRIH-UHFFFAOYSA-N 406.461 4.602 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2ccc3ncccc3c2[nH]1)c1ccc(F)cc1 587170279 MZEONZGXWZZECN-UHFFFAOYSA-N 418.453 4.718 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587190650 JADWDKCVLCESNQ-HXUWFJFHSA-N 421.476 4.844 0 1 HJAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C[C@H]1CCCO1 587196698 VNGSFHIQOXEPMT-GFCCVEGCSA-N 400.306 4.786 0 1 HJAF CC(C)[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198264 WBRPQSXRSABVQU-GFCCVEGCSA-N 417.735 4.938 0 1 HJAF CCOC(=O)CNc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587223356 CTUCECCVYBNREZ-UHFFFAOYSA-N 401.466 4.784 0 1 HJAF C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327675 GYLOLAMYKWQTMB-GCJKJVERSA-N 423.831 4.682 0 1 HJAF C[C@@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329781 DJHBDLXWAITPCU-GHTZIAJQSA-N 401.796 4.993 0 1 HJAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352814 YAVZXOUSVXFCDJ-CAIXEUJPSA-N 412.457 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccccc4Cl)c1C)[C@@H](C2)C3=O 587417228 AVHOMGHFFTWUCK-GAJHUEQPSA-N 408.885 4.699 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C)c2N 587472699 KYTDPSLCVQRJKR-SANMLTNESA-N 413.473 4.689 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C 587474056 CMJMDVCNPIRBQN-NPGVVQFXSA-N 403.519 4.714 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OC(F)(F)F)ccc1O 587558993 YYDKWYPAERZJCO-YLJYHZDGSA-N 418.323 4.699 0 1 HJAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN(C)C 587567863 AJPRORKVACJPEK-DHLKQENFSA-N 419.477 4.555 0 1 HJAF Cc1nccn1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576684 KETRWXJYLPFYRU-DHLKQENFSA-N 412.445 4.763 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1CCCO1 587580331 XDNLXYPESAQSKA-SEIFXHLTSA-N 419.477 4.692 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)no1 587586494 KHNXDDCZLRPYAY-XUZZJYLKSA-N 415.401 4.662 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](c1ncccc1O)C2 587588498 QWWWJEVOIWNKDN-VNOPPTIDSA-N 403.434 4.551 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(O)CCCCC1 587608256 KSIGPWPJXRKOSJ-GJZUVCINSA-N 416.473 4.945 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1 587757291 GWPWIQCWLURBDV-YEJXKQKISA-N 414.322 4.921 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccnc3O)c2)N1 587773942 SNYUZODBAVSRFP-ODXCJYRJSA-N 413.290 4.979 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)OC(C)(C)C)CC2)N1 587791198 JCZNOIFQKUOVEY-MEVBUXLWSA-N 412.343 4.850 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2n[nH]c3ccccc23)N1 587800090 ZXEKIIVALQJMNI-ODXCJYRJSA-N 402.311 4.847 0 1 HJAF CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC 587803922 YHPXCSQIRRXXAC-YUNKPMOVSA-N 408.311 4.928 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN3CCCC3)cs2)N1 587848359 NUJYUGQPKGVMAH-CWTRNNRKSA-N 409.368 4.869 0 1 HJAF Cc1cccc([C@@]2(C3CC3)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963201360 YMTCMKHSTBBHQT-OXJNMPFZSA-N 409.835 4.920 0 1 HJAF Cc1cccc(N(C)c2ccc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)c1 963216851 AORDIKNHGQPWRF-UIOOFZCWSA-N 423.516 4.999 0 1 HJAF CCN=c1[nH]c2ccc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)cc2s1 1857560656 FXSAUUNZLUWLRE-UHFFFAOYSA-N 422.514 4.545 0 1 HJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(F)(F)CO)cc21 1857611595 CEHFPAJFQXJKGG-UHFFFAOYSA-N 422.475 4.511 0 1 HJAF CC1=C[C@H](CN2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356565882 OPSSFJQTOFGNKS-RBZQAINGSA-N 422.617 4.690 0 1 HJAF CCO[P@](=O)(O)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1C(C)=O 2356691842 YTHYJGZYFUJIFJ-HNELQEGVSA-N 424.518 4.716 0 1 HJAF CC=C(C)[C@H](O)C(C)=CC(C)=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@H]1[C@H](C)C(=O)O 2356837639 LLPMFUMHVUYYMI-BBMMYNIISA-N 402.531 4.607 0 1 HJAF CC(C)C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27561475 YHJXFXCGUNJMCW-QFIPXVFZSA-N 408.542 4.821 0 1 HJAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@@H]2CCCNC2)cc1 28823646 WZFHNCFOXFZLRR-HXUWFJFHSA-N 400.950 4.564 0 1 HJAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1 29413136 WZOSJIRHTJHMGO-FZZYSBJUSA-N 411.256 4.791 0 1 HJAF CC1(C)[C@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O[C@@]3(C)CC[C@@H]1[C@@H]23 33902652 IJVOVAHXZFALHZ-YUJCWNOTSA-N 422.477 4.811 0 1 HJAF in-man CN(C)[C@@H]1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1 45354843 UYKJSYAQDGARFD-HSZRJFAPSA-N 424.548 4.528 0 1 HJAF COc1ccc(-n2c(CC3CC3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1 72123613 UZZOZZVNYNABCT-UHFFFAOYSA-N 403.530 4.686 0 1 HJAF CC(C)CN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccco2)n1 82142852 UGBCPFIPDXNJMW-UHFFFAOYSA-N 406.530 4.880 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCN1CCCCC1 82178081 RABXFPSTKSXSRT-FQEVSTJZSA-N 420.605 4.726 0 1 HJAF COc1ccc(OC[C@H]2c3ccc(OC)cc3CCN2C(=O)c2ccccc2)cc1 96271988 OMTJSZYECVWDBU-DEOSSOPVSA-N 403.478 4.522 0 1 HJAF CS(=O)(=O)c1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1 142967662 OCYFPMVYKUWKCZ-UHFFFAOYSA-N 414.490 4.925 0 1 HJAF Cc1ccc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1 147819918 PMEQXEOQPLSECB-UHFFFAOYSA-N 420.472 4.831 0 1 HJAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 167119888 YYSWFDUHMSXIJH-LJQANCHMSA-N 408.523 4.999 0 1 HJAF COC(=O)c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 586900271 BCKJHSRXUYNPQA-LPHOPBHVSA-N 417.440 4.801 0 1 HJAF O[C@@H]1C[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21 586903493 PQPQPBAXQKRXRG-GXFFZTMASA-N 408.093 4.657 0 1 HJAF COc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl 586998477 KXQPXGVOVBZOGS-IHWYPQMZSA-N 407.651 4.887 0 1 HJAF Clc1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1Cl 587019366 YDMUSOFILNRTMR-UHFFFAOYSA-N 419.293 4.750 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2c(Br)ccnc2[nH]1 587136492 JFFQMOHTJRZNBR-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(C(=O)O)c1)CC2=O 587458365 SHWZSZSQIXALCG-KRWDZBQOSA-N 405.244 4.512 0 1 HJAF COC(=O)c1cc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1C 587499686 MEXUXDOKVRADTA-HXUWFJFHSA-N 424.884 4.599 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1cccc(Br)c1 587538249 DRPMSLYSTFAWII-RBUKOAKNSA-N 411.251 4.728 0 1 HJAF COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C 587574586 BSKCLSUSQDCFEJ-XUZZJYLKSA-N 401.418 4.595 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@H]1CCOC1)c1ccccc1 587616433 JYGMLQULXYUISU-VEDVITAVSA-N 402.446 4.676 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cn2)N1 587678645 CNZMLYXZQTZAEX-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O 587691997 JGZNRPYZQGZROV-CQLKUDPESA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCCC3)c2)N1 587720054 QZCVVCSEMSYVAV-ODXCJYRJSA-N 407.302 4.951 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3cccc(F)c3)CC2)N1 587727917 CLBVDYLLNISZSE-GQKRIFGNSA-N 422.313 4.919 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2)N1 587735966 SAJPTQMZHBKMMU-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF COc1cc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587809757 VDGGVVMHCBOLCL-XWCDEBMWSA-N 422.294 4.600 0 1 HJAF Cc1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc(C)c1OCC(=O)NC(C)(C)C 963107104 WQFGCSGDDLZKEE-RDPSFJRHSA-N 424.560 4.846 0 1 HJAF CC[C@@H](C)C(=O)Nc1ccc(CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 1772623784 XIIUNNFJILKAEW-OAHLLOKOSA-N 406.482 4.657 0 1 HJAF C[C@@H]1[C@H]2[C@H](O)C[C@@H](C)CN2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356646863 RFIYLZGMGGONQR-OBWDYCDGSA-N 413.646 4.626 0 1 HJAF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1 4051414 MTLJQVXKVYFBHK-JTHBVZDNSA-N 402.494 4.985 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O 13555747 FIVWLOUIQSKMNV-QCEMWHGDSA-N 402.531 4.631 0 1 HJAF CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 14728274 SUUABGCZKXRNFT-JMWTXMFQSA-N 424.493 4.847 0 1 HJAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1cc(C)cc(C)c1)O2 26174783 OKMFMKSZIXQMRJ-QHCPKHFHSA-N 409.507 4.832 0 1 HJAF CCCc1c(OCCCCCCCCCCc2nnn[nH]2)ccc(C(C)=O)c1O 27738095 CNPHGZGUVMSESF-UHFFFAOYSA-N 402.539 4.803 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc2c1 29048635 YQDLHBSNBSESKB-UHFFFAOYSA-N 416.433 4.607 0 1 HJAF NC(=S)Nc1cccc(OCCCCCNC(=O)Nc2cccc3ccccc23)c1 45298605 VSJKGKZHTNPZDY-UHFFFAOYSA-N 422.554 4.866 0 1 HJAF O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1 64513251 GAWPXOIHRKJZND-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF in-vivo Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1 64548622 CIPZIUXMZKZTTO-UHFFFAOYSA-N 417.528 4.791 0 1 HJAF N[C@H](COCc1ccccc1)c1csc(NC(=O)Nc2ccc(Cl)c(F)c2)n1 73239942 AQOXDXFZRWFYFH-MRXNPFEDSA-N 420.897 4.796 0 1 HJAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CCN1CCCCC1 82177868 WQSYOJSHLFAHTM-UHFFFAOYSA-N 412.607 4.889 0 1 HJAF CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1 100705879 ACUSGEQXOWDVKD-UHFFFAOYSA-N 407.495 4.503 0 1 HJAF CCCSc1nc(OC2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1 117687889 WUIBPQHYTCWLEL-UHFFFAOYSA-N 420.575 4.668 0 1 HJAF O=C1[C@H](C/C=C(\CO)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 143588651 HEHHPZYUXSFAPV-SMOXZEHUSA-N 421.443 4.841 0 1 HJAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC(F)(F)F)cc3)oc2c1 168491744 WDBZIQKBOOBCHE-NSHDSACASA-N 403.360 4.644 0 1 HJAF OC1=NC[C@@H]2[C@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1 169334373 XJVLXUUXKGHKOC-RCCFBDPRSA-N 416.344 4.637 0 1 HJAF Fc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12 223663417 OFPFITFWXJFDGG-GFCCVEGCSA-N 424.480 4.549 0 1 HJAF CCOc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc1 504148005 DXSWMNINNXBTCY-LBVMUVSTSA-N 411.615 4.677 0 1 HJAF biogenic CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)c1OC 586977326 FIJVRPOSDLFKPQ-SNAWJCMRSA-N 417.259 4.632 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cs1 587019671 TUHHKPCSRVQYDE-UHFFFAOYSA-N 414.409 4.856 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(C)cc1 587207072 QNICTZJREWJANK-CQSZACIVSA-N 411.811 4.843 0 1 HJAF CC(C)COc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br 587251440 HGSIPAXSNBXNGQ-UHFFFAOYSA-N 416.319 4.758 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419970 ODBZPXBJWXQWHH-QVKFZJNVSA-N 421.276 4.598 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O 587442695 NEGNMQBEPCBVPX-CPJSRVTESA-N 416.429 4.849 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(O)c1 587541134 TWQUZEKTUGZTMI-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 587576352 GLUITHBBCQKUQJ-JYFHCDHNSA-N 407.425 4.860 0 1 HJAF CC(C)(C)c1cc(C=O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587605982 CMNCYZBCGBPBQB-YKSBVNFPSA-N 418.445 4.911 0 1 HJAF Cc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587612259 JAEPVBFULHRMTJ-NFBKMPQASA-N 424.474 4.792 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(CC(F)(F)F)s2)N1 587712008 ZGTKAMXIRVMWDB-JKYUHCHBSA-N 409.246 4.773 0 1 HJAF COc1c(F)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587717111 FLZULUPRQZHWSD-DYBLOJMWSA-N 400.238 4.673 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@H](C(=O)OC(C)(C)C)C2(C)C)N1 587790161 FVGRJVJCJMKEOT-PMKSDBMWSA-N 412.343 4.777 0 1 HJAF Cc1ccc(-c2cc(O)n(C[C@H](c3cccc(Br)c3)N(C)C)c2O)cc1 587941841 WWZQCXYBTRXRBF-LJQANCHMSA-N 415.331 4.940 0 1 HJAF O=C1Nc2ccccc2[C@]12ON=C(c1cccc(Cl)c1)N2c1ccc(Cl)cc1 653851582 XJZJOLCGKPZTSF-NRFANRHFSA-N 410.260 4.997 0 1 HJAF Cn1cnc2cc([C@H]3c4ccc5c(c4CCN3C(=O)OC(C)(C)C)NCCC5)ccc21 961753899 YVBQABXMWYMAHG-QHCPKHFHSA-N 418.541 4.814 0 1 HJAF CC(=O)Nc1ccc2nc([C@@H]3c4ccsc4CCN3Cc3cccn3C)ccc2c1 962373563 NEBYMIGONLGAMF-DEOSSOPVSA-N 416.550 4.741 0 1 HJAF COc1ccc2c(c1)[C@](CCCCC(=O)O)(c1cc(F)cc(F)c1)N[C@@H]1CC[C@@H]21 962998953 XGQCWXJVWNCEAB-WPYKKVEZSA-N 401.453 4.711 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](c1cc(Br)cc(C)c1F)NCC3 963049850 BCAGXFGGFJXYDG-HXUWFJFHSA-N 401.279 4.689 0 1 HJAF COc1cc(OC)cc([C@]2(c3cccc(C)n3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963110211 QTSFERKBXXJLFR-FNZWTVRRSA-N 418.512 4.859 0 1 HJAF CCCN1[C@H](c2c(-c3cccc(F)c3)nn3cc[nH]c(=O)c23)c2ccccc2C[C@H]1C 963234849 RCVSSOPXJGDUIA-MWTRTKDXSA-N 416.500 4.575 0 1 HJAF Cc1ccc(N(C(=O)c2ccc[nH]2)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 1857564491 KZVZDHOSGRXXBF-QHCPKHFHSA-N 416.525 4.555 0 1 HJAF CC(C)c1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCC2CCCC2)cc1 1857653822 BAFZASHEWDLKPC-UHFFFAOYSA-N 416.543 4.889 0 1 HJAF N[C@@H](c1ccccc1)c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 61930229 PWUZULKTJMYOCR-HNNXBMFYSA-N 408.405 4.734 0 3 HJAF CN(C(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1N1CCCC1 833540 UPDDIRTYOSMTEI-IAGOWNOFSA-N 419.780 4.891 0 1 HJAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NC3CCC(C)CC3)C2)c(C)o1 5055780 WMCUGUKIIWWZIA-SGDIKTSBSA-N 409.574 4.865 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H]1O[C@@H]2[C@@H](C)[C@@H]1C 14612967 RNIZTMIJCBCDBR-RNJOFPHRSA-N 414.454 4.515 0 1 HJAF O=C(c1nc(-c2c[nH]c3c(O)cccc23)c[nH]1)c1c[nH]c2cc(Br)ccc12 14768211 SLMJZAAYVDQNDX-UHFFFAOYSA-N 421.254 4.738 0 1 HJAF biogenic N[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)C[C@H]1CNc2ccccc21 14957681 UIJYBPOFYCKFKS-WLMAVBAVSA-N 405.933 4.639 0 1 HJAF Cc1ccccc1-c1ccsc1S(=O)(=O)Nc1onc(C)c1Br 26579178 QCWFHRALODUOMA-UHFFFAOYSA-N 413.318 4.583 0 1 HJAF CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)c1ccc(Cl)cc1 27522647 CWUCSSZIAOIVHR-GOSISDBHSA-N 421.903 4.565 0 1 HJAF Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC2CC2)[C@H]3c2ccc(C)cc2)cc1 29249011 YYVDFJAUJJYDGA-OSAWUMKISA-N 420.578 4.554 0 1 HJAF CC(=O)N[C@H](CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O 34088959 CXDOSRKBOPYXSZ-SCSAIBSYSA-N 411.521 4.635 0 1 HJAF biogenic CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 66136537 SBWHTHVHPNGIRM-UHFFFAOYSA-N 422.535 4.668 0 1 HJAF Cc1nc(-n2ncc3c(Cl)ncnc32)c2c3c(sc2n1)CCc1ccccc1-3 71330783 CJBICSNZHJHBSO-UHFFFAOYSA-N 404.886 4.548 0 1 HJAF O=C(Nc1cccc(CCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1 96285746 YIIBCJXNBCMGHA-UHFFFAOYSA-N 403.501 4.861 0 1 HJAF CN1CC2CCC1([C@H](NC(=O)c1ccnc(C(F)(F)F)c1F)c1ccccc1)CC2 141474154 FRSDNHPZGYIHJH-TUVDCLKLSA-N 421.438 4.585 0 1 HJAF Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2N2CCC(C)CC2)cc1F 144226340 KUGICBDEZHKTGY-UHFFFAOYSA-N 416.493 4.891 0 1 HJAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(Cl)ccc43)cccc21 145709054 PIMSEKJSLHWRNO-QGZVFWFLSA-N 411.889 4.616 0 1 HJAF COc1cccc(C[C@H](c2cccc(OC)c2)N2CCN(C3CCCCC3)CC2)c1 169317922 ZHXOTFFUBVETQT-AREMUKBSSA-N 408.586 4.938 0 1 HJAF O[C@H](CN1CCOCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169334849 PAFIHENYSQQNFH-HXUWFJFHSA-N 403.309 4.574 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@H]2CN(c3nc4ccccc4o3)[C@H]2C1 261188300 YFDJIMJVVGFZJM-CVDCTZTESA-N 409.489 4.846 0 1 HJAF COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCCC3)n2)cc1 299873844 AKCCBDLWFFCBJQ-FUHIMQAGSA-N 423.561 4.757 0 1 HJAF CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473180267 BHOKMVLNJVCRKP-LMNJBCLMSA-N 420.484 4.845 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899125 WTNOWYLACDWNAZ-UHFFFAOYSA-N 421.522 4.633 0 1 HJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586906426 CYGWIHROCBZTJO-MRVPVSSYSA-N 413.193 4.925 0 1 HJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587071255 YEPFUWBXRKAXAM-SECBINFHSA-N 400.654 4.542 0 1 HJAF CCCCCOc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br 587129237 URDIMVMEGFILNH-UHFFFAOYSA-N 414.254 4.628 0 1 HJAF COc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)nn1-c1ccccc1F 587156854 TXCSHEZOQXSJOE-UHFFFAOYSA-N 401.239 4.634 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)ccc2[nH]1 587180996 KUBAPDZSYPAXDJ-MRVPVSSYSA-N 400.651 4.655 0 1 HJAF CC(C)Oc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br 587245037 UXXRYADCRVZNJR-HJWRWDBZSA-N 400.276 4.765 0 1 HJAF Nc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2ccccc2n1 587254746 XWONPXPIQZWQQE-UHFFFAOYSA-N 407.193 5.142 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCN(c3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1 587332084 IPMFQWJCAVKJIT-ISKFKSNPSA-N 407.416 4.678 0 1 HJAF CC(C)Oc1ncccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332680 AWNPRLOMDHFNLL-QPPBQGQZSA-N 407.441 4.988 0 1 HJAF CCOC(=O)c1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352292 WSVOWLGKHZQUAM-DHLKQENFSA-N 420.436 4.982 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)O2 587413827 PMKBEUXWSREAFG-LBPRGKRZSA-N 409.895 4.741 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O 587416468 BYFCASYBVUMKJA-IFXJQAMLSA-N 405.675 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(F)c(F)c1O)CC2=O 587468970 ZTYKHTCWQANKFN-AWEZNQCLSA-N 413.214 4.798 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2cccnc2)Oc2cc(O)ccc21 587489376 LQYWTUWKELZYQP-FLWFWKMMSA-N 415.445 4.740 0 1 HJAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587523652 OCAFJYDOJOPVAD-AREMUKBSSA-N 420.505 4.565 0 1 HJAF COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547343 LUHHMCSMVYLSHL-WMZHIEFXSA-N 424.836 4.709 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587579826 QRTHRFDLEABUMV-DHLKQENFSA-N 417.461 4.758 0 1 HJAF C[C@@H]1CCCC[C@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582860 OLEVSKKQLSANNE-SFGWALBWSA-N 407.510 4.767 0 1 HJAF COc1ccc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587591608 WLFPTRYUAUGNIV-QPPBQGQZSA-N 401.418 4.759 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587701219 WTGYTZCYGUEKFP-XXFAHNHDSA-N 400.723 4.780 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2c(Cl)ncnc2Cl)N1 587704568 JKASGMRRMPOEMQ-CPFSXVBKSA-N 405.098 4.503 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587711649 XQPLMCYBNUMQDE-QGHHPUGFSA-N 416.212 4.741 0 1 HJAF Cc1nccn1-c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758864 YMJMPHBDSPSMRB-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF CCCOc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Br 587787253 SXSAAQGUIMIOSL-UHFFFAOYSA-N 419.275 4.611 0 1 HJAF Cc1noc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587793820 LHXRUBUJVNMISV-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCC2)N1 587818752 JEQHDPFUCOWDJZ-LRTDBIEQSA-N 402.307 4.979 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1 587853582 AIQXGHYQVFAARX-FVINQWEUSA-N 421.379 4.908 0 1 HJAF CCOc1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1F 587922664 GMYRRMRQKRMYIT-UHFFFAOYSA-N 420.531 4.801 0 1 HJAF Cc1cc2c(cc1F)[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(C)C)C1)NCC2 962377603 RVLRLVYQXWAGEM-UKILVPOCSA-N 410.533 4.932 0 1 HJAF Cc1cc(C)cc(COc2ccc(N(CCN)C(=O)c3cccnc3Cl)cc2)c1 1772581114 JOBQHLXNPNAFOS-UHFFFAOYSA-N 409.917 4.536 0 1 HJAF O=C(/C=C/c1ccccc1)OCCCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 1857589131 SZLXBVQNMOKYCR-JLHYYAGUSA-N 415.415 4.534 0 1 HJAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1ccsc1 1857602301 XWXHYZMPMAZSDW-HNNXBMFYSA-N 407.417 4.881 0 1 HJAF Clc1[nH]nnc1-c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1 1857772120 PEMXJDNZTLRVBK-UHFFFAOYSA-N 400.873 4.780 0 1 HJAF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3C[C@H](O)C(C)=C[C@@H]3O2)O1 2356495141 GYVVQYFUUGEIMA-RYWAYVEBSA-N 400.559 4.755 0 1 HJAF CO[P@](=O)(CC(=O)OC(C)(C)C)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 166486127 KDTIWXOZGQXZID-YMGMXPECSA-N 413.451 4.551 0 3 HJAF CN(C)c1ccc([C@H](O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 205228702 WJGYMDYXDMVSHW-KRWDZBQOSA-N 421.444 4.562 0 3 HJAF COC(=O)/N=c1\[nH]c2ccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)cc2[nH]1 14965477 LSYSLIJSKJGOJX-UHFFFAOYSA-N 417.425 4.599 0 1 HJAF O=c1ccc2c([nH]1)CCC[C@@H]2NCCCCNc1c2c(nc3ccccc13)CCCC2 26399901 SBEBVBMYOHASKY-NRFANRHFSA-N 416.569 4.661 0 1 HJAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(C)(C)C 29561374 CMKLELUFUHIGLT-UHFFFAOYSA-N 418.900 4.941 0 1 HJAF CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C(\C)I)cc1)N2 36271299 FMZWUJWDVRSFBN-FYYRDDCLSA-N 409.311 4.686 0 1 HJAF COc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c45)C(=O)Nc4ccccc43)c12 58591992 RHBRLDUQPLGLKC-UHFFFAOYSA-N 423.472 4.953 0 1 HJAF CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3)cc12 64437802 SKKIJQLGOTXDRV-UHFFFAOYSA-N 408.303 4.661 0 1 HJAF COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 72108136 HBICTRNYYDTNFX-UHFFFAOYSA-N 406.891 4.747 0 1 HJAF Fc1ccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82164518 RRCYQNFSAHHOQX-UHFFFAOYSA-N 418.497 4.910 0 1 HJAF COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)SCCC3)cc1 103258737 WQRHEWHHRCOKAK-UHFFFAOYSA-N 407.495 4.561 0 1 HJAF CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)[C@H]1CCOC1 141711089 VYZLGXDVYXKPSE-QFIPXVFZSA-N 402.494 4.532 0 1 HJAF CCN(C(=O)OC)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 144142184 RFTFWFOCFDNORF-KRWDZBQOSA-N 418.497 4.536 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 169323755 NVBZLUSKXDCJBQ-ZQOIHMBJSA-N 402.623 4.580 0 1 HJAF COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 169720986 IIOHKXDENDKFQI-NHCUHLMSSA-N 403.526 4.775 0 1 HJAF CO[C@H](/C=C/[C@H]1CCC(=O)O1)CCCCCC=C(Br)Br 198354572 VKOGIGKSQGLZNY-TYDXBBDOSA-N 410.146 4.845 0 1 HJAF COc1ccc(Br)cc1[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2CCCN21 250397309 IRJSKODRHPBDEV-WMZOPIPTSA-N 421.722 4.621 0 1 HJAF C[C@H]1CC[C@@H]([C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 255220113 IRRHFODGOMSPEE-HOFADDDFSA-N 415.662 4.921 0 1 HJAF CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 261139936 MXIKBLWWYRRRQW-QAQDUYKDSA-N 412.405 4.591 0 1 HJAF CCOC(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 586966430 NFCZIPQFLKIXNT-UHFFFAOYSA-N 406.511 4.834 0 1 HJAF C[C@H](NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 586988784 QNSNMKYIZSUGHS-HNNXBMFYSA-N 408.457 4.572 0 1 HJAF Cc1nc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2cc1Br 587074992 ANMYGSLOUQWIPA-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF FC(F)(F)c1cc(CCc2nc3c(S)nc(S)nc3[nH]2)cc(C(F)(F)F)c1 587110588 BTEVEGMMFHSSSI-UHFFFAOYSA-N 424.395 4.753 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587112051 GMWGSEVFVVFDJP-INIZCTEOSA-N 417.218 4.683 0 1 HJAF Cc1cc(-c2nc3c(C)cc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126309 XHWUSXIREOKEBD-UHFFFAOYSA-N 403.813 4.762 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cncc(Br)c3[nH]2)c1 587158459 FTQQXEJACXGHOR-UHFFFAOYSA-N 408.234 4.865 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(C(=O)O)cc1)O2 587400982 SYZWDEKXUSSWQW-QFIPXVFZSA-N 403.434 4.561 0 1 HJAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421191 UCTIMLWMJDKFDY-HCIHWQEHSA-N 404.293 4.720 0 1 HJAF COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444159 RYRGJTRTDQKKGY-YKSBVNFPSA-N 400.430 4.638 0 1 HJAF COc1ccccc1C[C@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523003 FVJVANPZFSTCGP-XNMGPUDCSA-N 417.549 4.615 0 1 HJAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1OC 587596373 OFRKWZYJTRAMNU-XUZZJYLKSA-N 406.434 4.811 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C)c2-c2ccccc2)N1 587766866 XRELPBYYJCYVHG-BUXKBTBVSA-N 400.295 4.612 0 1 HJAF CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587793436 FFVQILRCXFVNKS-BLVKFPJESA-N 400.332 4.707 0 1 HJAF COc1ccc2c(c1OC)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587806347 IAFHSHGJUHWYJW-XUSGNXJCSA-N 420.322 4.720 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587824933 DOAHJHGDGRUQMZ-BSWYJSDQSA-N 410.327 4.619 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1 587847913 MSUMOEHHUIKQPJ-YPMLDQLKSA-N 406.324 4.674 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)s2)N1 587855357 VDQZUNZWTVMXJH-APPDUMDISA-N 410.356 4.659 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1cccc(C(F)(F)F)c1 587871150 OMUPCVKIFLKTOC-UHFFFAOYSA-N 407.367 4.859 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(Cl)cc1Br 963058508 PKUMLHCPSPFPMR-LJQANCHMSA-N 403.707 4.894 0 1 HJAF COc1cc2oc(=O)cc(-c3ccc(-c4ccc(CO)cc4)cc3)c2c(OC)c1OC 13814126 MRSPXNJWQUJJQK-UHFFFAOYSA-N 418.445 4.645 0 3 HJAF CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)CC(C)C 61906741 XCISFJOTABGKJQ-UHFFFAOYSA-N 401.457 4.763 0 3 HJAF C[C@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(F)cc1)c1ccccc1 61930085 AQHXYYSYWREFGP-QGZVFWFLSA-N 417.484 4.660 0 3 HJAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(N)c3)nc21 3962456 LPJDSINAEJVSNX-UHFFFAOYSA-N 412.280 4.628 0 1 HJAF COc1ccccc1N1CCN(CCCCc2cc(/C=C/c3ccccc3)no2)CC1 13441310 TULCHGQYHOEOOE-CCEZHUSRSA-N 417.553 4.999 0 1 HJAF COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 27210915 LSRPJNTWHNCYBF-CSIBXFGFSA-N 407.602 4.587 0 1 HJAF COc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 28571379 JJGWQXMAOXKYNE-UHFFFAOYSA-N 416.884 4.648 0 1 HJAF Cc1ccc(CSc2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)cc1 40917581 POZXBTQITQGSTL-AWEZNQCLSA-N 412.544 4.578 0 1 HJAF O=C(NC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21)Nc1ccc(F)cc1 45259689 BJJLMCGAKMRHBT-MRXNPFEDSA-N 417.746 4.621 0 1 HJAF O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@H]1SCCc1ccccc1 61959295 ZBVPFGSTRSXASF-QHCPKHFHSA-N 402.515 4.791 0 1 HJAF Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCc2ncccc2C1 96283018 MSTRPYBYQABRCX-UHFFFAOYSA-N 402.882 4.581 0 1 HJAF O=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1 113488795 FHOABVDHYAEXMO-UHFFFAOYSA-N 411.786 4.543 0 1 HJAF CCc1ccc([C@H]2C[C@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1 114340058 IKTOOZHJDFEYBL-SFTDATJTSA-N 410.533 4.816 0 1 HJAF Fc1cnc(O[C@H]2C[C@H](Nc3nc4cc(F)ccc4s3)C2)c(C2CCOCC2)c1 146925120 QQEZYOZHXMHUJP-IYBDPMFKSA-N 417.481 4.885 0 1 HJAF FC(F)(F)CNc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1 203726957 YVAQXIXCFJWYDN-UHFFFAOYSA-N 400.364 4.527 0 1 HJAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ncc2OCCN1Cc1ccccc1 206197756 XJZLPEYDVPIKOW-UHFFFAOYSA-N 414.383 4.682 0 1 HJAF CCS(=O)(=O)c1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586922644 QSZIJSMDJUWOHO-UHFFFAOYSA-N 404.797 4.576 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c1C 586947399 NLMVJCKHPONHAJ-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 586967866 HJHZMFJWOFYYFR-HZPDHXFCSA-N 419.554 4.720 0 1 HJAF CCOC(=O)/C(=C/N(C)C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586994913 BMEJCEBKTOZVLC-CPNJWEJPSA-N 400.478 4.529 0 1 HJAF COC(=O)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cn1 587015259 JBTNTNXZLUYYIE-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(Cl)cc2[nH]1 587180571 GWODGFNEJWKUCK-ZETCQYMHSA-N 418.641 4.795 0 1 HJAF O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587214053 VPSNFYUUMMHFDI-UHFFFAOYSA-N 418.493 4.618 0 1 HJAF C[C@@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337431 VNDTZCRZCSYHRP-JTSKRJEESA-N 417.358 4.805 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(F)cc(F)c32)[C@H]1c1ccc(F)cc1 587338741 VGIROZCLENDXAS-NZQKXSOJSA-N 412.363 4.846 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cc(Cl)ccc1OC)CC2=O 587462829 RBWHVNOZDNFIOM-JOCHJYFZSA-N 417.889 4.759 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(F)cc2CCc2ncccc21 587471610 LNAQCNUYOMTWRM-RUZDIDTESA-N 403.453 4.886 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)nc1Nc1ccccc1)CC2=O 587492201 NOHSNXMMTGQQOP-HXUWFJFHSA-N 421.522 5.307 0 1 HJAF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587567877 AKUNIQYNULJDRA-WIOPSUGQSA-N 419.477 4.950 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Br 587568458 LXOBYCRJQZHVEX-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF CC(C)(C)OC(=O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574524 BLQNWIWMAZOLGL-WIYYLYMNSA-N 407.422 4.680 0 1 HJAF Oc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587620521 DXJABLKRLGYOIQ-UHFFFAOYSA-N 407.065 4.942 0 1 HJAF Cc1nc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587679015 DWUFQCHMRHSILF-VPTHRUTESA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1 587706971 TZKQHHDPGQIFOG-XYZCENFISA-N 408.702 4.752 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2N2CCCC2)N1 587715311 CEJQWRHDJRBWBN-YUNKPMOVSA-N 407.302 4.951 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccc(F)c3)CC2)N1 587736081 YTOPRCPVJWOYOA-CQSZACIVSA-N 421.329 4.753 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2N)N1 587751724 YVSUJOKZTNZMQI-FPTDNZKUSA-N 411.318 4.997 0 1 HJAF Cc1ccc(-n2cccn2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587759732 MLKVLTLRQCIMSG-RNODOKPDSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1 587762444 DVXCFNQILLKNTO-LHSJRXKWSA-N 414.322 4.631 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](c3ncccc3O)C2)N1 587772813 OWWNPEMMWPNPKF-UVARLRKDSA-N 405.311 4.776 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ncccn3)c2)N1 587775956 VGAAVOUWSWBMGL-CWTRNNRKSA-N 414.278 4.794 0 1 HJAF COc1ccc(C[C@H](C)c2nc3ccc(I)cc3[nH]2)cc1OC 587926869 PFHBDEQPWZRWLV-NSHDSACASA-N 422.266 4.531 0 1 HJAF CC[C@@H](c1nnnn1Cc1cccs1)N1CCC(c2nc3ccccc3s2)CC1 653793024 WOFLUJJYTWNFLL-SFHVURJKSA-N 424.599 4.723 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1C(=O)c1ccc(Br)cc1 963290085 SRTDDRIGAYZVFI-INIZCTEOSA-N 409.121 4.624 0 1 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 772524 QPTJEJCGQBGMRF-GMAHTHKFSA-N 422.887 4.930 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1N 4080424 IRGRZHQWYDUDAS-ZEQRLZLVSA-N 423.557 4.998 0 1 HJAF Cc1nc2cccnc2n1-c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 6751348 HUMDIGLQLUUGTF-UHFFFAOYSA-N 410.521 4.824 0 1 HJAF O=C(O)[C@@H]1CCCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 13729462 RKUFRRGGPZSUFJ-JOCHJYFZSA-N 415.533 4.792 0 1 HJAF CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1 26188984 GTJZNUCKMJCREJ-NHCUHLMSSA-N 422.500 4.801 0 1 HJAF COc1cc2c(C)[nH]c(=O)c(NC(=O)Nc3cccc(C(F)(F)F)c3)c2cc1OC 28103407 WTEMKQDJRCCJDI-UHFFFAOYSA-N 421.375 4.517 0 1 HJAF Cc1nn(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)c1Br 29402796 ITYBBFXJFHUGKB-UHFFFAOYSA-N 413.275 4.595 0 1 HJAF Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4ccccc4C)o3)nc2n1 40917354 JLQOMXRSFDGICF-AWEZNQCLSA-N 412.544 4.578 0 1 HJAF CCOc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1 73142402 LCGJPIRXLGNTOZ-UHFFFAOYSA-N 418.472 4.954 0 1 HJAF CCn1c(=O)c2nc(-c3ccccc3Cl)[nH]c2c2ccc(Br)cc21 95602168 BVIRMWAYIKUYFU-UHFFFAOYSA-N 402.679 4.981 0 1 HJAF C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ncccn3)nc2c1 95603658 JEMRJBHXGAQYMP-HNNXBMFYSA-N 410.433 4.844 0 1 HJAF C[C@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1 100033719 CMUQPQFUNNJOLD-HTAPYJJXSA-N 408.454 4.906 0 1 HJAF Fc1ccc2[nH]cc([C@H]3CC[C@@H](NCCOc4cccc5c4OCCO5)CC3)c2c1 101000933 RHNPGMRUWOQALX-SAABIXHNSA-N 410.489 4.773 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(C)c2)n1)c1ccccn1 139487102 GRWCIMWQRWLFCF-FQEVSTJZSA-N 404.518 4.942 0 1 HJAF COc1ccc(CCN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1 143914764 XSULJHGOTIUCPH-UHFFFAOYSA-N 410.521 4.983 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(OC(C)=O)C(C)=O)C1 153525370 TYLAMIKBOCFWSP-UZZVPUAOSA-N 418.574 4.852 0 1 HJAF CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 238782690 DJEKAWTVCYHDKU-PXDATVDWSA-N 422.477 4.672 0 1 HJAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2ccc(Cl)cc2n1O 377799778 LELQIZJHWWTMGO-UHFFFAOYSA-N 419.766 4.850 0 1 HJAF CC(C)Oc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018594 JEAAVASGZCYAPF-UHFFFAOYSA-N 407.495 4.836 0 1 HJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587196184 RUCVYCQRPOJEBR-UHFFFAOYSA-N 424.545 4.850 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(C(Cl)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587332612 SVVPFSLWYVJXCH-JTHBVZDNSA-N 424.811 4.964 0 1 HJAF CCOC(=O)[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353621 ZPOHMEWBDSRBMZ-RDGATRHJSA-N 420.436 4.657 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccn1)O2 587373332 UCZFAZUAFALOLJ-OAQYLSRUSA-N 409.283 4.644 0 1 HJAF O=C1C[C@@]2(CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 587517510 OTRSXWDNUQKLLL-QLXKLKPCSA-N 415.489 4.508 0 1 HJAF COC(=O)c1sccc1O[C@@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533584 XPZNCNTVMZBLOI-XMHCIUCPSA-N 400.496 4.605 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587610162 PIUWTRCXUWAQAL-HYBUGGRVSA-N 402.402 4.641 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)nn2C)N1 587766441 WBVFLTRNTCBEMJ-FKIZINRSSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587795246 NUJWAYSNULZXKD-WIUDPPPLSA-N 417.322 4.616 0 1 HJAF CCCCCC(=O)Nc1c(C(=O)NC2CC2)sc2nc(OC)c(Cl)c(C)c12 653713221 IGLRHNKTIBKKDZ-UHFFFAOYSA-N 409.939 4.678 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccccc1)(c1cccc(C(=O)O)c1)N(C)[C@@H](C)C2 962620262 FNQHQQDJMKZOMA-QLXKLKPCSA-N 417.505 4.570 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 962906548 GTDXCYDTZKNBTO-FCHUYYIVSA-N 411.860 4.746 0 1 HJAF Cc1cncc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 1772588511 ZMAJATRVGWVVSK-WGSAOQKQSA-N 412.486 4.572 0 1 HJAF Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 1366380 LIKLXSXTRFGUKL-GFCCVEGCSA-N 407.495 4.651 0 3 HJAF O=C(Nc1ccccc1)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1 13634999 LVMZUMXDSZSOTF-WIOPSUGQSA-N 415.489 4.748 0 3 HJAF CCC(CC)[C@@H](C(=O)NCc1ccccc1)N1CCN(c2cccc(C)c2C)CC1 95600171 YMHOFCHWWVLAAC-VWLOTQADSA-N 407.602 4.547 0 3 HJAF O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 3956237 CXMLTAHTSDSVKE-UHFFFAOYSA-N 413.468 4.515 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295359 AVKLDALPEKNUHT-HBMCJLEFSA-N 400.544 4.612 0 1 HJAF COc1ccc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)cc1 10312183 KCOJRYDFPOPSNO-UHFFFAOYSA-N 407.282 4.747 0 1 HJAF CCC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358289 NXNUJDVSVRAGCN-MRXNPFEDSA-N 423.431 4.687 0 1 HJAF C[C@H](N1CCOCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959524 SAFJFWSNEFJDPZ-QGZVFWFLSA-N 402.473 4.755 0 1 HJAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3Cc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2 27550609 IIVLONMULFPENV-WSKLTFMVSA-N 414.549 4.991 0 1 HJAF NCc1cccc(C2CCN(C(=O)c3cn(-c4nccs4)c4ccccc34)CC2)c1 28471674 QOAMEHLENWIYMH-UHFFFAOYSA-N 416.550 4.566 0 1 HJAF O=C(O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2ccc(OC(F)(F)F)cc12 35087112 GPNPYUJILFGGBO-UHFFFAOYSA-N 402.328 4.609 0 1 HJAF COc1ccc(C2=NN(C(C)=O)[C@@H](c3c(C)nn(-c4ccccc4)c3Cl)C2)cc1 64415668 RSLVKZLMAHKMHO-HXUWFJFHSA-N 408.889 4.540 0 1 HJAF CC(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 72175119 RGLAYPLKGQCGAF-QGZVFWFLSA-N 403.935 4.887 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1 82142024 HYZGVVTYTZQKPC-ZDUSSCGKSA-N 418.419 4.896 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 98084504 NVBZLUSKXDCJBQ-AVJYTDLHSA-N 402.623 4.580 0 1 HJAF COc1ccc(-c2oc3c(CC(=O)O)c(OC)ccc3c(=O)c2-c2ccccc2)cc1 103263505 APVZHVOOASDLMI-UHFFFAOYSA-N 416.429 4.771 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccccc3F)cc2)c2cc(C)ccc2n1 141823450 BQKLYPNRJIXLKP-UHFFFAOYSA-N 415.472 4.983 0 1 HJAF CCc1nn(Cc2ccc(NC(=O)c3ccc(C)cc3C)cc2)c(CC)c1CC(=O)O 168882390 PQVWUSYHRYNEED-UHFFFAOYSA-N 419.525 4.552 0 1 HJAF Clc1ncc(I)c2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586886721 GPSVDNRHAVJSAQ-DIFFPNOSSA-N 421.669 4.587 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 586917771 UXRFOPVQASXUKZ-BLVKFPJESA-N 403.251 4.681 0 1 HJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 586981295 OEBQUGVAUIWSJR-UHFFFAOYSA-N 421.298 4.976 0 1 HJAF CCOC(=O)Cc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586995111 DDSSWPBKJALYMC-UHFFFAOYSA-N 417.303 4.745 0 1 HJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587116366 FGHICADDVYMSKO-UHFFFAOYSA-N 415.547 4.676 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1 587126160 WISQOEWDKZMKNN-UPONEAKYSA-N 418.192 4.636 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1 587126853 NMPHBUVCPBJLNQ-JMCQJSRRSA-N 405.302 4.633 0 1 HJAF C[C@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349698 JENGUCUNYHYKNV-ILBGXUMGSA-N 420.436 4.782 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587350606 XNOMXEHBUJAIIE-QPPBQGQZSA-N 400.409 4.557 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@@H]1c1ccc(F)cc1 587356174 ZCSSEVRKKPPABU-VSMPSKEHSA-N 422.452 4.540 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O 587448203 AJGOCMKUKODIRB-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF CC(=O)c1cccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587569513 QNGSBEQSZOONFP-FPOVZHCZSA-N 406.409 4.697 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@H]1CCOC1)c1ccccc1 587616431 JYGMLQULXYUISU-MCCOCYNGSA-N 402.446 4.676 0 1 HJAF C[C@@H]1CCCC[C@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657968 HCMXDZVPWVNXDM-BFUOFWGJSA-N 413.493 4.643 0 1 HJAF CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C 587772101 VBGKBSRIZOCWCL-SBKAZYGRSA-N 405.311 4.600 0 1 HJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587789106 BYZMQNGHORWMCE-APBUJDDRSA-N 404.283 4.544 0 1 HJAF Cc1cnc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587854987 SREISPVHPOJDKZ-QGHHPUGFSA-N 406.324 4.767 0 1 HJAF Cc1cc2c(cc1F)[C@@](C)(c1cc(Br)ccc1OC(F)F)NCC2 962302329 SSJKVQPYGDSFRG-SFHVURJKSA-N 400.238 4.907 0 1 HJAF COC(=O)Cn1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(-c2ccccc2)n1 962665945 LQJCYCMOUMHXAP-MHZLTWQESA-N 423.516 4.625 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCCCC1 1772632594 ORBQTKSTKCWRMJ-UHFFFAOYSA-N 400.523 4.597 0 1 HJAF COc1ccc([C@H]2c3ccc4ccccc4c3Oc3[nH]c(=S)n4nnnc4c32)cc1 1857565102 LRAPNURENAQVOI-KRWDZBQOSA-N 413.462 4.630 0 1 HJAF c1ccc(Cc2cnc(N3CCN(Cc4csc5ccccc45)CC3)nc2)cc1 95603734 JKBBXQWSUXYSFY-UHFFFAOYSA-N 400.551 4.604 0 3 HJAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NCCc3ccccc3)C2)c(C)o1 5055824 JIPLIPDIWOIHNY-QFIPXVFZSA-N 417.553 4.529 0 1 HJAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc(Cl)cc(Cl)c1 13601664 LVEWJRZGWWMKKI-HXUWFJFHSA-N 424.287 4.539 0 1 HJAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCCC1 13803324 MRGFIKKMPYGMGF-UHFFFAOYSA-N 416.884 4.649 0 1 HJAF COc1cccc(-c2ccc3c(n2)CCc2c-3nc3ccc(F)cc3c2C(=O)O)c1 26847675 OCFTYEKYKSNEGL-UHFFFAOYSA-N 400.409 4.908 0 1 HJAF COc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1OC 28826829 LMIOTSFPBCRBGK-UHFFFAOYSA-N 400.477 4.839 0 1 HJAF C[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1 40379747 BJULBAQIZYUYFI-JTQLQIEISA-N 417.286 4.895 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2C[C@H]2C)cc1Cl 42921014 DRKZJUOFSWGWDD-ILRUXTBWSA-N 406.375 4.624 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc(C)c1 82146803 UWFFSMUAHVXBID-GOSISDBHSA-N 418.541 4.644 0 1 HJAF O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCC3 95605233 HVWUZFNJGPRSAK-UHFFFAOYSA-N 420.415 4.510 0 1 HJAF O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929568 OMFZHJNGAXURSE-PWRODBHTSA-N 413.359 4.824 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@@H](F)[C@@]4(O)CC(=O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141095353 VIFFEHIQPNWLHS-BMAXIUFQSA-N 401.497 4.889 0 1 HJAF CC[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 168356975 IADBLMLHTCHVGC-IBGZPJMESA-N 412.392 4.731 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)c(F)c3)cc21 204545328 POVUPJXKVTVHPK-UHFFFAOYSA-N 410.376 4.921 0 1 HJAF NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(-c3ccccc3)cc12 223897713 HIIPZOQRFDBJLI-VWLOTQADSA-N 424.435 4.644 0 1 HJAF S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 504771443 LJMIHNWGPQSCOB-USNOLKROSA-N 402.007 4.932 0 1 HJAF biogenic CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1 587130319 KVBGZDHYPOJVCG-JXMROGBWSA-N 416.424 4.839 0 1 HJAF COc1cc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587350153 JZQXLGDNHDZOLX-NOZRDPDXSA-N 422.452 4.996 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Br)ccc1O)O2 587377879 PNCLYMZKBKODFI-JOCHJYFZSA-N 424.294 4.954 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(F)cc(Br)cc31)CC2=O 587472829 VUFKWDJWXCEWPK-FQEVSTJZSA-N 421.262 4.890 0 1 HJAF Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577708 LHKGZQQFLJCPNB-ZEQKJWHPSA-N 409.441 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1 587728135 CWVPXACZZGGKOI-MPBGBICISA-N 424.285 4.760 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3cccc(F)c3)CC2)N1 587728971 GFSCIALOUUVCDS-GQKRIFGNSA-N 422.313 4.919 0 1 HJAF CCc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587743958 QIGBZNVUNHLZJM-ZSEKCTLFSA-N 419.338 4.929 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802320 LDPVWZQFZRHBFH-GIPWTMENSA-N 416.294 4.611 0 1 HJAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3cnc(Cl)cc3c2)N1 962698551 MZTGJEPHGQXWKV-SJLPKXTDSA-N 424.781 4.734 0 1 HJAF CC(=O)Oc1ccc([C@]2(c3ccc(Cl)cc3)NCCc3c2c(C(C)C)nn3C)cc1 962922428 WZJAFOKCTQJULJ-DEOSSOPVSA-N 423.944 4.560 0 1 HJAF FC(F)(F)c1cccc2c1[C@](c1ccccc1)(c1ncco1)NCC21CCOCC1 962946770 AQXZVVBVRWHLJJ-JOCHJYFZSA-N 414.427 4.637 0 1 HJAF Cc1ccn2c([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c(C)nc2c1 962951342 GOIFSGMTUCCDGS-FQEVSTJZSA-N 415.459 4.711 0 1 HJAF CC(=O)c1ccc(NC2=C(Cl)[C@@]3(C[C@H](C)C2)NCCc2nc4ccccn4c23)cc1 962981032 CRLDUUAUPQBHPQ-OYLFLEFRSA-N 420.944 4.870 0 1 HJAF CC[C@]1(c2ccc(OC(F)(F)F)cc2)NCCc2cnc3c(OC)cccc3c21 963048107 RXVBTSFJQYXCEG-OAQYLSRUSA-N 402.416 4.941 0 1 HJAF COc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc(C(F)(F)F)c1 1857540057 BBQUTCSXVDKLHE-UHFFFAOYSA-N 417.387 4.895 0 1 HJAF Cn1c(=O)c2c(c3ccccc31)[C@H]1c3c(O)nc4ccccc4c3OC(C)(C)[C@@H]1C=C2 2356438747 QQEGIBWXOKMXRY-UTKZUKDTSA-N 410.473 4.738 0 1 HJAF C[C@H](O)C[C@H](O)C[C@H]1CCCCCCCCCCCCCC[C@H](O)C=CC(=O)O1 2356866386 WFHNHKIPMIIXND-CWBXHPNXSA-N 412.611 4.812 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F 4049531 BDYSUNLBKWDTPA-HKUYNNGSSA-N 419.294 4.596 0 1 HJAF O=C([C@H]1CCCO1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 5146121 DROZTTLBYZZCLT-XMMPIXPASA-N 413.521 4.737 0 1 HJAF Cc1cn(-c2ccc3c(C)nc(CCCCCCC(=O)c4ccccc4)n3n2)cn1 5892895 AXYBRSVZKOTFTM-UHFFFAOYSA-N 401.514 4.908 0 1 HJAF CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12 7997538 LXMSZDCAJNLERA-FZLMMPSQSA-N 416.583 4.852 0 1 HJAF O=C(OCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 27558596 FXVRQWNNZOUXJS-UHFFFAOYSA-N 416.993 4.612 0 1 HJAF C[C@@H]1OC(=O)[C@H]2[C@H]1[C@@H](O)C[C@@H]1[C@]2(C)[C@H](O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 44093748 BOVSVCDCMFPWKD-XDAYVRRPSA-N 418.618 4.565 0 1 HJAF CCc1cc(Br)c(CNCCCNc2cc(=O)c3ccccc3[nH]2)s1 45191900 FVRHNNDNTSRUPF-UHFFFAOYSA-N 420.376 4.506 0 1 HJAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c(Cl)c[nH]c34)n2)c1 64527372 UJVWNWYEQRTGBS-UHFFFAOYSA-N 413.890 4.502 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 73223102 BZTBTDRFHLJMDM-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82146484 CEKHETZPGRPAQG-PMACEKPBSA-N 406.574 4.806 0 1 HJAF CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2C[C@@H]1CCCO1 82186745 RAXULERQUIUGFB-ICSRJNTNSA-N 407.562 4.954 0 1 HJAF CCOc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1OCC 84596945 NJDCTFYNTHRTMS-UHFFFAOYSA-N 421.453 4.700 0 1 HJAF COc1ccc2cc1OCC/C=C\CN(C)Cc1cccc(c1)Nc1nccc-2n1 137309874 LMHRITSLHYFYAE-ARJAWSKDSA-N 402.498 4.666 0 1 HJAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cccnc4)ccn23)c1 147237264 ZLMFMCAAXFMGPC-UHFFFAOYSA-N 411.387 4.747 0 1 HJAF Cc1cc(C)c(/C=C\[P@@](=O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 169728589 PCUNTERTXDNUKB-SREVYHEPSA-N 404.374 4.703 0 1 HJAF COc1cccc(OC)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 219417409 BTTXIJRLJKSCBW-INIZCTEOSA-N 401.459 4.881 0 1 HJAF C[C@@H]1Cc2c(nnn2-c2ccccc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 226009010 CJGVMBDHPYMJDI-GFCCVEGCSA-N 420.822 4.527 0 1 HJAF CC(C)=C1C[C@H]2O[C@@H]3CC(=O)O[C@@]4(CC[C@@]5(C)[C@H](c6ccoc6)CC(=O)[C@H]5[C@]24C)[C@]13C 238767535 UFKBHGSCOKYVMC-CFNYHYSTSA-N 424.537 4.958 0 1 HJAF OCc1ccccc1-c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 586894926 GYSCHOOQWSWOSC-UHFFFAOYSA-N 404.779 4.803 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586917497 STQBNKCUZFMFAX-CJAUYULYSA-N 412.493 4.611 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)c1C 586947490 PBRQKWIJIAQASY-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF Cc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2n1 587062671 ZWBLOOYINKARLO-UHFFFAOYSA-N 402.889 4.997 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2C1 587107465 SGIYREDMPAWVNS-KSSFIOAISA-N 412.489 4.953 0 1 HJAF CC(C)[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OC(C)(C)C 587198346 YYNQSGNIYKFPLW-SECBINFHSA-N 407.824 4.541 0 1 HJAF Clc1c(Br)cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587231654 DDLCGSGTSJOPTA-UHFFFAOYSA-N 417.694 4.924 0 1 HJAF CC(C)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338942 QSLTXXCXEOJOAR-ILBGXUMGSA-N 405.469 4.784 0 1 HJAF COc1cc(C)cc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356156 IUQXGNFDEDRUTP-RDGATRHJSA-N 420.436 4.885 0 1 HJAF COc1cc(Br)cc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587372281 PAJMVIWXVNJDSP-HXUWFJFHSA-N 416.271 4.975 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)N(C)C)cc3)cc1)O2 587385062 BGVDZJHJPWPBFM-HSZRJFAPSA-N 400.478 4.653 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCc4cc(NC(=O)OC(C)(C)C)ccc41)[C@@H](C2)C3=O 587426899 AMZGXRUYBLGVMJ-UUOWRZLLSA-N 407.466 4.631 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O 587442792 LWFYOKDEWNWWOJ-RXFWQSSRSA-N 416.473 4.946 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O 587449666 CICADOGFJPCMNT-BVZFJXPGSA-N 417.530 4.909 0 1 HJAF C[C@@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605202 BLHZWIKOKHTYIJ-XXBNENTESA-N 422.458 4.603 0 1 HJAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(Br)cc1 587623754 OLMZYVCFBAKLLR-UHFFFAOYSA-N 406.663 4.910 0 1 HJAF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2c(C(=O)O)cccc12 587637876 GGWYMUALXWDGRP-UHFFFAOYSA-N 408.841 4.974 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)cccc2Br)N1 587681913 YKCRDGKNRBTFNQ-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCNCC2)N1 587728656 BDBQVTCJLWPPSH-ASSNKEHSSA-N 421.329 4.505 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cnn(C)c3)c2)N1 587761174 STRHRSZMCGQPPG-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCCN2)N1 587789681 BHRMXWGUNJVBQI-IFZYUDKTSA-N 403.339 4.508 0 1 HJAF COc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805662 HBSAOBZGCOVKFJ-MPBGBICISA-N 408.311 4.712 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587808313 YGLFTZREIPDWEZ-GIPWTMENSA-N 416.294 4.611 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2 587833801 OYIJKIBMXDCUQS-IDFMNXDXSA-N 420.322 4.934 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CC[C@@H](C)C2 587869214 CPWDXECSBFELMV-LLVKDONJSA-N 421.444 4.847 0 1 HJAF O=C(O)/C=C/C=C\c1nc2c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cccc2[nH]1 587968694 OAPMCZCEUHSLEU-BHYIOOLYSA-N 419.334 4.627 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@@]1(c1ccc(C)c(C)c1)c1ccccn1 961329309 YBXSFSKLWCGSST-MHZLTWQESA-N 416.565 4.894 0 1 HJAF COc1ccc(-c2c(Nc3ccc4c(c3)OCO4)c3ccc(OC)cc3oc2=O)cc1 1772634657 OXVBQBAUDVWNPI-UHFFFAOYSA-N 417.417 4.950 0 1 HJAF Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(F)c2F)cc1 1857745470 DJMDFEZGSLBJRP-UHFFFAOYSA-N 405.441 4.803 0 1 HJAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCc2ccccc2OC)cc1 774380 BOTZRIMYWKMQCH-UHFFFAOYSA-N 404.422 4.549 0 1 HJAF COc1ccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 13727118 XLPSWGBAPKTYBI-KEBDBYFISA-N 412.445 4.767 0 1 HJAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1ccc(F)cc1F 13747588 BLBLHUQQROZWAK-UHFFFAOYSA-N 413.442 4.624 0 1 HJAF COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc(OC)c1OC 14435658 RKSBJQZDPAGEQW-BKOMJCAWSA-N 416.470 4.535 0 1 HJAF CC1(C)CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCCO 22937994 LYDWOPLSIWWSOT-GMAHTHKFSA-N 416.968 4.834 0 1 HJAF CN(C)C12CC(=O)NC([C@@H](c3ccc(Cl)cc3)C1)[C@@H](c1ccc(Cl)cc1)C2 40576558 UYXHIZLUTYUOHZ-RVEPMOMFSA-N 403.353 4.844 0 1 HJAF COc1ccc([C@@H]2Oc3cc(OCc4ccccc4)ccc3C[C@H]2OC(C)=O)cc1 45348654 FGLQRTGJVNDZMM-RPBOFIJWSA-N 404.462 4.882 0 1 HJAF C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 72315266 KRDULPYOVRWKMA-NSHDSACASA-N 419.851 4.929 0 1 HJAF CN1CCN(c2ccc(Nc3nccc4[nH]c(-c5cccc(F)c5)cc34)cc2)CC1 82081756 CWLHZAXABVSXPS-UHFFFAOYSA-N 401.489 4.864 0 1 HJAF CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)CC1 82217013 CEPBYOMWDDANGY-UHFFFAOYSA-N 410.537 4.829 0 1 HJAF CCCc1nc(N2CCN(c3ccccc3)CC2)nc2c1Nc1ccccc1S2 98083863 IYHXJDKANDBYQG-UHFFFAOYSA-N 403.555 4.964 0 1 HJAF FC(F)(F)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 139355419 LORJJIYHDKYRTE-UHFFFAOYSA-N 407.399 4.709 0 1 HJAF COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cc[nH]c(=O)c2)cc1F 143194953 GIJKDQHCVRCMIN-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(F)F)no2)cc1C#N 198834458 IVXNURBUWMRJKE-LJQANCHMSA-N 424.451 4.904 0 1 HJAF CCN[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 254092532 KECJUZXONYNDMK-HDJSIYSDSA-N 402.905 4.598 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnc4ccccc4c3[nH]2)cs1 587019801 WRJWQSXVLYLMOQ-UHFFFAOYSA-N 400.467 4.802 0 1 HJAF CC[C@@H](c1nc2ccc(Cl)c(C)c2[nH]1)n1cc(I)c(C)n1 587184566 CHCAHWSHENEFPS-ZDUSSCGKSA-N 414.678 4.634 0 1 HJAF COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3cccc4c3c(c2C1)CC4 587207669 INLBAHXFRWIWDO-QHCPKHFHSA-N 422.322 4.696 0 1 HJAF CCOC(=O)C(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC 587363245 QBZUMAPHSSRMEH-UHFFFAOYSA-N 417.461 4.894 0 1 HJAF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1-c1cccc(C(F)(F)F)c1 587368977 YYXTYHLCYZHZAR-UHFFFAOYSA-N 413.355 4.797 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccccc2Cl)c2ccccc21 587379447 UXNNLNDGXTWKSD-DEOSSOPVSA-N 418.880 4.638 0 1 HJAF COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415634 WHPJLQOFANOWDZ-DEOSSOPVSA-N 420.534 4.627 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)C(F)(F)F)c1)CC2=O 587463383 YIUASFYONCFDPX-HXUWFJFHSA-N 407.388 4.726 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@@](F)([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508136 SEFRUMFSECDXSK-GOTSBHOMSA-N 403.494 4.638 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1OC(F)(F)F 587557108 QDFCCOKMVKEUGU-PXNSSMCTSA-N 418.323 4.699 0 1 HJAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl 587692109 JUKZCTJUYUJXGM-LZVRBXCZSA-N 413.718 4.630 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc3c2OCOC3)N1 587695128 IGGYDKOVPGBPBY-VVVCHXIZSA-N 412.686 4.732 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1 587709048 HMRHSABWTNVGNM-ABKXIKBNSA-N 404.201 4.634 0 1 HJAF COc1ccc2[nH]cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587801095 DMRGLNUFXUDVNO-BIBXISHDSA-N 403.295 4.876 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(c2ccccc2)N1 587815874 QVXWWLFJXMYJPP-ZSEKCTLFSA-N 402.307 4.735 0 1 HJAF COc1ccc(/C=C/Cc2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c1 587930213 QXXBUGORXJMQRR-ONEGZZNKSA-N 408.683 4.647 0 1 HJAF COc1cccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587932292 RZPRHMXMDINIRK-UHFFFAOYSA-N 401.182 4.823 0 1 HJAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCCCc1ccccc1 587946649 YHSKXHNNBLCRDN-IBGZPJMESA-N 402.397 4.828 0 1 HJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587952895 XNEFWSTYPUZMDO-OZVIIMIRSA-N 404.454 4.903 0 1 HJAF CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 653795838 SSJJIFZXHNUUQB-UHFFFAOYSA-N 409.530 4.749 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](c1cn(-c2ccccc2)nc1-c1ccco1)NCC3 963052743 GYMTVDHPXWCVBA-AREMUKBSSA-N 422.488 4.924 0 1 HJAF CCCCO[C@@H]1C[C@@]2(N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)C1(C)C 963170433 AKEYDTWQDRQXRU-KSMMKXTCSA-N 419.871 4.768 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC(F)(F)C1 1772595618 FJHABEQXOGLWAA-UHFFFAOYSA-N 423.341 4.922 0 1 HJAF Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12 1772649425 WCEIICCCLMBZPU-UHFFFAOYSA-N 419.669 4.829 0 1 HJAF CCCc1oc(CCCCCCCCCCC(=O)[C@H](CO)NC(C)=O)c(C)c1C 13382608 YPJUZEMVAYYXAV-NRFANRHFSA-N 407.595 4.968 0 1 HJAF biogenic Cc1noc(NS(=O)(=O)c2cccc3c(NCc4ccccc4)cccc23)c1C 13741057 FBAVPJLJEZFHAP-UHFFFAOYSA-N 407.495 4.858 0 1 HJAF COc1cccc(CN2CCC[C@@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1OC 20449889 CMHYIGGSTOLLKE-LJQANCHMSA-N 421.516 4.988 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)Sc4ccccn4)[C@@H]3CC[C@H]12 26396385 IVMOGXVDSLYJFW-YPEQBFAESA-N 424.610 4.956 0 1 HJAF COc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189174 FFFBLUYUGVALAT-CMHYOEHMSA-N 422.569 4.547 0 1 HJAF Cc1cc2nc(NCCCO)n(CC(=O)c3cccc(OC(C)(C)C)c3)c2cc1C 53293798 LBTPYQOTDAZEDR-UHFFFAOYSA-N 409.530 4.508 0 1 HJAF O=C(NCCCc1ccncc1)N(CCC1CCCCC1)CCN1C2CCC1CC2 58602906 RDMYSFFFSNNJOT-UHFFFAOYSA-N 412.622 4.623 0 1 HJAF Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC4CC4)ccc3n2C[C@H](C)O)c1 66099830 KVBLKZMZGLZYPJ-SFHVURJKSA-N 404.554 4.862 0 1 HJAF COc1cc(C(=O)c2nc(-c3ccccc3)cn2-c2cccs2)cc(OC)c1OC 95582782 JMSIBGPHQDDXMV-UHFFFAOYSA-N 420.490 4.858 0 1 HJAF Nc1sc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1 103143200 OPWHUVSPMOMECZ-UHFFFAOYSA-N 416.905 4.929 0 1 HJAF CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4(C)CC4)cc3)C2)ccn1 169709432 UDIUXULTBGRLJA-PGRDOPGGSA-N 423.557 4.504 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@]34C)N2C1 257373596 AANKDJLVHZQCFG-PAQNXHEHSA-N 413.646 4.626 0 1 HJAF Oc1cccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 586897204 UNLJVLREWOIENX-UHFFFAOYSA-N 401.182 4.715 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)cc1 586909566 YOYLUCZJNWMPSZ-OAHLLOKOSA-N 416.433 4.723 0 1 HJAF COc1ccc2c(C)c(CCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(=O)oc2c1C 586918236 KMRRLTZCKDRWAH-UHFFFAOYSA-N 420.362 4.636 0 1 HJAF Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1Cl 586967606 BRUXMYMLYCBTNH-UHFFFAOYSA-N 424.839 4.812 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cccc(O)c3[nH]2)cc1OC 587057727 QULICMSBVDKRGM-UHFFFAOYSA-N 423.856 4.858 0 1 HJAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 587069458 BBBIDHIEJZWSIN-UHFFFAOYSA-N 408.252 4.574 0 1 HJAF CC[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)n1cc(I)c(C)n1 587184058 CBIVTYYYUFQDDJ-OAHLLOKOSA-N 422.314 4.969 0 1 HJAF CCOP(=O)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC 587359508 HWSMJOOKSOEBNG-FPOVZHCZSA-N 422.389 4.915 0 1 HJAF CN(C)Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587378094 UJNUVFODZCIMLO-FYYLOGMGSA-N 411.498 4.929 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCc4ccccn4)c(C)c1)[C@@H](C2)C3=O 587437284 ZCMFOFNANUEFML-CPJSRVTESA-N 401.462 4.775 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OC(F)(F)F)c1 587554979 JZEPVKYNVSIHAC-PXNSSMCTSA-N 418.323 4.699 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587581887 XNJXTQVDLPEOSF-RDGATRHJSA-N 417.461 4.758 0 1 HJAF CC1(C)[C@H](Oc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600173 MNHMNWIURQJIEO-OTPAQWSUSA-N 402.446 4.970 0 1 HJAF Cc1csc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587613376 OKMYBMMYYKNEKT-RXVVDRJESA-N 404.447 4.651 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)c1 587613624 OHTXXAXIMIOZSS-QAPCUYQASA-N 403.253 4.919 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C 587692150 AAFKSCXRRMBAQR-KFTBIWSRSA-N 424.697 4.575 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(O)c2)N1 587720184 SCGKMSVMIJRJFQ-PWJLMRLQSA-N 402.210 4.519 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN(Cc3ccccc3)C2)N1 587759317 FTMQGAZOGWYIFA-FNXXIHLHSA-N 403.339 4.686 0 1 HJAF Cc1ccc(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587759731 MLKVLTLRQCIMSG-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587795251 NUJWAYSNULZXKD-WSVYEEACSA-N 417.322 4.616 0 1 HJAF CCOc1c(OC)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587803592 XPCJCAWZFAYOIQ-NSPYISDASA-N 424.310 4.628 0 1 HJAF CCC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804661 CCBLPBYSLKHVDZ-YBTHPKLGSA-N 422.294 4.536 0 1 HJAF COc1ccc(OC)c2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587806732 ISOKEUBDKKGTIZ-QKVFXAPYSA-N 420.322 4.720 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587836539 WHYFOEPTGGLWNS-GAVVMKISSA-N 404.279 4.780 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccccc2C(=O)O)N1 587846760 RMEGRDOXAMMXQY-JEOXALJRSA-N 424.335 4.828 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccnc3)s2)N1 587853428 MWQSAWBEWAGCEE-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3sccn23)N1 587857962 WLPXMFAWEZKUPW-ZKANADHPSA-N 414.731 4.749 0 1 HJAF CC[C@@]1(Cc2nc3c(F)cnc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587960620 MUUVTBPHVOTMDS-IBGZPJMESA-N 402.267 4.628 0 1 HJAF CCC[C@H]1O[C@H]2c3ccc4c(c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)OCC)OC(C)(C)C4 618016777 DFTKIROWQVVFOE-XFKSJGNHSA-N 402.531 4.997 0 1 HJAF Cc1nc([C@H]2c3ccsc3CCN2Cc2cccn2C)sc1Br 962376278 VFFIMDCOAPKHGV-OAHLLOKOSA-N 408.390 4.762 0 1 HJAF CC(C)CCn1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962636730 OIRNPOONEFISRM-JYFHCDHNSA-N 400.570 4.766 0 1 HJAF Cc1cc2c(cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n2C)c(Cl)c1Cl 1857540369 NYSWAQMCNYWFNU-LLVKDONJSA-N 405.281 4.983 0 1 HJAF Brc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1 721181 MRYDXMIUFMHLSD-UHFFFAOYSA-N 413.344 4.521 0 3 HJAF aggregator CCN(CC)C(=O)c1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)c1 61926068 YGCVNXHEPINKDV-DEOSSOPVSA-N 421.566 4.692 0 3 HJAF CC(C)=CCc1cc([C@@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)c(O)cc1O 5492971 BAKSOIVZFARRJC-KRWDZBQOSA-N 422.477 4.855 0 1 HJAF endogenous,in-man COC(=O)[C@@H](NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1 13762424 UFGKYXQJYBSGBA-DEOSSOPVSA-N 422.484 4.645 0 1 HJAF COC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 26145899 JOHBFPYLJYNSHP-HKUYNNGSSA-N 405.535 4.614 0 1 HJAF C[C@]1(c2ccc(O)c(Br)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978592 FDWPVMCZIQXWLZ-MRXNPFEDSA-N 415.070 4.554 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2[C@H](C)CCC[C@H]23)cc1 31900102 JQULSAYEPOTISD-FWDPKOCDSA-N 414.505 4.983 0 1 HJAF CC1=C(CC/C(=C/C[C@@H](O)C2=CC(=O)OC2)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 34626452 QNKXTVCLBCSBNT-CLIBVECOSA-N 402.575 4.862 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccccc3C)[C@@H](O)c3ccccc3)CC2)cc1 39239001 UIURCITXSXLLPS-SXOMAYOGSA-N 416.565 4.596 0 1 HJAF COc1ccc([C@H]2CC(Nc3nc4ccc(Cl)cc4s3)=NN2C(C)=O)cc1 45255237 VVIHUSLFRFBBGK-MRXNPFEDSA-N 400.891 4.677 0 1 HJAF CC[C@@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O 49034980 VHTWPNYYWWWWAZ-ZDUSSCGKSA-N 419.259 4.960 0 1 HJAF CC(C)(C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2 64491760 NAKVZBYNDIOTLA-OAQYLSRUSA-N 422.422 4.841 0 1 HJAF O[C@@H](CNCc1ccc(C(F)(F)F)cc1)Cn1c2c(c3ccccc31)CCCC2 73170204 WGZSRVNRNZRESC-SFHVURJKSA-N 402.460 4.690 0 1 HJAF COc1cccc(-c2cc3c(Nc4ccc(C(=O)N(C)C)cc4)nccc3n2C)c1 82078238 NYUFHLIEGPIXEG-UHFFFAOYSA-N 400.482 4.694 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)o1 82140440 LJYSQLWMSFCOKT-IYBDPMFKSA-N 422.504 4.914 0 1 HJAF COc1ccc(C(=O)N(CC[C@H]2CCCN2C)C/C(C)=C/c2ccccc2)c(OC)c1 84604301 KWLFLMLHIOMEHW-YMQJMOIJSA-N 422.569 4.734 0 1 HJAF COc1cc([C@@](C)(O)c2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 96168108 FWIIFTFKUCLUKC-VWLOTQADSA-N 414.509 4.510 0 1 HJAF CCC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1 114712988 YZVYKVIOBHNZMX-UHFFFAOYSA-N 411.546 4.625 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]2CN(c3nc4ccccc4o3)[C@@H]2C1 116827759 YFDJIMJVVGFZJM-AUSIDOKSSA-N 409.489 4.846 0 1 HJAF Cc1cc([C@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)C(C)C)ncc2c1 144338706 VAGKNGZZTCJYNV-IBGZPJMESA-N 403.404 4.795 0 1 HJAF COc1cc(/C=C\c2nc3c(C)c(Br)cnc3[nH]2)ccc1Br 586975736 FFZAWGJZBVXMKV-XQRVVYSFSA-N 423.108 4.970 0 1 HJAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(N)=O)cc2[nH]1 586981386 KBYMFDBQEQSZFE-UHFFFAOYSA-N 402.292 4.516 0 1 HJAF O=NN(CC(=O)O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103968 LKCBQJBLWGVQKU-UHFFFAOYSA-N 409.401 4.686 0 1 HJAF Nc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1N1CCOCC1 587106738 MJYJVNFXNLOJFZ-UHFFFAOYSA-N 407.473 4.532 0 1 HJAF N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587155683 KAXJLQFMCCFAGL-BZNIZROVSA-N 414.200 4.825 0 1 HJAF O=C(Nc1cccc(-c2nc3cncc(Br)c3[nH]2)c1)c1ccc(F)cc1 587162020 AZEDEAONAUZWCM-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc(C)cc3)cn1C)CC2=O 587468865 BOTQJOWSESQKDP-HSZRJFAPSA-N 403.478 4.929 0 1 HJAF COCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(OC)ccc21 587513542 CAXJPUBVAAFXDL-XMMPIXPASA-N 405.494 4.882 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC[C@@H]2CCCO2)c1 587615787 HLIJBMJLUIFUFL-PZGSVQSZSA-N 418.445 4.653 0 1 HJAF CCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587717864 GVUSXQCZNWCZMH-PSLIRLAXSA-N 420.248 4.837 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2-n2cccn2)N1 587728790 FQZPEUCOEGNRCW-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742582 SHJVEZIDTPOZIH-MEDUHNTESA-N 415.347 4.809 0 1 HJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1 587757292 GWPWIQCWLURBDV-ZSEKCTLFSA-N 414.322 4.921 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C2CCCCC2)N1 587761621 BGRBJSLNRBSTEG-ODXCJYRJSA-N 406.343 4.993 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H]3CCC[C@@H](C)C3)CC2)N1 587765925 FEFSQCXWMCBEBK-HLLBOEOZSA-N 409.387 4.992 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800683 YGCLKCVVCMCOLW-ZUOKHONESA-N 412.343 4.851 0 1 HJAF COc1ccc2c(c1OC)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587806346 IAFHSHGJUHWYJW-QKVFXAPYSA-N 420.322 4.720 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C)c(C)c1C 587860617 ZKXIKQLDDLKWAP-UHFFFAOYSA-N 407.301 4.718 0 1 HJAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2C)c(OC)c1 587928457 DCCUGAMLIVPNPJ-UHFFFAOYSA-N 402.450 4.994 0 1 HJAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc3cccnc3c2)N1 963179603 MKOCCCFLTJXMGM-QAPCUYQASA-N 406.791 4.595 0 1 HJAF Cc1cccc2c1[C@@H](c1ccc3c(n1)CCC3)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963856232 VBZQENDHYAALBW-WZONZLPQSA-N 422.525 4.605 0 1 HJAF c1ccc2c(=NCCc3c[nH]c4ccccc34)[nH]c(Nc3ccc4n[nH]cc4c3)nc2c1 1857628723 XCUFKEUWKWBESN-UHFFFAOYSA-N 419.492 4.808 0 1 HJAF CCC=CCC1=CCO[C@@H]2[C@H](CCOC(=O)c3ccccc3)C[C@H](C(=O)OC)C[C@H]12 2356785432 AEWFWIVASICADC-KAOXLYBCSA-N 412.526 4.730 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214695 SSSPUMHMRBAFST-GFOJFJKKSA-N 424.944 4.913 0 1 HJAF C[C@H]1CCC[C@@H](NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C 6932626 ZRHSCMXFOILLCB-VQDLLJBESA-N 403.513 4.846 0 1 HJAF COc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)o2)cc1 28951937 BMSYSQKSHABHAP-SFHVURJKSA-N 407.466 4.785 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(F)cc1 36189115 QRXQUYSQEGNIRQ-MNLGXKRNSA-N 410.533 4.678 0 1 HJAF COC(=O)c1cccc(-c2ccc(C(=O)CCCCCCc3ccccc3)nn2)n1 40917910 WWKFGEWOWBTGQA-UHFFFAOYSA-N 403.482 4.701 0 1 HJAF CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)Nc1ccccc1)C1CCCCC1 72105333 UEVNRYFCEVFJIY-UHFFFAOYSA-N 407.543 4.501 0 1 HJAF CN(CC(=O)NCCC1=CCCCC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085633 UUKXOLJLFNOJLW-UHFFFAOYSA-N 417.962 4.542 0 1 HJAF COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nc(C)cs3)nc3ccccc32)cc1 84587063 SNQWHPKHTONKLP-AWEZNQCLSA-N 424.551 4.918 0 1 HJAF O=C1N(c2ccccc2Cl)c2cscc2S(=O)(=O)N1Cc1ccccc1 103274831 ROODKBHYPFLEDL-UHFFFAOYSA-N 404.900 4.864 0 1 HJAF CC(=O)O[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 117381205 AWLCYEPZJUNGKS-OAQYLSRUSA-N 403.438 4.613 0 1 HJAF O=C(c1ccc(Oc2ncccc2-c2ccnc(O)c2)cc1)c1nc2ccccc2[nH]1 139610494 AVFVEEUYWULJKG-UHFFFAOYSA-N 408.417 4.749 0 1 HJAF COc1cc(F)ccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167161312 JPVQRTHHGCIQAP-HOTGVXAUSA-N 401.331 4.545 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCSc5ccccc54)ncc23)ccn1 261158095 QIPUETNYTWMGBZ-QGZVFWFLSA-N 416.510 4.687 0 1 HJAF COc1ccc([C@@H]2C[C@@]23CC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC 299849375 NOAKNKIKZJFKBA-AMIJONBRSA-N 408.494 4.732 0 1 HJAF CN(C)CCCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F 299854689 BAOKVGDZMWCKBU-UHFFFAOYSA-N 408.473 4.781 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586974046 UFKOUWXOIUEEJY-OAHLLOKOSA-N 409.433 4.572 0 1 HJAF Brc1cnc(Br)c2[nH]c(CSCc3ccsc3)nc12 587027866 TXGVJOPGMVUPEY-UHFFFAOYSA-N 419.167 4.978 0 1 HJAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F 587149924 IUKQHYWOCWMULX-HNNXBMFYSA-N 406.314 4.770 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]1(C)C3(C)C)O2 587389603 LNYWKZKIMICHFY-KMDXXIMOSA-N 414.546 4.775 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(OCC4CC4)c1)[C@@H](C2)C3=O 587421533 LOORDGBISUOCKG-YCRPNKLZSA-N 402.393 4.574 0 1 HJAF CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587451308 NAPYMJRNWVFAOB-HOYKHHGWSA-N 420.486 4.709 0 1 HJAF CN(Cc1ccccc1)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574768 YPSHGKRBLITFHI-DHLKQENFSA-N 417.505 4.881 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)cc2)N1 587745394 JQBLJNVAYIYKOP-FPTDNZKUSA-N 411.318 4.997 0 1 HJAF COc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1 653755987 PXEZZCGSOVANTH-UHFFFAOYSA-N 416.403 4.546 0 1 HJAF Cc1ccc(-c2nc([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cs2)cc1 962962851 HTPJQSNWBUOVMP-RDTXWAMCSA-N 420.868 4.738 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](CCCCCC(=O)O)(c1ccccc1F)NCC3 963049997 XRBWFYGFOIAHSX-RUZDIDTESA-N 422.500 4.807 0 1 HJAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(OC(F)(F)F)c(C(F)(F)F)c1 963128981 CHIZUHJERWYBBL-HNNXBMFYSA-N 405.294 4.537 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C(C(=O)OC)[C@@](C(=O)CCCC)(CC3)[C@@H]21 2356350637 HADAHVQGKBBPPW-KBLCWGLDSA-N 412.526 4.819 0 1 HJAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]2C(C)(C)CCC[C@]21C 2356492978 HAZCIIROBOIRCJ-QZOZEGTJSA-N 404.591 4.961 0 1 HJAF CC(=CC[C@H](O)[C@H](C)C1=CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3C(C(=O)O)=CC[C@H]12)C(=O)O 2356529483 IHZCQHAUROKVEX-LQVPPOIFSA-N 416.558 4.824 0 1 HJAF COc1ccc(NC(=O)c2nc(C)c([C@@]3(C)CC(c4ccccc4)=NO3)s2)cc1 13478240 AGUJIMPYMUZLNS-JOCHJYFZSA-N 407.495 4.752 0 3 HJAF Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)cc1 61926900 JRBIYDDFZGAPGA-UHFFFAOYSA-N 421.349 4.812 0 3 HJAF O=C(OCc1ccccc1)N1Cc2ccnnc2C[C@H]1c1ccccc1Br 95599811 PTMGRYDPGBHQQD-FQEVSTJZSA-N 424.298 4.675 0 3 HJAF Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@@H]2C(=O)NC(C)C)cc1 103054188 QHIVQRQVYLSJBB-XMMPIXPASA-N 411.505 4.669 0 3 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 6069175 JCUWKPURUZEBFJ-MZXZQTHYSA-N 412.526 4.789 0 1 HJAF CO[P@@](=O)(C[C@@H](O)CC(=O)O)OCc1c(C)cc(C)cc1-c1ccc(F)c(C)c1 13889713 QRADBLNTBOOAKV-ADKRDUOOSA-N 424.405 4.610 0 1 HJAF Cc1nc(C)c(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1C 28713639 ADZCSAYTXRAOAN-VWLOTQADSA-N 420.988 4.962 0 1 HJAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ncccc2Cl)/C1=C(/O)OCCc1ccccc1 29481996 PKXAPDMIHVZMKK-HGBKYHTQSA-N 413.861 4.830 0 1 HJAF O=C(N1CCCCC1)N1CC(O[C@H](c2cccc(Cl)c2)c2cccnc2Cl)C1 73279009 ZKRZIFDRMIOIOH-LJQANCHMSA-N 420.340 4.785 0 1 HJAF COc1ccc2c(c1)c(CC(=O)O)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1 96922560 KDIVDXIRWHFVLU-UHFFFAOYSA-N 411.763 4.638 0 1 HJAF CCCCc1nc2cc(N)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 98084361 AZOSTBNINXFBNF-UHFFFAOYSA-N 423.524 4.857 0 1 HJAF Cc1ccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)cc1C 103176268 KVRCRUVCZWOASI-FQEVSTJZSA-N 408.564 4.607 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@H](F)[C@@]4(O)CC(=O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141095546 VIFFEHIQPNWLHS-CYTVEAKKSA-N 401.497 4.889 0 1 HJAF c1ccc2c(c1)OC[C@@H](COCCCN1CCC(c3nc4ccccc4s3)CC1)O2 169312209 HTXULDRXXKOBAS-LJQANCHMSA-N 424.566 4.722 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 169322989 WHWOXTLAMAZUQG-IZJYGZPVSA-N 400.607 4.894 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586882929 DAQJMNKSLTXIHT-MJAJYPSFSA-N 403.320 4.970 0 1 HJAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(CCO)cc2[nH]1 586981735 NGBJGSSZRNTUIT-UHFFFAOYSA-N 403.320 4.952 0 1 HJAF O=C(Nc1ccc(-c2nc3c(O)cccc3[nH]2)cc1)c1ccc(Br)cc1 586983604 FRHVHENBODJIFJ-UHFFFAOYSA-N 408.255 4.950 0 1 HJAF CC(C)(C)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 586998626 MPMACSRIQPLMGA-QPJJXVBHSA-N 400.276 4.917 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)c(Br)c1)[C@@H](C2)C3=O 587421758 RMWOLXZIFKHXLI-GTNSWQLSSA-N 413.189 4.965 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587479514 UELKDQAVONBEFQ-IQMFZBJNSA-N 403.519 4.716 0 1 HJAF CC(C)(C)c1nc2cncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587589196 WFKAFHDFYBWVGX-GCJKJVERSA-N 416.433 4.929 0 1 HJAF 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AGVSRBFQQOFZKY-SFHVURJKSA-N 414.328 4.899 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cc(Cl)ccc1Cl)(C(F)(F)F)NCC2 962929316 IXXBXAHOMXFZPT-SFHVURJKSA-N 417.258 4.647 0 1 HJAF COc1ccc(OCc2ccccn2)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1 963114638 WAYHXXSGPWMWRD-NLFFAJNJSA-N 404.485 4.918 0 1 HJAF Cc1ccnc([C@@]2(c3cc(Cl)ccc3Cl)NCCc3c(C(=O)O)cccc32)c1 963130989 LZQFGCVKGJJGCX-JOCHJYFZSA-N 413.304 4.833 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)c1 1857637865 BZCNXACWPMCTAU-UHFFFAOYSA-N 408.493 4.991 0 1 HJAF C[C@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 26375720 NHPBDFAJJFWJJX-HXUWFJFHSA-N 412.599 4.531 0 1 HJAF OCCCN1CCN([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 28087260 DFXIUCBFFHVYGQ-DENIHFKCSA-N 405.369 4.570 0 1 HJAF FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)[C@H]1CCCCN1 28527204 FQFUSWODGXTQQH-MRXNPFEDSA-N 406.864 4.656 0 1 HJAF CC(C)C[C@H]1C(=O)N(CC(=O)O)C[C@H](c2ccccc2Cl)c2cc(F)ccc21 71315941 MQUWWAROCCFFLW-RTBURBONSA-N 403.881 4.668 0 1 HJAF 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4.879 0 1 HJAF CCc1ccc(-c2nn(C)c(OCc3ccccc3/C(=C\OC)C(=O)OC)c2C)cc1 103193691 PZVYFTMTFJNGHV-CJLVFECKSA-N 420.509 4.697 0 1 HJAF CSC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103213868 AXYCAAREUWCJBG-GOSISDBHSA-N 410.326 4.628 0 1 HJAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(C(F)(F)F)cc4)c3C2)nc1 114998585 KPQNVEFDANSNEJ-HNNXBMFYSA-N 413.447 4.935 0 1 HJAF Cc1c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccc(F)cc2c1=O 146736442 MUHRCZIRQZGVJY-UHFFFAOYSA-N 417.362 4.786 0 1 HJAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(C(F)(F)F)c1 169723960 ZBTLHKWMVRDATP-RDJZCZTQSA-N 411.420 4.668 0 1 HJAF COc1ccc(NC(=O)Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 261170060 STHPXLQGFCUITG-UHFFFAOYSA-N 423.450 4.578 0 1 HJAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 473136137 XYYAWEJOUNEPTR-VQTJNVASSA-N 415.489 4.774 0 1 HJAF COc1ccc2c(C)c(CCc3nc4ccc(C(C)(C)C)nc4[nH]3)c(=O)oc2c1C 586918613 OYLAYLMNUUVLAY-UHFFFAOYSA-N 405.498 4.772 0 1 HJAF 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Cc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587752457 FDDDUCRELFWLLE-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF CCn1ccnc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756579 SGLKQSVUYWAWBE-LHSJRXKWSA-N 414.322 4.631 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587773631 ZYWUVDMBUZUOQR-VRDGXABNSA-N 415.350 4.612 0 1 HJAF CCOC(=O)c1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587796382 KDRZLMPCAPNQHS-ASSNKEHSSA-N 420.322 4.757 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC[C@@H]2CCCO2)N1 587833437 NDBBVSAZBUXNSH-CGSMKXTHSA-N 420.322 4.770 0 1 HJAF CCOc1ccccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861705 BRGRTJAFPVESLI-UHFFFAOYSA-N 420.387 4.695 0 1 HJAF COc1ccc(CCCc2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c1 587928527 IMMPRXYKDNTIFI-UHFFFAOYSA-N 410.699 4.566 0 1 HJAF COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C 621429855 ATAGSTZORFLDGP-HXUWFJFHSA-N 423.509 4.602 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 962892580 GHCIMEZVLCXMFY-KXBFYZLASA-N 403.862 4.912 0 1 HJAF CCOC(=O)[C@@H](C)Oc1cc(Cl)c([C@@H]2NCCc3c2sc(C)c3C)cc1OC 963021498 JNJODNROKQQDAW-BLVKFPJESA-N 423.962 4.592 0 1 HJAF COCOc1ccc([C@@]2(c3cccnc3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963098376 GPQCZGWYOUSCQY-RCZVLFRGSA-N 404.485 4.516 0 1 HJAF COc1cc2c(cc1C(=O)Nc1ccc(O)cc1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772639145 KXRJUMUBRUTCHZ-WRALFONMSA-N 409.526 4.654 0 1 HJAF Cc1c(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)[nH]c2ccccc2c1=O 1772642368 NEJAYCSBCFSYFG-UHFFFAOYSA-N 409.533 4.826 0 1 HJAF Cc1c(COc2ccc(F)c(C(N)=O)c2F)noc1-c1ccc(C(C)(C)C)cc1 1857654766 HWSRGIQWDFXRIT-UHFFFAOYSA-N 400.425 4.904 0 1 HJAF CCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCC(C)C 12725702 OTQCVVKSEBCVLA-UHFFFAOYSA-N 423.966 4.536 0 3 HJAF CCC[C@H]1[C@@H](OC(=O)NCCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205710625 KTWNNWJDDYCRBA-HXKBJWFLSA-N 412.574 4.695 0 3 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1CN1CCCC1 13726265 ATTHVGBIVYJECI-OAQYLSRUSA-N 403.353 4.758 0 1 HJAF Clc1ccccc1C1=CCc2cc(Br)ccc2N=C1N1CCNCC1 49918279 GIFQSWCISDKGAR-UHFFFAOYSA-N 416.750 4.677 0 1 HJAF COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2nccs2)c(C(F)(F)F)c1 84620017 ZEHHRWHPZDZDDX-UHFFFAOYSA-N 421.400 4.799 0 1 HJAF CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(O)ccc2c1=O 95555267 YCKFYNFETDCNEN-UHFFFAOYSA-N 401.418 4.870 0 1 HJAF CCOC(=O)c1sc2cc(OC)ccc2c1Nc1cc(OC)c(OC)c(OC)c1 95587144 WWPRUYBHBXYTBE-UHFFFAOYSA-N 417.483 4.856 0 1 HJAF NC(=O)c1cc(NCc2ccccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592861 UDGNQPOUDIEVON-UHFFFAOYSA-N 414.440 4.786 0 1 HJAF CCCCCCOc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1 136827185 YFMVNSXCQDOXTF-QHCPKHFHSA-N 408.542 4.569 0 1 HJAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NC[C@H](O)CO 139659175 HZLZMAKGSBGAAI-PJEZTNATSA-N 401.591 4.934 0 1 HJAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(C)c1Cl 142759293 WHKITXGLSAJQPM-UHFFFAOYSA-N 408.864 4.539 0 1 HJAF CC[C@@H](C)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br 168270369 YEPIOFDLMGAKEX-DJNLSKAYSA-N 415.382 4.909 0 1 HJAF Cc1sc(-c2ccccc2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1 169717290 BXZHDYPSVZQZHE-UHFFFAOYSA-N 422.506 4.860 0 1 HJAF CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)CCC(C)(C)O2 238753319 WJKQSIIVJOFWKK-MGPQQGTHSA-N 404.503 4.542 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586882928 DAQJMNKSLTXIHT-JUYXTTLDSA-N 403.320 4.970 0 1 HJAF Cc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119415 CMGSKDCMJQMOGI-UHFFFAOYSA-N 413.241 4.776 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)cc2[nH]1)c1ccccc1 587217742 FDDGQMNZERNSRZ-LJQANCHMSA-N 406.283 4.845 0 1 HJAF O=C(c1ccc(Cl)cc1Cl)c1c(CO)oc2cc(Br)cnc12 587276366 NASJUDGUKTZITH-UHFFFAOYSA-N 401.043 4.620 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccs1 587413479 OTENKJHPSQHOLK-SFHVURJKSA-N 409.463 4.573 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(Br)c1)[C@@H](C2)C3=O 587416514 CINCCQYKUNKLTN-SUMWQHHRSA-N 424.088 4.709 0 1 HJAF CC(C)(C)OC(=O)N1[C@@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587516234 AWFBUBIDTMHXCL-DVECYGJZSA-N 415.530 4.661 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl 587692695 LLLPOTIFGMFDFF-HUTHGQBESA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCN(C)C)c2)N1 587741845 PHNCEZYBQVKHSY-QKKBWIMNSA-N 421.354 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2cccn2)N1 587761737 VIVSMZJMVFWVOI-ZUOKHONESA-N 400.295 4.572 0 1 HJAF CCC(=O)[C@@H](CCC(=O)OC)[C@]1(CC)c2ccsc2CCN1Cc1ccco1 962716637 UVBBPENSGHJPDK-VGOFRKELSA-N 403.544 4.553 0 1 HJAF Cc1ccccc1C(=O)C[C@@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962894200 HVCJCTAGAQMECP-OZXSUGGESA-N 417.480 4.558 0 1 HJAF O=C1c2ccc(Cl)cc2C[C@H]1CCN1CCCN(c2ccc(Cl)cc2)CC1 1857548015 DRIAFTYDAHWRDE-MRXNPFEDSA-N 403.353 4.951 0 1 HJAF CC(C)(C)OC(=O)Nc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 36387563 LPYYCGYJLBDJRO-MRXNPFEDSA-N 422.522 4.941 0 3 HJAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 767770 DRRJSUPVGBQYCY-AZGAKELHSA-N 421.500 4.830 0 1 HJAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)NCc3ccc(F)cc3)sc2n1 2924631 CQUMHVJWTPETMW-UHFFFAOYSA-N 412.534 4.614 0 1 HJAF COc1cccc(-c2nc3sc4c(c3c(=O)n2CC(=O)C(C)(C)C)CCCC4)c1 3018239 DRDRDQZBVMCAJR-UHFFFAOYSA-N 410.539 4.628 0 1 HJAF O=C(N[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1)OCc1ccccc1 6002155 FNHDDRPVUJEQQQ-MSOLQXFVSA-N 406.404 4.739 0 1 HJAF CC(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c12 13531355 VYBSLMWVJPILSL-UHFFFAOYSA-N 413.330 4.738 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@H](C2=CC(=O)O[C@H]2O)O[C@@H]1O 13555753 FIVWLOUIQSKMNV-WPMSLCQRSA-N 402.531 4.631 0 1 HJAF CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1c(F)cccc1F 13747556 NJNUKOMPSFBSPF-UHFFFAOYSA-N 413.442 4.624 0 1 HJAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccccc1Cl 27844838 KCZLKSXAVPINCW-URXFXBBRSA-N 412.961 4.501 0 1 HJAF COc1ccc(C(=O)c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1 66076991 OMNKHZNBQPNIHA-UHFFFAOYSA-N 404.853 4.812 0 1 HJAF CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82186020 CHEKHEIORMOHNL-HXUWFJFHSA-N 424.568 4.965 0 1 HJAF Clc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1 96168789 OFWWKTQNXPHLSY-UHFFFAOYSA-N 417.900 4.788 0 1 HJAF CCCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccccc1C(F)(F)F 169714266 AEMZECXPGMETJX-AEFFLSMTSA-N 411.420 4.670 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(Cl)cc1 203879689 XICRSYDDXLUBQV-IBGZPJMESA-N 424.884 4.665 0 1 HJAF Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2c1C(=O)CCC2 205203582 GZFJPALDEYOFHA-UHFFFAOYSA-N 410.495 4.673 0 1 HJAF Sc1nc(S)c2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2n1 586978125 XOEXQSPFPZPYIX-UHFFFAOYSA-N 408.133 4.667 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)cc(C)c2[nH]1 586985159 ROLCYLMTWHPPFZ-INIZCTEOSA-N 406.711 4.707 0 1 HJAF CC1=C(c2ccc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3c2)NNC(=O)C1 587112349 LXEHWFSNGFKEFR-UHFFFAOYSA-N 423.398 4.552 0 1 HJAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587241388 AEUJMSQAIVEESC-UHFFFAOYSA-N 423.242 4.579 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)cc1Cl)O2 587387234 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C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1 587730296 FCMYFNUUAUZVFM-YEJXKQKISA-N 421.329 4.505 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587732848 KBECZECAIYUPNW-BIBXISHDSA-N 418.285 4.845 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccccc3)C2)N1 587816787 DFHOJXONONRKLO-QTPGKHNVSA-N 402.307 4.855 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCc3ccccc3C2=O)N1 587823780 RODTUCMQHUYNKC-YDZGXFTCSA-N 402.307 4.783 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C)cc1C 587860595 YQTLKNUEGXJRMD-UHFFFAOYSA-N 407.301 4.799 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3c2)cc1 587969330 MLWMWLUPNBXPFR-OFWKRRLCSA-N 416.477 4.789 0 1 HJAF O=C(O)COC1CCC(=CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 653711403 FSWMQURYYURXLN-UHFFFAOYSA-N 413.901 4.957 0 1 HJAF O=C(c1ccccc1Nc1cccc(OCCc2ccccc2)c1)N1CCOCC1 1857556413 SHARZOXKCLMZPO-UHFFFAOYSA-N 402.494 4.524 0 1 HJAF CC(=O)c1ccc([C@@H]2C=C[C@H](Oc3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)cc1 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CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587042555 MBCXWEKZBXQIMR-MRXNPFEDSA-N 405.882 4.642 0 1 HJAF COc1c(F)ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1N 587132924 KYYUFXDDVVDWAP-UHFFFAOYSA-N 404.161 4.741 0 1 HJAF COC(=O)c1ccnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159413 OXEIHOHEMDDZRK-GOSISDBHSA-N 411.820 4.705 0 1 HJAF CCC[C@]1([C@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346066 ASVJWKSPBOUYKF-KKLQWCBXSA-N 400.446 4.628 0 1 HJAF COc1cccc([C@@]2(c3oc4ccccc4c3N)CC(=O)c3cc(C)cc(N)c3O2)c1 587389776 MBUIQAXORHTFBY-RUZDIDTESA-N 414.461 4.823 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(Br)c1)[C@@H](C2)C3=O 587424114 XJQKPOFUNGYHDO-GTNSWQLSSA-N 411.198 4.548 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncc1Br 587544368 KKFXXIOQHFCLFD-XLIONFOSSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cccc12 587546129 OBKMQLVKKZBZRE-UGKGYDQZSA-N 423.262 4.958 0 1 HJAF CCc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575859 DSCUWBAGYQXYHR-WIOPSUGQSA-N 417.461 4.704 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611661 IYPXOHGGEFVLAS-WIYYLYMNSA-N 422.506 4.850 0 1 HJAF CC(C)(C)[C@@H]1CCc2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2C1 587652985 ANRQHEHSABDLKF-CQSZACIVSA-N 400.931 4.951 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728364 ALDPHHIDEKKGOP-WYRIXSBYSA-N 409.274 4.506 0 1 HJAF Cc1ccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587769236 NLKQAGGSAFFZGF-OAHLLOKOSA-N 403.339 4.927 0 1 HJAF Cc1noc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587793818 LHXRUBUJVNMISV-MLCYQJTMSA-N 402.267 4.570 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1 587793911 MAYFWCCOURJHOY-FKIZINRSSA-N 416.294 4.630 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCCN2)N1 587796649 QVQDNFRHLPSKIW-YMTYPPQLSA-N 403.339 4.508 0 1 HJAF COC(=O)CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803415 ALJOAKWXFRHCQD-QKKBWIMNSA-N 420.322 4.709 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)co1 587861152 KSNKAWWWHMWXNQ-UHFFFAOYSA-N 415.165 4.622 0 1 HJAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1cccnc1 653853298 MDRBDKPJHLBNHX-UHFFFAOYSA-N 406.417 4.509 0 1 HJAF CCOC(=O)CC[C@]1(c2cccc(C(F)(F)F)c2)NCCc2cc(C)c(F)cc21 962297592 KBXXMEUMRWROLU-OAQYLSRUSA-N 409.423 4.886 0 1 HJAF Cc1nc([C@@H]2c3ccsc3CCN2Cc2cccn2C)sc1Br 962376272 VFFIMDCOAPKHGV-HNNXBMFYSA-N 408.390 4.762 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(CCN(Cc3ccccc3)CC1(C)C)N(C)[C@@H](C)C2 962637925 OJZGSBYOWLKWQH-AFMDSPMNSA-N 408.586 4.708 0 1 HJAF COc1c(C)cc(-c2nc3ccccn3c2[C@H]2NCCc3nc4ccccn4c32)cc1C 962990729 UDYJZQRYDTUPCR-QHCPKHFHSA-N 423.520 4.510 0 1 HJAF COc1cc(Cl)cc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963170917 AXWCBWKOEMADPX-CJNGLKHVSA-N 420.214 4.709 0 1 HJAF COC(=O)N[C@@H](c1cccc(N)c1)P(=O)(Oc1ccccc1)Oc1ccccc1 1857542718 ZDAWDBFYUBRRBH-HXUWFJFHSA-N 412.382 4.975 0 1 HJAF 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COc1cc(-c2ccc3c(-c4cc(OC)c(OC)c(OC)c4)n[nH]c3c2)ccc1O 166597793 URVQNUHSZBDQPA-UHFFFAOYSA-N 406.438 4.637 0 1 HJAF CC[C@@H](C)CN1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167046219 CWCZFZVDHOANDM-GOSISDBHSA-N 408.546 4.519 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169713445 GLSZMIVCBQXSEA-HVVYPDPHSA-N 402.623 4.725 0 1 HJAF [C-]#[N+]c1cc(-c2ccnc(Nc3ccn(C4CCNCC4)n3)c2)ccc1OCC1CC1 230582920 IWILCSQODDAQDC-UHFFFAOYSA-N 414.513 4.953 0 1 HJAF CCCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 254094428 VOEASXDMGAGUCL-HDJSIYSDSA-N 416.932 4.900 0 1 HJAF COc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)c1 261096474 FMEUWASIYBNIKU-HHNQPZQHSA-N 422.569 4.547 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 586971947 CAUNYUJPDQLGOG-KRWDZBQOSA-N 422.323 4.575 0 1 HJAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(I)c3[nH]2)s1 587014401 LDPXRZNDUQKBID-SECBINFHSA-N 413.284 4.697 0 1 HJAF 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CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(Cl)cc1c2=O 61921278 BMTTYUWTPFTLOA-IBGZPJMESA-N 403.869 4.777 0 3 HJAF O=c1ccoc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12 1893115 IRRPXMUZTPWEPJ-UHFFFAOYSA-N 422.456 4.722 0 1 HJAF CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4076717 YTLLVMLJCGRYJL-ILBGXUMGSA-N 413.521 4.600 0 1 HJAF C/C(=C\C[C@H]1OC(=O)NC1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1 13558109 LZZJDRGBBVKRQW-RKZJEGACSA-N 418.449 4.657 0 1 HJAF Cc1ccccc1[C@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28886153 ZSYIYUSNUHKATO-VWLOTQADSA-N 411.549 4.513 0 1 HJAF NC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2cc(-c3ccncc3)ccc2c1=O 29342759 ZXUIVHUSLQAEHH-UHFFFAOYSA-N 424.287 4.518 0 1 HJAF CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@@H](O)CO)cc2Sc2ccccc21 33889760 ALAWFOUNZCSZPS-SFHVURJKSA-N 420.530 4.958 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153119 KFZWDYQMBIYWFQ-LYZOWHQXSA-N 402.623 4.769 0 1 HJAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccc(C2CC2)cc1 43064074 DKFFOZUYPSYZNX-UHFFFAOYSA-N 400.526 4.856 0 1 HJAF COc1cc2nc(NCCCOC(C)C)nc(NCCC(C)(C)C)c2cc1OC 82129276 WSGQSNAWTNWHQC-UHFFFAOYSA-N 404.555 4.722 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F 82159584 OMMOUCBZGSCNME-OAHLLOKOSA-N 410.468 4.605 0 1 HJAF CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2)CC1 96273161 MSKVHNZMTLZJHI-UHFFFAOYSA-N 400.526 4.531 0 1 HJAF O=C(Nc1cccc(OCCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1 96285735 BRPVJMOWTZRDEM-UHFFFAOYSA-N 419.500 4.697 0 1 HJAF CC(C)(C)COc1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3C2)c1 103265979 IMAASOWDRHBKJH-UHFFFAOYSA-N 421.463 4.522 0 1 HJAF CC(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1 114678352 PBDVQJSHALGZGV-FYSMJZIKSA-N 403.457 4.809 0 1 HJAF Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1 142669632 WKTDBKHXYAIYLY-UHFFFAOYSA-N 402.838 4.848 0 1 HJAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C4(O)CCC4)ccc3Cl)nnc12 145745130 QPOIPSGKGQTIEH-UHFFFAOYSA-N 405.889 4.550 0 1 HJAF COc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(NCC3CC3)nccc2cn1 207627820 ORHOFZZOEONKQY-UHFFFAOYSA-N 400.486 4.604 0 1 HJAF C[C@@H]1C=CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1 254119964 NRHNQHSEKZNYCZ-JHESGUABSA-N 402.538 4.880 0 1 HJAF CC(=O)N1CCc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc21 586988868 YMDMDPBYKNOMID-UHFFFAOYSA-N 406.441 4.728 0 1 HJAF Clc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccnc1Br 587005888 YEPWMOJELUEPSO-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF c1cc(Nc2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs2)c2cccnc2c1 587016485 BMVSSIBWIBWVAA-UHFFFAOYSA-N 415.478 5.140 0 1 HJAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587049771 LITYJJAXJUBCMF-UHFFFAOYSA-N 413.662 4.867 0 1 HJAF FC(F)(F)c1cc(-c2nc3c(Br)ccnc3[nH]2)c(Br)cn1 587114462 AGDGUKQNPOZGLK-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF CCOC(=O)C(=O)[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362366 FWSUOMYETRRPGX-GOSISDBHSA-N 415.445 4.819 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4SC[C@@H]1C)[C@@H](C2)C3=O 587451735 KEWJFRJJJFXLNY-RJVYXSBYSA-N 417.324 4.842 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn3c4ccccc4n(C)c13)CC2=O 587483234 LNBJECQZBYRQTN-DEOSSOPVSA-N 403.482 4.673 0 1 HJAF O=C(O)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501560 JBOCKKODSWXXGS-SFHVURJKSA-N 401.256 4.733 0 1 HJAF COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510520 LABQHVWSCYUKPW-VOIUYBSRSA-N 417.546 4.609 0 1 HJAF COC(=O)CCc1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587518836 QSTFNKDTQNMCJM-HSZRJFAPSA-N 417.505 4.939 0 1 HJAF COc1ccc([C@]2(CC(C)(C)C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522725 HKHIHHPOGULZLI-RUZDIDTESA-N 408.494 4.936 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2cccc(Cl)c12 587552173 OCCQUAYRCNRVGH-GHTZIAJQSA-N 407.809 4.935 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599342 WUQXWFHBAJMBAH-WPSZSDGUSA-N 410.466 4.626 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587743145 VXLSZVKKCCQNCN-MWIVYLOJSA-N 419.338 4.775 0 1 HJAF Cc1nccn1-c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587759171 ZGFHXRWVNCXXKT-ZSEKCTLFSA-N 414.322 4.880 0 1 HJAF Cc1ccccc1-n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587762169 DPZCTXODPGGSRT-QKKBWIMNSA-N 414.322 4.880 0 1 HJAF CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587799285 ROXPBRPWVHQBTA-FKIZINRSSA-N 406.295 4.563 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccs3)CC2)N1 587851251 HVVWIYVJARFIBS-ZDUSSCGKSA-N 409.368 4.675 0 1 HJAF O=C(CCc1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 587953894 WITXYJIOVFXELB-UHFFFAOYSA-N 408.093 4.903 0 1 HJAF COc1ccc(OC)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c1 653669365 RECOPQDOXFPBNE-HNNXBMFYSA-N 419.477 4.764 0 1 HJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccnc(Br)c1F 962719241 YOQJFQYTAOGCEA-APPDUMDISA-N 411.315 4.575 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](c1cc(F)c(Br)c(F)c1)NCC3 963045459 FVXYXLFHPMRLPH-SFHVURJKSA-N 405.242 4.519 0 1 HJAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccc(C)cn12 1857583082 FJXWKLLMSKDONI-GFCCVEGCSA-N 419.312 4.730 0 1 HJAF CC(=O)O[C@H]1C(C(C)C)=CC=C(C)CCC=C(C)[C@H](O)CC=C(C)[C@H]1OC(C)=O 2356427446 BEGZWCKKXIZDII-SMIHKQSGSA-N 404.547 4.816 0 1 HJAF COc1cc2c(-c3cccn3C)cnc(Cc3ccc4c(c3)OCO4)c2cc1OC 2356501164 PWECVMWNYPKBRA-UHFFFAOYSA-N 402.450 4.577 0 1 HJAF C[C@H]1/C=C/CC(=O)N[C@@H](c2ccccc2)[C@@H](C)/C=C/CC(=O)N[C@H]1c1ccccc1 36381796 NRHNQHSEKZNYCZ-QBBYPKHWSA-N 402.538 4.880 0 3 HJAF CCN(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682503 KOYKGHMMFAACLT-UHFFFAOYSA-N 419.365 4.985 0 1 HJAF COc1ccc2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 13727115 VSJAGOOWKGSIRC-KEBDBYFISA-N 412.445 4.767 0 1 HJAF CCC(CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794894 JTRPIHDUSOXKLC-UHFFFAOYSA-N 418.339 4.972 0 1 HJAF CCC[C@H](NC(=O)Cc1ccc(C(=O)O)c(OC)c1)c1ccccc1N1CCCCC1 27559869 QLQBJLOVOBRJFZ-NRFANRHFSA-N 424.541 4.584 0 1 HJAF O=C(/C=C/c1ccccc1C/C=C/c1ccccc1)NS(=O)(=O)c1cccs1 36349256 HOAMCXAQSGXFFN-XEIPJVJCSA-N 409.532 4.522 0 1 HJAF O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1cccc(Cl)c1 40392767 HDKXFNKUPDVYSM-UHFFFAOYSA-N 408.797 4.804 0 1 HJAF COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc(Br)cc1 43204003 PNGUMXXAMDBKON-UHFFFAOYSA-N 420.284 4.713 0 1 HJAF O=C(Nc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)o1)CCC2)c1cncs1 45190878 ADHHVHMZNDRLFK-UHFFFAOYSA-N 422.554 4.537 0 1 HJAF C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 53243440 IVXBCFLWMPMSAP-GOSISDBHSA-N 416.521 4.658 0 1 HJAF in-vitro O=C(NC1CCCC1)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102879 YMPGTUXMEYETOA-QFIPXVFZSA-N 412.965 4.531 0 1 HJAF O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1CCc1c[nH]c2ccccc12 103278091 CIFQXAREUNGHIR-QHCPKHFHSA-N 406.485 4.898 0 1 HJAF COc1ccc(Br)c(CC2CCN(CCc3ccccc3OC)CC2)c1 144517107 JBUHYCVPTFVUQE-UHFFFAOYSA-N 418.375 4.964 0 1 HJAF Cc1c(N[C@@H](CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)cnc2ccccc12 146547403 YGDQWJIICAKBBS-QFIPXVFZSA-N 419.525 4.947 0 1 HJAF O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 169212254 CNEBXWXMELJZFE-KOMQPUFPSA-N 414.868 4.636 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255238618 MWBJDDYEYGDWCZ-PQELVAGOSA-N 413.646 4.771 0 1 HJAF C[C@H](Oc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1)C(=O)O 586990433 XNAFXYPPZGKMNT-ZDUSSCGKSA-N 411.413 4.671 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)c4ccccc4Cl)[nH]c3c2)cc1 587059992 XHPXHAQSKAPFFZ-FQEVSTJZSA-N 408.841 4.877 0 1 HJAF COC(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587128960 GFTLLOMSOQAVGQ-ZCFIWIBFSA-N 404.751 4.684 0 1 HJAF CCCCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587158524 XIZLEDKMZPJKIG-XCLFUZPHSA-N 418.310 4.985 0 1 HJAF Fc1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 587168800 MZLSXLDCUOPWOB-UHFFFAOYSA-N 405.145 4.942 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348432 WSZCZQSYLSQKDB-KAGVRGLPSA-N 417.480 4.781 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccccc21 587485584 IRYKNWDCGXWYGA-SANMLTNESA-N 413.473 4.752 0 1 HJAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587540487 AQPHMPIFRMPXNB-GHTZIAJQSA-N 410.809 4.535 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602342 JIZVBYOEAWIUNN-RDGATRHJSA-N 416.429 4.674 0 1 HJAF C[C@@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613511 YGRAOFBSBRSONF-RDGATRHJSA-N 418.445 4.517 0 1 HJAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2ccc(F)c(Cl)c12 587630771 CKNQASZVSBNWTQ-UHFFFAOYSA-N 404.825 4.564 0 1 HJAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587699290 PXSTUHSGBVUVSF-HQVAUKCESA-N 424.697 4.575 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587737419 ZSNZXPBPESJRCP-FVINQWEUSA-N 403.270 4.933 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587758991 DSTBFEJCJPFJQT-DMPWYTOCSA-N 417.366 4.860 0 1 HJAF Cc1ccc(-n2cccn2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587762372 YDIKIXLIPKZOKA-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccn1C 962375375 SKOFMILKVBGTOA-XMMPIXPASA-N 410.583 4.788 0 1 HJAF CC(C)n1cc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962674088 VISQUSLAOFBBIN-JYFHCDHNSA-N 413.521 4.958 0 1 HJAF O=C(Nc1ccccc1F)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 1772625223 CSFGVHVUPPUJAI-UHFFFAOYSA-N 400.397 4.909 0 1 HJAF CCCC[C@@H]1[C@H](C(=O)N(C)OC)[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857557984 NRBLDIIVXBCDGF-VAMGGRTRSA-N 404.551 4.606 0 1 HJAF COc1cc(-c2ccc(O)cc2)ccc1CN1CCc2cc(OC)c(OC)cc2C1 1857769622 QHONHAYDQIAZIZ-UHFFFAOYSA-N 405.494 4.643 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356527544 IDOHCEDWHOEHNL-IJHBIDDNSA-N 416.694 4.934 0 1 HJAF O=C(Nc1ccccc1)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1 13634926 LVMZUMXDSZSOTF-RDGATRHJSA-N 415.489 4.748 0 3 HJAF COc1cc(NC(=O)c2cc(C)on2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13682470 HJZQVDATZXYOSN-UHFFFAOYSA-N 419.359 4.515 0 3 HJAF CN1c2ccc(Cl)cc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1 13525981 JEZGMXQLYTYHBX-GOSISDBHSA-N 423.969 4.877 0 1 HJAF CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1cc(F)c(OC)cc1Cl 13584785 OVASRRLMUSPMND-UHFFFAOYSA-N 420.916 4.908 0 1 HJAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(N)=O)CC1 20806860 VKPLGASLWOZHOP-IAGOWNOFSA-N 414.590 4.828 0 1 HJAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1Cc1c[nH]c2cc(F)ccc12 28233507 GQTCTQRKCLZYOT-QFIPXVFZSA-N 401.416 4.847 0 1 HJAF CCC[C@H](CC1(C(=O)Nc2nnc(Cc3ccccc3)s2)CCCC1)C(=O)O 34803320 WTCGLJIGRQNVRC-MRXNPFEDSA-N 401.532 4.519 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F 35983912 DJRNAIGSFHOUFL-FQEVSTJZSA-N 410.411 4.914 0 1 HJAF CCC1(CC)C(=O)N(c2ccccc2CSc2nnc(-c3ccccc3)o2)C1=O 45255322 ITJPPFHFDYFKCL-UHFFFAOYSA-N 407.495 4.709 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H]3CCc4ccccc4C3)ccc21 59615360 XHJHRZVEARVZGD-LJQANCHMSA-N 417.549 4.607 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2C)oc1C 82177415 BLBMFAQVOZRZJY-UHFFFAOYSA-N 406.530 4.985 0 1 HJAF O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877938 HKSRNOMJXSTDLM-VEXUSMLFSA-N 420.459 4.622 0 1 HJAF COc1nc(C[S@](=O)c2nc3ccccc3[nH]2)nc2scc(-c3ccccc3)c12 98085728 OBSWXWJSIGYYJK-GDLZYMKVSA-N 420.519 4.551 0 1 HJAF CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23 100774257 IJVOVAHXZFALHZ-LNYYNOLJSA-N 422.477 4.811 0 1 HJAF endogenous,in-man CCOc1ccc2nc(N3CN(c4ccccc4)c4ncccc4C3=O)sc2c1 103237507 SIBOZXRCSGPZGR-UHFFFAOYSA-N 402.479 4.846 0 1 HJAF CC1(C)CC2=Nc3cc4c(cc3[C@@H](c3ccc(OCC(=O)O)cc3)C2=C(O)C1)OCO4 103667223 MUVXZEHSRPRFQI-JOCHJYFZSA-N 421.449 4.729 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(-n3cnnc3)c2)cc(-c2ccc3ncsc3c2)n1 141807326 JMWCPPDFCFYHAE-CQSZACIVSA-N 413.510 4.816 0 1 HJAF CCC(C)(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167099204 BYLAWDDQKYZESU-UHFFFAOYSA-N 418.541 4.681 0 1 HJAF CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 254092528 KCTYPUKDSRNILF-JOCQHMNTSA-N 402.905 4.510 0 1 HJAF CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@H]12 254114641 IRGZJOASCLJVTK-DFWAIWNTSA-N 421.537 4.512 0 1 HJAF Cc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(C)cc2-c2cccnc2)cc1 299821856 GWIHVAFEKROROQ-UHFFFAOYSA-N 423.476 4.660 0 1 HJAF Cc1ccc(CSCCc2nc3ccc(I)cc3[nH]2)cc1 586971144 NOTTXMWBYNDTCR-UHFFFAOYSA-N 408.308 4.952 0 1 HJAF O=Cc1cc(Br)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 586981813 FNDWZNAPNDJYMY-UHFFFAOYSA-N 415.472 4.616 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(-c3coc(-c4ccccc4Cl)n3)nc-2[nH]1 587060682 LUYZQSVEXRTUMD-UHFFFAOYSA-N 418.844 4.598 0 1 HJAF Nc1ccc(F)c(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587140916 IYRILERGBDRZJF-UHFFFAOYSA-N 404.161 4.536 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587147143 IGWHLVRWIJPTHS-UHFFFAOYSA-N 420.396 4.514 0 1 HJAF C[C@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333389 VGKRQZAKPFFKLT-RBBKRZOGSA-N 423.831 4.502 0 1 HJAF O=C1C[C@@H](c2ccccc2I)Oc2c1ccc1c2CCCC1 587504672 KOAZNIWOFAWWTI-SFHVURJKSA-N 404.247 4.877 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1cccc(Br)c1C2 587548152 SKKGJMNJSAFLHB-UGKGYDQZSA-N 423.262 4.654 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552691 BKCFHRWHDQXAEX-NQIIRXRSSA-N 415.367 4.991 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncc1)c1ccccc1 587586189 JFTFZGUFZMUWOY-BVAGGSTKSA-N 409.441 4.887 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)nn2C)N1 587766446 WBVFLTRNTCBEMJ-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cnccn3)c2)N1 587771826 DHXIFGDRNDNUQZ-YUNKPMOVSA-N 414.278 4.794 0 1 HJAF COc1cc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587810105 WILBIQKNNCXATI-YUNKPMOVSA-N 408.311 4.685 0 1 HJAF COc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)sc2c1 587857686 MOPYWSBIOGWYLR-VVVCHXIZSA-N 407.308 4.830 0 1 HJAF O=C(NCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)cs2)c1 1772583280 COZSHMVZWUUCPG-UHFFFAOYSA-N 400.507 4.747 0 1 HJAF COc1cc(/C(O)=C2\C(=O)Nc3cc(Cl)c(-c4ccc5c(ccn5C)c4)cc32)on1 1772609163 PWMNTTDPDBOAHL-QZQOTICOSA-N 421.840 4.874 0 1 HJAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4ccccn4)nn3)cc2)n1 1857630143 FMTSWJFLZDYNCK-UHFFFAOYSA-N 424.308 4.553 0 1 HJAF CN(CCNc1nccc2ccccc12)CCNc1ccnc2cc(Cl)ccc12 1857654256 IRDLSUFWNOIXCC-UHFFFAOYSA-N 405.933 4.892 0 1 HJAF CCC(=O)[C@H](C)C=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(C)[C@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C 2356532833 ZAIGREUAQVJOJF-BYZJVFRDSA-N 414.542 4.556 0 1 HJAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055608 ADSAZXYKWXAYQI-GMAHTHKFSA-N 422.912 4.738 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214065 OEBOLKNHEYCYKA-MBWHEUGSSA-N 416.562 4.519 0 1 HJAF CCC1=C(C[C@@H]2NCCc3cc(OC)c(OC)cc32)C[C@@H]2c3ccccc3CCN2C1 13099123 GAUYNTGXYGJOSH-LOSJGSFVSA-N 418.581 4.990 0 1 HJAF O=c1c(-c2ccccc2)coc2cc(OC[C@@H](O)CNC3CCCCCCC3)ccc12 27103808 XAERELDJUVRJEA-NRFANRHFSA-N 421.537 4.902 0 1 HJAF Cn1c(-c2ccc(NC(=O)CN3CCCCC3)cc2)nc2cc(C(F)(F)F)ccc21 49072641 GACIXDWECKYUFW-UHFFFAOYSA-N 416.447 4.684 0 1 HJAF Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nc(-c2ccccc2)c(C)o1 82177412 NYIJKQHCXPHDES-UHFFFAOYSA-N 412.493 4.919 0 1 HJAF CC[C@H](C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21 95566170 UIFNDUZWXSVEMA-FQEVSTJZSA-N 418.585 4.692 0 1 HJAF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(Cl)c3)CC2)nc2ccccc12 101006822 PCMKFHUKCPUDQK-IYARVYRRSA-N 423.948 4.502 0 1 HJAF COc1ccc2c(OCc3nnc4c(F)cc(-c5ccccc5)cn34)ccnc2c1 166085169 YKHCQJVTMHEIHI-UHFFFAOYSA-N 400.413 4.671 0 1 HJAF NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccsc3)n2)CC1 299830972 ZKMUWCXVSSHHPE-IYARVYRRSA-N 421.570 4.521 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587114299 YPUBTASGMHRIJU-INIZCTEOSA-N 417.218 4.683 0 1 HJAF Cc1nc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1Br 587132150 LIRCCVLBNCTDRT-IHWYPQMZSA-N 404.136 4.895 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587204541 WGJKPZZRRBHQFP-UHFFFAOYSA-N 420.391 4.979 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587258374 JASWUDIHWKITBU-HNNXBMFYSA-N 414.296 4.837 0 1 HJAF Cn1cc([C@@H]2C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2(C)C)cn1 587338412 CIMHDMRAVXDPIY-PTLVVNQVSA-N 406.457 4.576 0 1 HJAF COc1ccc2c(c1)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356099 IBZQUOSWPTWCQA-NOZRDPDXSA-N 420.436 4.967 0 1 HJAF CCOP(=O)(C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OCC 587407980 KCCHEGBKVBHVAR-NRFANRHFSA-N 403.415 4.704 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)ccc1Br)CC2=O 587456254 LPBFTQNYFUVDSO-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(P(=O)(OCC)OCC)cc1)CC2=O 587490763 YPGAEXUXICGOJV-NRFANRHFSA-N 418.426 4.943 0 1 HJAF C[C@]1(c2ccc(SCC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506356 RSCMUYKWQCAECJ-JOCHJYFZSA-N 400.471 4.762 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(F)c1 587553042 DHSCSNVXOURYSB-YLJYHZDGSA-N 402.324 4.836 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576082 FPUIKSUEJNMGFY-BWKNWUBXSA-N 417.461 4.758 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1 587710378 RZBRZLSYSGAOBD-RDGWCUKFSA-N 408.233 4.639 0 1 HJAF CC[C@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1 587745102 JNNJUQWNAVCGHO-WNVHLOTPSA-N 419.338 4.899 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804244 DDPQXBILPBZZRH-SPLOXXLWSA-N 420.322 4.709 0 1 HJAF COc1ccc2c(c1)OCC([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 587834505 LBNCHELBLIMPGW-BIBXISHDSA-N 404.279 4.648 0 1 HJAF CC[C@H](c1nnnn1Cc1cccs1)N1CCC(c2nc3ccccc3s2)CC1 653793023 WOFLUJJYTWNFLL-GOSISDBHSA-N 424.599 4.723 0 1 HJAF C[C@H](OC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 1772610266 NQWUQMKTMPEOJN-HNNXBMFYSA-N 422.435 4.745 0 1 HJAF COc1cc(OC2CCC2)cc(-c2ccc3c(c2)CC[C@H]([C@@H]2C[C@H]2C(=O)O)O3)c1F 1772619215 KGVVLWXNJCAKLX-SFHLNBCPSA-N 412.457 4.847 0 1 HJAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCC1CCCCC1)CC3 1772634899 CRXLVHUUJUIHDK-LJQANCHMSA-N 407.583 4.534 0 1 HJAF CC(C)=CCC[C@@]1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)cc1)CC3=O 1857539790 TZJYPEVSQZANSZ-SONWIMMPSA-N 408.494 4.900 0 1 HJAF O=C(c1cccc(Cl)c1Cl)n1nc(OCCN2CCCCC2)c2ccccc21 1857546774 AYMRUPGZRKXYGK-UHFFFAOYSA-N 418.324 4.896 0 1 HJAF CCCCCN1C(=O)C/C(=C\c2cccc(C(=O)Nc3cccc(CC)c3)c2)C1=O 1857567369 HHJQYAOUCHHWGI-RCCKNPSSSA-N 404.510 4.834 0 1 HJAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3OC)cc1)CC2 1857772894 YZUGFKVZJMVUER-UHFFFAOYSA-N 405.494 4.643 0 1 HJAF C[C@H]1C[C@@H](C)CN2C[C@@H]3[C@@H](CC[C@@H]4[C@@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@]43C)C[C@@H]12 2356524295 YIYKJKFLANHXRV-LLRJNTEMSA-N 415.662 4.563 0 1 HJAF CC1=C(CCC(=CC[C@H](O)C2=CC(=O)OC2)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 2356543407 QNKXTVCLBCSBNT-FBLLAGFSSA-N 402.575 4.862 0 1 HJAF C[C@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccccc1F)c1ccccc1 61927624 PSZBKBOTKIVMJE-MRXNPFEDSA-N 403.457 4.601 0 3 HJAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484647 MLIXEEQWXJBUDN-UHFFFAOYSA-N 406.816 4.707 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1N 4080521 KFTFLIVAZGHGKS-PKTZIBPZSA-N 409.530 4.608 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295438 DCUPCNFOXFBODB-OEMFJLHTSA-N 424.541 4.559 0 1 HJAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1c1cccs1 6783278 NZCSCNOUWHUDLO-LEWJYISDSA-N 405.523 4.719 0 1 HJAF COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(OC)cc4OC)cc23)c1 20233303 LJYVBPFGQPPJGK-UHFFFAOYSA-N 423.494 4.580 0 1 HJAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCCc3ccccc3)C1)CC2 22930465 UMBXTZPQSFTDNC-XMMPIXPASA-N 408.586 4.549 0 1 HJAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccc(-c2ccccc2)cc1 26656613 OEBYYLYOQUNAQJ-IKVMQTKTSA-N 410.602 4.553 0 1 HJAF O=C(c1ccco1)N(c1nc2ccccc2o1)C1CCN(CCc2ccccc2)CC1 27740495 MOWSQMGDCSVSLR-UHFFFAOYSA-N 415.493 4.775 0 1 HJAF COc1ccc2onc(C3CCN(CCCc4noc5cc(F)ccc45)CC3)c2c1 27863115 XUTQMDPMIMSQIC-UHFFFAOYSA-N 409.461 4.929 0 1 HJAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12 27994617 LPTBHUFJWMXONX-NAAPSUTFSA-N 416.650 4.721 0 1 HJAF COc1ccc2cc(C3=CN4C(=O)c5cc(OC)c(OC)cc5N=C[C@@H]4C3)ccc2c1 49803257 OGAGYNYVTDZWOH-IBGZPJMESA-N 414.461 4.837 0 1 HJAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(Oc3ncccn3)cc21 64540293 HHRGKFMVIWXPBY-UHFFFAOYSA-N 407.429 4.665 0 1 HJAF CCNc1ncc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1 73295425 NCULGUHAHCLFGC-UHFFFAOYSA-N 404.499 4.760 0 1 HJAF CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCc1ccccc1 82192306 YADMQNQUNCGLAA-SFHVURJKSA-N 415.559 4.799 0 1 HJAF CCOC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C 95554575 BBNRASBPIGYVGU-OZXSUGGESA-N 424.500 4.575 0 1 HJAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(OC(F)(F)F)c1 98176769 IIVWPEBDJNADDC-MRXNPFEDSA-N 409.404 4.856 0 1 HJAF Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)O)c[nH]3)c2)c1 116235589 LOASYNCSCBFHTC-UHFFFAOYSA-N 403.394 4.721 0 1 HJAF COc1cc(-c2cc(=O)n3ncc(-c4nc5ccccc5s4)c3[nH]2)ccc1Cl 143012448 RJJPETNLFHBJTO-UHFFFAOYSA-N 408.870 4.628 0 1 HJAF C[C@H]1CCC[C@@H](C)N1Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 169306157 IUALIHPRDXWTSS-RVPKQNPDSA-N 403.828 4.894 0 1 HJAF CS(=O)(=O)c1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218302798 UICQQCSGNXGAAN-JOCHJYFZSA-N 404.491 4.608 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(O)[C@@H](/C=C/C4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12 257397772 CNXOWEJEIZUYTD-SKEHQNHOSA-N 402.575 4.754 0 1 HJAF CCOc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)cc(Br)c1OC 586978462 SZCWYADJRSNOCQ-QPJJXVBHSA-N 417.259 4.601 0 1 HJAF Cc1ccc2c3c(cc(CC(=O)NCc4ccc(F)cc4)nc13)-c1ccccc1C2=O 586994940 GKWLEWRLNBWIAM-UHFFFAOYSA-N 410.448 4.753 0 1 HJAF Brc1ccc2c(cnn2CCc2nc3cccc(Br)c3[nH]2)c1 587003307 SVZUICUVLUHPLD-UHFFFAOYSA-N 420.108 4.680 0 1 HJAF Cc1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006335 GQAPLAWJOSCYKO-UHFFFAOYSA-N 406.081 4.711 0 1 HJAF Cc1cc(-c2nc3c(O)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587062395 VIDMITJPQIHQRA-UHFFFAOYSA-N 403.873 4.999 0 1 HJAF Fc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1Br 587076946 PTSJDAIGWPMBPI-UHFFFAOYSA-N 421.657 4.953 0 1 HJAF Nc1cncc(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1 587254712 WAWKQVNCBWJTHD-UHFFFAOYSA-N 415.350 4.617 0 1 HJAF O=C1c2ccc(O)cc2OC2([C@H]3CCC[C@H]2CN(C2CC2)C3)[C@H]1c1ccc(F)cc1 587340826 UHPYAQYUKAIBLF-QQMNAOGKSA-N 407.485 4.523 0 1 HJAF Cn1ncc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587345237 YWWPWISUTSJREJ-LADGPHEKSA-N 402.425 4.692 0 1 HJAF CCN(CC)c1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378274 TXSNJPOPHFHVAY-LJQANCHMSA-N 403.320 4.892 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(N3CCCC3)nc1Cl)CC2=O 587462153 PJNNVTRXFQCLKU-OAHLLOKOSA-N 422.312 4.748 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O 587469172 XKCYZKGMHIXVQV-DVECYGJZSA-N 414.473 4.630 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 587479920 VIPSSFGJRAYXJQ-HSZRJFAPSA-N 403.519 4.716 0 1 HJAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523000 FVJVANPZFSTCGP-BDYUSTAISA-N 417.549 4.615 0 1 HJAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526741 ZRMYUBHXQBUEHR-AREMUKBSSA-N 420.505 4.565 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587581628 WTAAOGGJWXHGAS-RDGATRHJSA-N 417.461 4.758 0 1 HJAF CC1(C)C[C@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583779 UVUQBNTWDGDFJA-BKMJKUGQSA-N 415.489 4.777 0 1 HJAF COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(F)ccc13)/C(=C\Cl)N2 587632677 HERKZTSUMAHHBY-NVMNQCDNSA-N 401.825 4.743 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Br)c2)N1 587676892 ILKVRTSRSIEMJK-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N1 587695709 JFHLTRPHNZXMQO-ABKXIKBNSA-N 422.685 4.915 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2N)(C(F)(F)F)N1 587701728 CWBCDADOMGMKCY-JDNHERCYSA-N 403.217 4.511 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2-n2cccn2)N1 587715281 BTXKAOPHEFFWCU-ZMZPIMSZSA-N 404.258 4.537 0 1 HJAF COc1ccccc1C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809883 VORSAIWICNXTEL-YUNKPMOVSA-N 406.295 4.619 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813454 CXZOMCAICNXPLG-FIKIJFGZSA-N 418.306 4.791 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc2ccccc21 587866180 XDIMDLRJFRYTPZ-UHFFFAOYSA-N 414.387 4.658 0 1 HJAF Cc1c(F)ccc2c1[C@@H](c1c(Cl)c3cc(Br)ccc3oc1=O)NCC2 962086814 AOCZZXSPMYBZDD-SFHVURJKSA-N 422.681 4.892 0 1 HJAF Cc1cc2c(cc1F)[C@]1(NCC2)c2cccc3c2N(CCC3)C(=O)[C@H]1c1ccccc1 962297083 HZZCXRYPCNUPSE-SHQCIBLASA-N 412.508 4.600 0 1 HJAF CC(=O)O[C@@]12C[C@H]3C[C@@H](C1)[C@]1(c4cccc(F)c4CCN1[C@@H]1CCSC1)[C@H](C3)C2 962701866 LRRXMNPCBFBIIG-PXCCGSKSSA-N 415.574 4.526 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Cl)c2S(=O)(=O)CC)N1 962946316 LEYQJBYUWCNZSY-DJJJIMSYSA-N 402.947 4.629 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)C[C@H](O)C(F)(F)F 1857621878 JVSPILBDVWXPBS-VAAJLMEASA-N 416.524 4.889 0 1 HJAF O=C(Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(Cl)nc1 2356531483 ZYPPKRBFIBQRCF-WMZOPIPTSA-N 416.978 4.739 0 1 HJAF CSc1cccc(NC(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)c1 11874881 XWNHNCQWEGSFBG-UHFFFAOYSA-N 418.522 4.646 0 3 HJAF O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)c1ccccc1 206039602 NCSHNZBBVAIAJG-PSELDJGJSA-N 416.565 4.599 0 3 HJAF O=C1C2=NCCNC(c3ccc(Cl)cc3)=C2[C@@H](c2ccccc2)N1c1ccccc1 1437108 NBNGOQDENQTNHX-XMMPIXPASA-N 413.908 4.883 0 1 HJAF CCc1c(COc2ccc(C(=O)CC(C)(C)CC(=O)O)cc2)ccc(C(C)=O)c1O 2013013 VTZLQWLIUCEWCD-UHFFFAOYSA-N 412.482 4.810 0 1 HJAF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)cc1 4052386 JZPZAPJEYMDMLG-UKILVPOCSA-N 414.505 4.536 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c2c1[C@H](O)Oc1c(CC=C(C)C)ccc(O)c1C2=O 13373316 WKCOWVOAMWLTDQ-RUZDIDTESA-N 424.493 4.874 0 1 HJAF biogenic,in-vitro C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Sc4ccccn4)[C@]3(C)CC[C@H]12 26396868 FOOJBYZHQBYLFU-QZWJDMHUSA-N 410.583 4.614 0 1 HJAF C[C@@H](/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)n1oc(=O)nc1O 27098300 FEJTURCNLAKTTK-JDGPPOGSSA-N 407.253 4.702 0 1 HJAF CCOC1(OCC)[C@H]2c3cc(Br)ccc3[C@H]([n+]3ccccc32)C1(C)C 27518410 FOPGQMONXJBMHW-OALUTQOASA-N 403.340 4.580 0 1 HJAF COc1ccc(C(=O)C2=NCCc3cc(OCc4ccccc4)ccc32)cc1OC 27560141 XSSJRSGQMFNXIU-UHFFFAOYSA-N 401.462 4.511 0 1 HJAF O=C(CSc1nnnn1-c1ccc(C2CC2)cc1Cl)Nc1ccccc1Cl 28705106 VSDLKKKMFXZPMP-UHFFFAOYSA-N 420.325 4.577 0 1 HJAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN(C4CC4)C4CC4)ccc32)cc1 28818101 QTAUJHKCILRJMG-SANMLTNESA-N 406.570 4.668 0 1 HJAF CCCCOc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(F)c3)n2C)cc1 29125281 LUAWIYQAIIMLCO-LVWGJNHUSA-N 413.518 4.818 0 1 HJAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 36178486 SJSQQBATFXLXQC-LEWJYISDSA-N 405.498 4.870 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1 49850844 OCWDFPOKWYMLGH-QHCPKHFHSA-N 416.477 4.941 0 1 HJAF COCCOc1ccc(-c2nc3ccc(OCc4ccccc4)nn3c2Cl)cc1 72142590 AILXGJIAZDFYAN-UHFFFAOYSA-N 409.873 4.654 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1 82179210 PARJIAGRDOIEEY-UHFFFAOYSA-N 410.481 4.645 0 1 HJAF C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1N(C)C 299866798 PKBQHURCDKDCCN-IAGOWNOFSA-N 407.489 4.512 0 1 HJAF CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1 473101921 LEQMVFLCHQFJKY-CYBMUJFWSA-N 407.952 4.971 0 1 HJAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 586908661 SUZTUZIJRWJAQQ-QMMMGPOBSA-N 424.092 4.669 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccnc(O)c2[nH]1 587087442 QKQQUWJBOKAMQM-SREVYHEPSA-N 400.269 4.694 0 1 HJAF Fc1ccc(Oc2ccc(-c3nc4cnc(Cl)[nH]c-4n3)cn2)c(Br)c1 587161015 JKAUYLJJHCQJJF-UHFFFAOYSA-N 420.629 4.714 0 1 HJAF Cc1ccc(C(=O)Cc2nc3cccc4c3c(c2CCO)-c2ccccc2C4=O)cc1 587206742 MFDNACIZBUJESZ-UHFFFAOYSA-N 407.469 4.715 0 1 HJAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)c1c(CO)oc2cc(Br)cnc12 587273333 KFUVICMJXYEIDZ-IVMMDQJWSA-N 424.335 4.743 0 1 HJAF COC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587351999 NRVCKKFYBWCZMA-XUZZJYLKSA-N 406.409 4.592 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)O2 587380373 TZSWKHMEHARPFP-OAHLLOKOSA-N 403.866 4.679 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)cc1C(F)(F)F)[C@@H](C2)C3=O 587421100 NNIVMMFZMASEQU-KKSFZXQISA-N 403.400 4.803 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O 587449664 CICADOGFJPCMNT-AVRWGWEMSA-N 417.530 4.909 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC(C)C)cc1)CC2=O 587483639 LIDMQUTVTRTMQT-DEOSSOPVSA-N 412.482 4.556 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cccc(C(=O)O)c21 587492916 ZJRHZADGVLHPCR-RUZDIDTESA-N 400.430 4.932 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1OC(F)F 587558311 WJFXRGQRCGGJHP-FXAWDEMLSA-N 402.324 4.836 0 1 HJAF C[C@@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570018 JYCIYXWEHNWJEZ-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2Br)N1 587681034 WAKVOFXZNWJUCY-ZKANADHPSA-N 415.100 4.680 0 1 HJAF Cc1ccnc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587759228 ZQRNGOCAYKVWLO-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1 587767421 YXDJOVPIKVSJBI-MPBGBICISA-N 400.295 4.612 0 1 HJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2c1 587781335 TZEKYCSQPSGOBP-UHFFFAOYSA-N 416.477 4.923 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797675 MUQIUXGCMAQYAH-LHSJRXKWSA-N 420.322 4.546 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC[C@@H]2CCCO2)N1 587833441 NDBBVSAZBUXNSH-VWVPQACVSA-N 420.322 4.770 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(NC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 653671241 VIGBNNIFLXXDSE-GFCCVEGCSA-N 404.499 4.725 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](C2(c3ccccc3)CCCC2)N1 962623318 BKBXJWZPATYXQJ-QFBILLFUSA-N 405.416 4.737 0 1 HJAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)nc1Br)N[C@@H]1CC[C@@H]21 962991020 DBXHVBOJBHRBLR-PEYYIBSZSA-N 413.237 4.810 0 1 HJAF Cc1ccn2nc(O)c(C(=O)Nc3c(F)c(F)c(-c4ccccc4)c(F)c3F)c2c1 1857759199 ZBLNACULOGDXAT-UHFFFAOYSA-N 415.346 4.824 0 1 HJAF N[C@H](c1ccccc1)c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 61930231 PWUZULKTJMYOCR-OAHLLOKOSA-N 408.405 4.734 0 3 HJAF O=C(NCC/C=C/c1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589124 JNTKRACVKGTMSU-UXBLZVDNSA-N 400.522 4.558 0 1 HJAF COc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1 43200324 SMTOFNPJCJQJKP-UHFFFAOYSA-N 404.422 4.651 0 1 HJAF O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 64560372 GXIILLSKJUTIOQ-UHFFFAOYSA-N 416.403 4.578 0 1 HJAF Clc1nc(Sc2ccccc2)c2ncn([C@H]3CNc4ccccc4CO3)c2n1 66079850 SVJYIEOXACGIQO-MRXNPFEDSA-N 409.902 4.772 0 1 HJAF NCc1sccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66100977 RDECLHUZVIIRRM-HXUWFJFHSA-N 403.555 4.558 0 1 HJAF CCN1C(=O)c2nc(-c3ccc(F)cc3)n(CC3CCCC3)c2N2C[C@@H](C(C)C)N=C12 71341606 DNPCSHVBHYMBDX-IBGZPJMESA-N 423.536 4.556 0 1 HJAF O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1ccc(C(F)(F)F)cc1 95586150 PPLYMEJBBVJECW-UHFFFAOYSA-N 414.347 4.808 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 101640678 RHUFFIATLNQZDB-DNVCBOLYSA-N 401.528 4.915 0 1 HJAF CC(C)=CCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCC=C(C)C)[C@@H]23)OCO5 103268973 YLICZDSIZAEERD-QEGGNFSNSA-N 423.553 4.730 0 1 HJAF C[C@H](C(=O)CN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1 169295082 USIACVWKSQEQGG-RBQRDFNRSA-N 423.463 4.635 0 1 HJAF COC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 169720309 WDFPMDMCJQNDGT-GOTSBHOMSA-N 417.461 4.570 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2ccnc(Cl)c2)NC(=O)N1 206338277 CLGSQFRBYZAMPQ-GOSISDBHSA-N 407.886 4.515 0 1 HJAF Cc1cc(N2CCC(NC(=S)Nc3ccc(F)cc3)CC2)c2cc(F)ccc2n1 299854697 AGTZJQXFLYVYLX-UHFFFAOYSA-N 412.509 4.777 0 1 HJAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(Cl)c4[nH]3)CC2)cc1 586954655 GYDFFIHNLRTJIE-UHFFFAOYSA-N 417.962 4.908 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(C)c2[nH]1 586972309 HAVBJXDZEVZZAF-KRWDZBQOSA-N 418.360 4.744 0 1 HJAF CCc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587109527 XBXMCROZRWCIKI-QGZVFWFLSA-N 423.460 4.670 0 1 HJAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(I)cnc2[nH]1 587170909 VVYHBKGHTYJYED-SECBINFHSA-N 413.259 4.597 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1 587192504 UWYIBZHABNTNBD-HNNXBMFYSA-N 417.307 4.677 0 1 HJAF CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587340979 UXMRBAWFDCMJOB-RCZVLFRGSA-N 417.436 4.542 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(=O)O)nn2CC3)c1 587362800 KSWVPNFRKBYMLV-UHFFFAOYSA-N 411.417 4.774 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587376228 QSFQKOWJOQGIFY-HXUWFJFHSA-N 408.281 4.698 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC)c21 587470802 OOVUGNRSYAHHTQ-SANMLTNESA-N 413.473 4.840 0 1 HJAF CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512668 OBJDXLGUOFSCRR-VWLOTQADSA-N 407.510 4.951 0 1 HJAF COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524776 KCXNVGJAVZRNAL-VWLOTQADSA-N 417.461 4.509 0 1 HJAF CCc1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575853 DSCUWBAGYQXYHR-DHLKQENFSA-N 417.461 4.704 0 1 HJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1 587579579 DVCVZNOSWIETCF-RDGATRHJSA-N 412.445 4.804 0 1 HJAF CC[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580631 TTXRGAPRBMVDAH-SDUSCBPUSA-N 417.461 4.783 0 1 HJAF CN(C)c1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660378 BZNQEHPLXWWYEV-UHFFFAOYSA-N 418.497 4.514 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N)N1 587676779 FSMKWXDRUDHSJA-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cn2)N1 587678647 CNZMLYXZQTZAEX-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N)N1 587679809 ODYSLFRIUMURFM-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697773 UHTFXEFPNAFCIF-HUTHGQBESA-N 419.121 4.665 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587743078 NTJPRVRJVBRBFW-QKKBWIMNSA-N 419.338 4.983 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794004 FZTTVKPUBBCIAK-PTAUBWNISA-N 400.332 4.563 0 1 HJAF O=C1Nc2c(ccc(Cl)c2Cl)[C@]12NC1(CC1)Cc1ccc(Br)cc12 961614822 MCJKKLVOIBMTMW-GOSISDBHSA-N 424.125 4.630 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(OC(F)(F)F)c(C(F)(F)F)c1 963128982 CHIZUHJERWYBBL-OAHLLOKOSA-N 405.294 4.537 0 1 HJAF CC(C)(C)c1ccc([C@]2(C3CC3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232556 OMFUEJFBVAICHU-JYFHCDHNSA-N 400.522 4.785 0 1 HJAF CO[C@@H](C)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772571833 GZKNPZYWFSQGAJ-LBPRGKRZSA-N 409.313 4.617 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)[C@@H](O)C4 2356412074 HAOOQCMPFMLAJM-JKFKMHIGSA-N 408.494 4.585 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@@H]1[C@@H](C)C[C@H](C=C(C)C)OC(C)=O 2356631353 ZIISMZIZMXGTAW-UUJQYYJQSA-N 422.562 4.766 0 1 HJAF COc1cc(CC[C@H](C[C@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)ccc1O 2356654827 LTROEBZFOSNZKT-GGAORHGYSA-N 420.546 4.947 0 1 HJAF CCN1c2ncc(CSc3ccncc3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841436 AHAQASQWEHMCHG-UHFFFAOYSA-N 411.918 4.565 0 1 HJAF CC1=NN(c2cccc(Cl)c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 5964600 PQVPWQTUNDHUAD-IBGZPJMESA-N 414.943 4.970 0 1 HJAF COc1ccc2c(c1)C[C@@H](CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O 13589206 OTRBXADIASNSBW-OAHLLOKOSA-N 408.473 4.600 0 1 HJAF O=C(O)CCc1cc(Br)c(OCc2ccccc2)c(Br)c1 14969130 ZCVQDNGOBFARHQ-UHFFFAOYSA-N 414.093 4.808 0 1 HJAF in-vivo O=C(Nc1c(F)cc2c(c1F)CCC(F)(F)[C@@H]2O)c1cc2cc(Cl)ccc2[nH]1 34105378 NUFIIKLVNAEDGC-QGZVFWFLSA-N 412.770 4.967 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 36153156 RYPMTHMHTXUIIA-JZVUSVNDSA-N 400.607 4.545 0 1 HJAF COc1ccc(-c2cc(C(=O)Nc3ccc4[nH]c(-c5ccccc5)nc4c3)[nH]n2)cc1 45322372 LNJDFAYUAWAZBG-UHFFFAOYSA-N 409.449 4.881 0 1 HJAF CCOc1ccccc1CN1CCC2(CC1)CCN(Cc1ccc(Cl)cc1)C2=O 64527940 MVARODCBJQLTAB-UHFFFAOYSA-N 412.961 4.753 0 1 HJAF O=C(NCC1CC1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1F 82151564 SIPYFNUDXKEIRF-UHFFFAOYSA-N 424.907 4.731 0 1 HJAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 82198566 QYANJGUVPLLCBQ-TXMXHBMUSA-N 422.569 4.769 0 1 HJAF CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)cc1 102738630 FUMFVNYGXXFKER-JOCHJYFZSA-N 412.530 4.531 0 1 HJAF CCc1ccccc1NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1 113391371 DFAJKPSCTMTXGX-UHFFFAOYSA-N 409.497 4.664 0 1 HJAF CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1 142568664 MURDVKZEODMGPZ-UHFFFAOYSA-N 400.813 4.951 0 1 HJAF CCCOc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br 586882432 SWSZDJAXNXRTSV-FPLPWBNLSA-N 401.260 4.879 0 1 HJAF Cc1cc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 586955112 UGBINQLSRTWJIV-UHFFFAOYSA-N 419.550 4.901 0 1 HJAF CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1 586985589 PKCNNVZYUOKNQO-LJQANCHMSA-N 412.331 4.624 0 1 HJAF C[C@@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O 586990121 VLZKCAVIFRVWRP-CYBMUJFWSA-N 411.413 4.671 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCC(C(F)(F)F)CC3)s1)O2 587384130 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4.935 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccn3)n2)N1 587852119 KMASFGAOGXTQGQ-BMLIUANNSA-N 404.308 4.730 0 1 HJAF Cn1c([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)nc2ccc(Cl)cc21 962716044 QCPMLFFTZMWHAF-NYHFZMIOSA-N 415.965 4.993 0 1 HJAF Clc1ccc(-c2nnc3sc(COc4ccc(Br)cc4)nn23)cc1 1772657873 BIIMSUMUZBLRHD-UHFFFAOYSA-N 421.707 4.848 0 1 HJAF Cc1cc(N)c2cc(Nc3cc(Nc4ccc5nc(C)cc(N)c5c4)ncn3)ccc2n1 1857576734 GQAMCIQIADSXEU-UHFFFAOYSA-N 422.496 4.841 0 1 HJAF Brc1ccc(OCCn2c(=NCc3ccco3)[nH]c3ccccc32)cc1 1857579808 PBLDFSLGZIBZER-UHFFFAOYSA-N 412.287 4.505 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213239 LTGYIRYKKACOTF-NTUVXCKYSA-N 409.574 4.920 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCC(C)(C)CO 4273761 FUVBCIFXNQTZEG-XZOQPEGZSA-N 410.558 4.988 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](N5CCCC5)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@@H]2O 31872196 KRHIHQCEBCPCIT-YQNXASARSA-N 409.618 4.822 0 1 HJAF Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3)nn2)c1 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Cc1c(Br)ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586983386 BOFMZUAFPSZBJP-ZDUSSCGKSA-N 409.125 4.639 0 1 HJAF Clc1ccnc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc12 587021850 SDMVFLNDXNAEKK-UHFFFAOYSA-N 404.886 5.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc3nc(O)[nH]c3c1)O2 587379716 WGXBKHBGLAOITG-HSZRJFAPSA-N 419.868 4.722 0 1 HJAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587420333 ICZKYDMOEMCWLO-VBKZILBWSA-N 407.249 4.510 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](C1CCN(C(=O)OCc3ccccc3)CC1)CC2=O 587474800 JXAZBORKNHMNJS-HSZRJFAPSA-N 423.509 4.727 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nsc1NC(=O)OCC)CC2=O 587495911 QJGIVRMOQCAJMD-FQEVSTJZSA-N 404.488 4.559 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1)c1ccccc12 587519234 WRDRCXVIAQXPOL-MHZLTWQESA-N 409.485 4.973 0 1 HJAF CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 587523947 IMAZMZCXPCJLQT-AREMUKBSSA-N 415.489 4.623 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1 587559177 ZINLQFJOTYGMCC-FXAWDEMLSA-N 402.324 4.994 0 1 HJAF O=C(c1csc2c1CCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660429 FCJSPMKAKWEVNW-UHFFFAOYSA-N 404.466 4.831 0 1 HJAF Cc1ccncc1[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587772229 DZWILMOAQOLRLT-SZNDQCEHSA-N 412.306 4.513 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnn1C(F)F 587855179 LDPPLJXPPMVCGD-UHFFFAOYSA-N 401.200 4.536 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)S1 587855243 IBAFDHWFNJVYBY-XXFAHNHDSA-N 423.355 4.652 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc2c(n1)[nH]c1c(C)cccc12 587864343 XZMPREFMUJEMPG-UHFFFAOYSA-N 424.386 4.695 0 1 HJAF CCc1ccc([C@H]2c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962623477 DSLZASWIGUVXJU-VXKWHMMOSA-N 423.509 4.787 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@](COc1ccccc1)(c1ccc(Cl)cc1)NCC2 962937891 SWSGTHDZULUCPH-VWLOTQADSA-N 420.940 4.510 0 1 HJAF COc1c(C)cc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1C 963188244 VYTBEIOFZUWGKT-IAGOWNOFSA-N 413.823 4.673 0 1 HJAF COc1ccc(-c2cc(=O)c3ccc(OCCCN4CCC(C)CC4)cc3o2)cc1 1857640498 CQWISNLSWROCGQ-UHFFFAOYSA-N 407.510 4.969 0 1 HJAF CCCCCC[C@@H](C)C=C(C)C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 2356464930 GGAGAVWBROLYIO-XMSQKQJNSA-N 401.547 4.702 0 1 HJAF COC[C@H](CC=Cc1ccc(OC)c(OC)c1)[C@@H](OC)c1ccc(OC)c(OC)c1 2356583285 POJZGFBYCGEYIF-CYFREDJKSA-N 416.514 4.775 0 1 HJAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4055373 MUCPLGJCQOZYCH-UNMCSNQZSA-N 414.933 4.708 0 1 HJAF CC(C)(C)c1ccc(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 13601658 DKAZHQXQIKBPTF-HSZRJFAPSA-N 411.505 4.530 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26724014 ZUTDWEZJQLTNOA-ICSRJNTNSA-N 424.566 4.950 0 1 HJAF CCN(CC)CCC[C@@H](C)Nc1nc(C(=O)Nc2ccccc2)nc2ccccc12 28522302 PIHADFDCPYTOHF-GOSISDBHSA-N 405.546 4.805 0 1 HJAF COc1ccc(-n2c(S)nnc2-c2cc(-c3ccc(F)cc3F)ccc2O)cc1 28712832 HUJHGYYAQSPYRP-UHFFFAOYSA-N 411.433 4.882 0 1 HJAF Cc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1 40412793 JNFNSGWGHPKSEY-UHFFFAOYSA-N 414.309 4.866 0 1 HJAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(C)=O)C4=O 40893016 XJIQZDAORXBZNT-SSNNUKRDSA-N 418.574 4.711 0 1 HJAF O=c1c(CN[C@@H](CO)c2ccccc2)coc2cccc(OCC3CCCCC3)c12 53242846 FDBKDAIOMKCREN-NRFANRHFSA-N 407.510 4.575 0 1 HJAF COc1ccc(C(F)(F)F)c[n+]1CCCCCOc1ccc2c(C)cc(=O)oc2c1 96938840 OJPOVFHZRWWDBF-UHFFFAOYSA-N 422.423 4.666 0 1 HJAF NCCCCN1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100884294 VYRDPBDLAQLRSZ-VXKWHMMOSA-N 400.513 4.805 0 1 HJAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1Cl 103211763 HJFRTFAZMPXYOW-FQEVSTJZSA-N 401.857 4.603 0 1 HJAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(CN3CCCC3)cc1)[C@@H]2c1ccccc1 118617201 QRRXIQPVIZSLHQ-ZCYQVOJMSA-N 422.532 4.818 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 169368486 HNCAMNUTTBOMFY-SMIYNLNTSA-N 402.623 4.725 0 1 HJAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Br 473104908 PSMRORAKZOBLCG-UHFFFAOYSA-N 415.291 4.802 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)C2 586889039 ZYHYCFASVYPNDI-LPEHRKFASA-N 415.209 4.863 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(C)cc2[nH]1 586938553 WFLJDWFWYOJURG-QGZVFWFLSA-N 417.600 4.569 0 1 HJAF Cc1cc(Br)c2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3)nc2c1 587113185 YWXIBYDBPDMMMS-UHFFFAOYSA-N 412.209 4.583 0 1 HJAF O=C(c1nc2c(O)c(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132507 CDLRGHZTSAQXBE-UHFFFAOYSA-N 404.022 4.708 0 1 HJAF Cc1c(Br)cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1C 587174068 FLMFBRSBNQTKRN-HNNXBMFYSA-N 401.283 4.805 0 1 HJAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)c(C2CC2)n1 587229889 KXRRGTAWFKZCOI-UHFFFAOYSA-N 400.429 4.805 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)O2 587385025 LDCDALQGDIJMKG-XMMPIXPASA-N 405.425 4.962 0 1 HJAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1Oc1cc(O)ccc12 587530780 HERBWXHVVHPNGB-UHFFFAOYSA-N 400.430 4.991 0 1 HJAF Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1C 587578849 BHURDHIPOLXZKW-WIOPSUGQSA-N 412.445 4.898 0 1 HJAF C[C@@H](NC(=S)n1ncc2ccc(Cl)cc2c1=O)c1ccc(Cl)cc1Cl 587654257 JPUNLZQUCDBEJB-SECBINFHSA-N 412.729 4.841 0 1 HJAF Cc1nc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587679014 DWUFQCHMRHSILF-PWJLMRLQSA-N 414.116 4.678 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)cc(OC)c1 587864196 GPDMJCZUFNWNKS-UHFFFAOYSA-N 420.387 4.673 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cccc(Br)c1 587869998 XFSAJDUDLBTTRR-UHFFFAOYSA-N 419.250 4.570 0 1 HJAF Cc1cc(-n2c(CCC(=O)O)ccc2-c2ccccc2)nn1Cc1ccccc1F 587946578 ZKWPVYPIIDDRBF-UHFFFAOYSA-N 403.457 4.854 0 1 HJAF Cc1cccc(C)c1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1 653730873 UBMQECHRFHGCMY-UHFFFAOYSA-N 405.630 4.770 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1 962906551 GTDXCYDTZKNBTO-VXKWHMMOSA-N 411.860 4.746 0 1 HJAF O=C(C[C@@H]1C(=O)CCC[C@]12NCCc1ccc(O)cc12)c1ccc(Cl)cc1Cl 963328513 HDKKZLWOZNKFGY-XMSQKQJNSA-N 418.320 4.682 0 1 HJAF OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1 1857612670 SPXSEZMVRJLHQG-XMMPIXPASA-N 403.522 4.801 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@@H]1OC(=O)CC(C)C 2356385405 MECYONIBORKUBT-NAOSLSSXSA-N 402.531 4.939 0 1 HJAF CC[C@@H](Cc1ccc(OC)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358311 RENIXNFHBZKVGV-HNNXBMFYSA-N 409.404 4.549 0 1 HJAF CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 13801279 VXHZLNROZFTYBS-UHFFFAOYSA-N 400.564 4.763 0 1 HJAF C/C=C/[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823237 COYSKMOPPDEVFR-OOPCZODUSA-N 400.327 4.646 0 1 HJAF COc1ccccc1CCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 49052570 YKCXYNCLHSMBJV-XMMPIXPASA-N 403.522 4.534 0 1 HJAF CCS(=O)(=O)CCC12CCC(c3nnc(-c4cccc(Cl)c4)n3C)(CC1)CC2 71316699 FDUGOQBNTQPANC-UHFFFAOYSA-N 421.994 4.552 0 1 HJAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 71789476 DHQKEJXDOCFTPI-PNFAOAAFSA-N 418.574 4.586 0 1 HJAF CNC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113657216 DOLDYUXQWQXPRT-UHFFFAOYSA-N 411.509 4.758 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)c3ccc4c(c3CN2C1)C[C@H]1[C@H]4C[C@@H](O)[C@H]2C[C@@H](O)CC[C@@]21C 197879113 BTAYCTHBBSLSCE-BJXRKVEWSA-N 409.614 4.592 0 1 HJAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCc2ccc(Cl)cc21 299818916 BFECYWDJJCWAIJ-UHFFFAOYSA-N 400.887 4.624 0 1 HJAF COc1cc(OC)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586959622 KQXSMQJVBRRTBY-LJAQVGFWSA-N 406.507 4.618 0 1 HJAF CCOC(=O)CCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986901 QVHWHSGEEYRPSD-UHFFFAOYSA-N 415.367 4.666 0 1 HJAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c3c(ccc2[nH]1)CCCC3 586999790 IDDOVDILDHMNLM-UHFFFAOYSA-N 411.255 4.683 0 1 HJAF Cc1ccc(-c2nc(-c3nc4ccc(I)cc4[nH]3)cs2)o1 587016226 IBVULIQHSXJPBV-UHFFFAOYSA-N 407.236 4.859 0 1 HJAF O=C1CCc2cc3nc(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)[nH]c3cc2N1 587067688 KWZQPPJYMFMCIX-UHFFFAOYSA-N 403.869 4.927 0 1 HJAF Oc1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587077331 USTUODANIWZVBQ-UHFFFAOYSA-N 419.666 4.520 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(N5CCNCC5)cc4)nc13)-c1ccccc1C2=O 587098885 WYQLHLLNVLYAGD-UHFFFAOYSA-N 405.501 4.831 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587169919 FVRXYLYBRIMGGW-UHFFFAOYSA-N 422.894 4.588 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3c2)cc1 587244980 UEQMSFNWVOCOQN-BUHFOSPRSA-N 413.433 4.794 0 1 HJAF CCn1ncc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334508 UWFXCQIEWDWWIR-RXVVDRJESA-N 400.837 4.675 0 1 HJAF C[C@H](CCCCC(=O)O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351331 JMSKIWLQANRTAB-LMIFWLCCSA-N 400.446 4.930 0 1 HJAF O=C1c2ccc(O)cc2OC2([C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)[C@H]1c1ccc(F)cc1 587356177 ZCSSEVRKKPPABU-ZTRJFOIMSA-N 422.452 4.540 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(OCC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526952 VGUBJJRHDGPVSR-VWLOTQADSA-N 408.494 4.778 0 1 HJAF COc1ccccc1-c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)on1 587586933 LVAWXXFSKZVNDE-XUZZJYLKSA-N 415.401 4.759 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccc3F)CC2)N1 587725843 GSLHOBFBKGTVIT-ZDUSSCGKSA-N 407.302 4.757 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2ccccn2)N1 587734804 VVCFAAMHPRITCS-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cccc(N)c12 587748708 XWQFFGCRKYOCMT-IPQOISQHSA-N 409.302 4.977 0 1 HJAF Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587754403 YJVCUFZSMLLSKT-WVDJIFEKSA-N 418.310 4.916 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1 587766786 HIVLJOBYEAXJSV-PRWKNARSSA-N 407.327 4.784 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587797863 XXNZDPKYBVXBLH-WSVYEEACSA-N 417.322 4.616 0 1 HJAF COc1cc(C)c(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809952 VVJKJKAOHTZYCL-YEJXKQKISA-N 422.338 4.906 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)s2)N1 587853314 MRTMMOUCYLDLND-APPDUMDISA-N 410.356 4.659 0 1 HJAF CC[C@@]1(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC(=O)c2ccccc2C1 587962274 WQTGJVKWQPACNG-SFHVURJKSA-N 408.811 4.745 0 1 HJAF COc1ccc2c(c1OC)[C@@]1(CCc3cc(Br)ccc3C1)N(C)[C@@H](C)C2 962630655 NRBGZINIXQRPBN-FPTDNZKUSA-N 416.359 4.727 0 1 HJAF CC(C)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962693547 APCPGULAHSQRKR-IEBWSBKVSA-N 417.349 4.621 0 1 HJAF CC(C)c1nn(C)c2c1[C@](CCc1cccc(Br)c1)(C1CC1)NCC2 962919290 OXPMIAURSLZMBS-NRFANRHFSA-N 402.380 4.690 0 1 HJAF OCc1ccc(-c2cc3c(=Nc4cccc(OCc5ccccc5)c4)nc[nH]c3[nH]2)cc1 1857636382 JUBQAUYFWNTHCQ-UHFFFAOYSA-N 422.488 4.862 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCC(Nc3cccc(C(F)(F)F)c3)CC2)c1 1857637544 KTBCJQSWCYGNLI-UHFFFAOYSA-N 408.493 4.991 0 1 HJAF C[C@@H]1/C=C/CC(=O)N2[C@H](CC(=O)N[C@@H]1c1ccccc1)C[C@@H](C)[C@H]2c1ccccc1 36381795 KZQIDWVGSIGTGJ-VBXLEPTGSA-N 402.538 4.808 0 3 HJAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCCOc3ccc(F)cc3)cccn12 61905617 NUTVMRVKZRMAPC-UHFFFAOYSA-N 413.493 4.639 0 3 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)[C@@H]1c1c[nH]c2ccccc12 2469289 IIOGCOSWGVBHOG-GOTSBHOMSA-N 413.452 4.856 0 1 HJAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCOc2ccccc2)cc1 2480582 CKBXKWBZBGADON-UHFFFAOYSA-N 420.490 4.888 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215200 GFBBCSZINJABQE-ZMVGRULKSA-N 418.578 4.622 0 1 HJAF COc1ccc(CNc2ncnc3ccc(-c4ccccc4OC)cc23)c(OC)c1 4265111 OSVZIASUYIZLLS-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCC(C)(C)CO 4273878 QYAFTBZAHSGNDL-RBUKOAKNSA-N 412.933 4.628 0 1 HJAF Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cnc(C)nc4)CC3)cc2)c1 11878396 CHWSORHFZGHABC-UHFFFAOYSA-N 400.526 4.611 0 1 HJAF COc1cccc(/C(=C\c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C(=O)O)c1 13609292 IGPLLZNLCLAPCI-XYOKQWHBSA-N 406.221 4.807 0 1 HJAF O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)C1CCCC1 13835835 OJFDFZDJBGCLLL-SANMLTNESA-N 412.618 4.615 0 1 HJAF O=[S@](c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)(F)C(F)F 28218769 RERPMDFWXMBVKD-MHZLTWQESA-N 404.335 4.987 0 1 HJAF O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)o1)N1CCN(C2CCCCC2)CC1 42878755 QKCSGKDZBBTOFA-UHFFFAOYSA-N 422.447 4.936 0 1 HJAF CN(Cc1nc2cccc(CCCN3CCCCC3)c2[nH]1)[C@H]1CCCc2cccnc21 45256559 MKNFQYOGYHJLFR-QHCPKHFHSA-N 417.601 4.886 0 1 HJAF O=C(OC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72179658 BYZADBZMIADUFU-UHFFFAOYSA-N 406.486 4.934 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82151605 GNPZZPQKNDEGQI-UHFFFAOYSA-N 418.516 4.854 0 1 HJAF COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC 96284496 KMQHCXSTAQSUDR-UHFFFAOYSA-N 424.932 4.504 0 1 HJAF CN(C)CCCCN1CCN(CCCCCCCCCOc2ccccc2)CC1 103192191 FTFNDLBIAALVFE-UHFFFAOYSA-N 403.655 4.756 0 1 HJAF CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(Cl)cc1OC 103909236 HLDUGGZYDJGLKU-LJQANCHMSA-N 405.878 4.729 0 1 HJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3nc(Br)c[nH]c-3n2)c1 586879505 RZCXRMSRKNYCJK-UHFFFAOYSA-N 407.271 4.582 0 1 HJAF C[C@H](OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 586990624 ZWFPVJMIZJVLPE-HNNXBMFYSA-N 409.441 4.999 0 1 HJAF O=C(Nc1nc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cs1)c1cccc(O)c1 587019083 FYMUCGVYEPTBDF-UHFFFAOYSA-N 419.293 4.875 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587330156 NOULVVPMEPTOQV-KNQAVFIVSA-N 412.800 4.524 0 1 HJAF Cc1ccc(Cl)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336561 YYERUWHUAOZYNU-WZONZLPQSA-N 423.827 4.700 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399597 LZBCWJUAZKBCJK-RUZDIDTESA-N 401.462 4.911 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CCC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587401637 UWADDOBSPLUQNB-HBNMSFMJSA-N 420.509 4.635 0 1 HJAF CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587481645 RETAJEYBPPAWMT-UQMDZTKYSA-N 400.515 4.994 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(Cl)c1 587540652 BGCLWRXGRCYLEO-OFNKIYASSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)c(F)c1)CC2 587568423 LPQNJSDVUUGDFI-NRFANRHFSA-N 423.415 4.671 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587693726 OBJGBFWHDNMLLF-PWJLMRLQSA-N 400.675 4.579 0 1 HJAF COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC 587696607 LLMSUGIVCTVKBV-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711586 LENBDLNGFKHPMW-BCTVWOGZSA-N 404.201 4.936 0 1 HJAF CCC(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587745476 WGTZDLMKQOIAIG-MPBGBICISA-N 405.311 4.734 0 1 HJAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1 587751821 AXYFPXDONXKUAE-MPBGBICISA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccn(C)n3)c2)N1 587767424 YXDJOVPIKVSJBI-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF Cc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587772687 GBJNWRNXXLINJE-XCLFUZPHSA-N 412.306 4.977 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1F 587861230 OUFUQSUOKHXBHU-LBPRGKRZSA-N 408.351 4.824 0 1 HJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(I)cc2[nH]1 587928081 WBBXUCBFGWXCMO-CYBMUJFWSA-N 422.266 4.727 0 1 HJAF COc1ccc(/C=C\Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c1 587930244 RJQFPWUMZNSYCU-ARJAWSKDSA-N 400.482 4.667 0 1 HJAF O=C1CCC(c2ccccc2)(c2nc3cccc(I)c3[nH]2)CC1 587970685 MMDGGCLTDYJSKO-UHFFFAOYSA-N 416.262 4.597 0 1 HJAF O=C1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 653697690 RMUBLIPLPBHVJG-RUZDIDTESA-N 424.588 4.770 0 1 HJAF O=C1c2ccccc2[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2ccc(CO)cc21 962674467 XRBPJERYHKUPEH-GDLZYMKVSA-N 417.508 4.828 0 1 HJAF CC[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c2ccccc12 1857569807 QTLJEHGFCKGGOD-ZDUSSCGKSA-N 417.458 4.655 0 1 HJAF Clc1ccc(-c2nc3cnc(-c4ccccc4)cn3c2CN2CCOCC2)cc1 1857774414 ABFRLRSYDPITSQ-UHFFFAOYSA-N 404.901 4.549 0 1 HJAF COc1ccc(-c2nc(CN3CCN(Cc4cccc(Cl)c4)CC3)c(C)o2)cc1 20860673 KYILCDBUDNVECC-UHFFFAOYSA-N 411.933 4.630 0 3 HJAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774565 YCJZCMXOSSJKGW-HZPDHXFCSA-N 402.903 4.757 0 1 HJAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](O)CC 774622 NCCFKCHOUIYBDD-CQSZACIVSA-N 414.889 4.561 0 1 HJAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCN(C)CC1 22937650 CYLYKAKQKRYSDE-UHFFFAOYSA-N 411.549 4.581 0 1 HJAF O=c1on(C(=S)Nc2ccc(F)cc2)c(-c2ccncc2)c1-c1ccc(F)cc1 29054749 RLIJPLNYUFBNCA-UHFFFAOYSA-N 409.417 4.694 0 1 HJAF Cc1cc(C(=O)c2ccccc2Br)ccc1OCCN1CCCCC1 40952923 NIWPYNWGDMYZQF-UHFFFAOYSA-N 402.332 4.853 0 1 HJAF CO[C@@H]1OC[C@@H]2[C@@H](O)C[C@@H]3[C@@](C)([C@@H]12)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]31C 49802791 PROADJNCLZGCAJ-XNJMMOFGSA-N 420.634 4.622 0 1 HJAF COc1cccc2c(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cn(CC3CCCCC3)c12 64560772 GZKSAQUUENNDEG-UYAOXDASSA-N 409.574 4.539 0 1 HJAF O=C(OCc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102273 DWDSVHHGSJXVPY-QHCPKHFHSA-N 421.928 4.779 0 1 HJAF CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(Br)cc2c1=O 73219306 ULDWTPSGOIKTOY-UHFFFAOYSA-N 402.288 4.619 0 1 HJAF Cc1cccc(-c2nc(NCc3ccccc3F)sc2-c2ccc3ncnn3c2)n1 84740792 JQZGDZPOTURSKE-UHFFFAOYSA-N 416.485 4.974 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@H]1CCO 95557632 DTHAZWISDCZITF-GOSISDBHSA-N 416.518 4.641 0 1 HJAF CCN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 100633259 FLLFTNRDBTYQIZ-OPAMFIHVSA-N 419.550 4.574 0 1 HJAF COc1ccc(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1 113193103 JTLUUMDUCUTWEW-UHFFFAOYSA-N 414.387 4.916 0 1 HJAF COc1cccc(F)c1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143189389 OMKAJNDPKOXDJE-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF COc1cnc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1Cl 587064700 NGXYEIFQLOBRPZ-UHFFFAOYSA-N 422.588 4.948 0 1 HJAF CCOc1cc(/C=C\c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)ccc1OC(F)F 587130031 JDMKUCPQVZAEND-POHAHGRESA-N 418.396 4.529 0 1 HJAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(F)c2)c(F)c1 587150867 FYIGMQNLCQVJLV-UHFFFAOYSA-N 407.376 4.515 0 1 HJAF C[C@@H](c1nc2ccnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199746 MURRMUUUIUUEBJ-AWEZNQCLSA-N 414.465 4.605 0 1 HJAF CCOC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353440 ZHNWPLOLWTXXIV-NOZRDPDXSA-N 420.436 4.739 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Br)s1)O2 587410797 PUWDQWCESVTDMC-GOSISDBHSA-N 424.316 4.517 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCc4c(OC(=O)c5ccccc5)cccc41)[C@@H](C2)C3=O 587441297 GCPHBCXJKIKBLT-RXFWQSSRSA-N 412.441 4.504 0 1 HJAF CC(C)(C)NC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514959 YTMVMTUNASLPLM-JOCHJYFZSA-N 407.510 4.565 0 1 HJAF FC(F)(F)Oc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br 587565553 DGNLUYLPAHBLQP-UHFFFAOYSA-N 415.209 4.983 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccn1 587568502 DRCVWTDSMAPXGO-RCZVLFRGSA-N 413.404 4.832 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccccn1 587576634 KCFIGATTZJMSSE-RDGATRHJSA-N 412.445 4.534 0 1 HJAF COC(=O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592731 JXNHOKPYIXZVEQ-DHLKQENFSA-N 418.445 4.593 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 587726989 AMUDAFLMFKSQIM-YBTHPKLGSA-N 418.285 4.845 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(/N)c2ccco2)(C(C)(C)C)N1 587746551 GWMGQEPLAXTLJJ-WCTZQBBCSA-N 407.327 4.957 0 1 HJAF COc1cccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587754194 DGHMGZQMQVXOAE-WYRIXSBYSA-N 403.295 4.712 0 1 HJAF CC1CCC(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1 587765417 BYAHTVYDKVPDLR-ISXOHVOVSA-N 409.387 4.992 0 1 HJAF CC[C@@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808115 OZTRLUWAWVOHRI-ASSNKEHSSA-N 422.338 4.988 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC[C@H]3CCCO3)cc2)N1 587834713 SBPULSGBDDQBEN-PJUBBZNESA-N 420.322 4.770 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1F 587865335 VAZUBYMLRBEYAR-UHFFFAOYSA-N 408.351 4.826 0 1 HJAF CN(C)[C@H](Cn1c(O)cc(-c2cccc(F)c2)c1O)c1cccc(Br)c1 587941812 VVTJXKXJMDNLFM-GOSISDBHSA-N 419.294 4.771 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2c1 587952466 RNMQLRNHBVYICS-GUXCAODWSA-N 407.580 4.688 0 1 HJAF Oc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)cc1 653719102 MWVDLRPQVQMFCC-FYYLOGMGSA-N 414.509 4.618 0 1 HJAF O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(O)cc2)CC1 1857644601 FTVGDRKKJVKLHA-SAZUREKKSA-N 410.392 4.803 0 1 HJAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)nc2ccccc12 2356721937 TZNSCYJMVXROOH-CJFMBICVSA-N 414.553 4.633 0 1 HJAF CCC1(CC)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21 13475193 IOZUIJXKIZUCJY-UHFFFAOYSA-N 417.296 4.941 0 1 HJAF O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccnc1 13489825 PSEYYXAAEVTFBP-UHFFFAOYSA-N 414.305 4.799 0 1 HJAF CSCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585139 JMAACHHHTNYVME-UHFFFAOYSA-N 421.762 4.654 0 1 HJAF Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)s1 13610441 DLHLOWZPQSHARU-UHFFFAOYSA-N 403.511 4.890 0 1 HJAF CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1 28963523 LYORYXQCPXHWQG-UHFFFAOYSA-N 418.520 4.871 0 1 HJAF Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@H]2SC(=O)NC2=O)cc1 29489539 HRZPJKZBVSIPLB-RRFGBZISSA-N 404.491 4.800 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801295 FZSXHRMZIAUGIF-MNLGXKRNSA-N 402.623 4.772 0 1 HJAF COc1cccnc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCCC(C)(C)C)cc2c1 72178662 XRTJBGHFZMXONU-INIZCTEOSA-N 420.557 4.619 0 1 HJAF CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 82139314 QDWPOQGZSTVTIC-UHFFFAOYSA-N 424.495 4.804 0 1 HJAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCc1ccccn1 82181359 ORQPVCGAGIFZMY-UHFFFAOYSA-N 406.921 4.682 0 1 HJAF CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2cc(OC)ccc2OC)cs1 82197849 PSOMZRRCZJBXLI-OAHLLOKOSA-N 405.564 4.572 0 1 HJAF COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1OC 102704508 JOPSMJSTROOUEO-QFIPXVFZSA-N 405.454 4.734 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccs1 103190362 SORRHFVAGCRBGU-OAHLLOKOSA-N 424.333 4.874 0 1 HJAF COc1ccc(F)cc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143168244 ROWKGBJMLVUFFH-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF COc1ccc(C(=O)C2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1OC 473170681 QTAOXYKUVXYRSC-UHFFFAOYSA-N 424.472 4.593 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586882727 APMQDPCLCFHRCT-KUEQOTSFSA-N 411.141 4.951 0 1 HJAF Brc1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc2c1OCCO2 587001564 NSJYQROMINUETO-WAYWQWQTSA-N 408.255 4.815 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(Br)cc3[nH]2)s1 587023712 UZMWAKFLSPHKCI-UHFFFAOYSA-N 413.272 4.935 0 1 HJAF Clc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2nc1Cl 587028971 DCJJFYMEGXLCED-UHFFFAOYSA-N 401.282 4.786 0 1 HJAF COC(=O)c1ccnc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 587068337 RHZXEHXUZIMEGB-UHFFFAOYSA-N 419.828 4.511 0 1 HJAF Fc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1Br 587119328 SPZJLSJVEVCDOF-UHFFFAOYSA-N 403.177 4.606 0 1 HJAF CN(C)CCOc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587162110 CPUGMZCTVBWJFM-UHFFFAOYSA-N 403.457 4.540 0 1 HJAF CCCOc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587164651 YOBNOYHNLKXXHY-GOSISDBHSA-N 406.299 4.904 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cnc(Nc4ccc(Cl)cn4)s1)[C@@H](C2)C3=O 587450286 IJOUTPRPSVBNSW-RNODOKPDSA-N 413.886 4.607 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1OC(F)F 587552697 BKFRKAMKSHZWOY-XLIONFOSSA-N 402.324 4.836 0 1 HJAF CC1(C)OCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587616822 MITCUSUUQCXQJU-NZQKXSOJSA-N 404.418 4.740 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1O 587692000 JGZNRPYZQGZROV-WNWIJWBNSA-N 400.675 4.579 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798119 NWPMRUNCDXYSGJ-QKKBWIMNSA-N 420.322 4.546 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)no2)N1 587799254 XLAWKGHWQAGFRI-ODXCJYRJSA-N 417.278 4.779 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccccc2C(=O)O)N1 587846761 RMEGRDOXAMMXQY-NSPYISDASA-N 424.335 4.828 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3sccn23)N1 587853550 AGZTUSHBSDLENN-KRTXAFLBSA-N 400.704 4.574 0 1 HJAF NCCc1ccc([C@@]2(c3ccco3)NCCc3cccc(-c4ccccc4)c32)s1 962662560 DVSCTGOAFLNOIG-RUZDIDTESA-N 400.547 4.947 0 1 HJAF COc1cc([C@@H]2NCCc3c2sc(C)c3C)ccc1OCc1cccc(C(=O)O)c1 963029127 RBCJLUQJTJYBLM-QFIPXVFZSA-N 423.534 4.886 0 1 HJAF Cc1cccn2c(Br)c([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc12 963102635 FXOWONOEIMKDHZ-MAUKXSAKSA-N 400.295 4.654 0 1 HJAF Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2F)cc1 1857608052 HVEABAGWWBLXHR-UHFFFAOYSA-N 401.441 4.848 0 1 HJAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccc1 2356302319 RJNBALUTLTZDMU-JTHBVZDNSA-N 418.924 4.909 0 1 HJAF CC(=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O)CC[C@@H](O)C(C)(C)O 2356447454 SVSNSNSWTYASLF-HSZRJFAPSA-N 412.482 4.617 0 1 HJAF CCCc1cc(OC)cc(Oc2c(OC)cc(CCC)c(C(=O)O)c2O)c1C(=O)O 2356651683 XIJCKILIISXBES-UHFFFAOYSA-N 418.442 4.503 0 1 HJAF Cn1c(NCc2cccnc2)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O 61908573 UHFIIJOHKWMRQO-UHFFFAOYSA-N 416.428 4.688 0 3 HJAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 4207061 LXHCYXYECRBGOX-IFMALSPDSA-N 414.933 4.708 0 1 HJAF C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c(O)c2c(-c3ccccc3)cc(=O)oc12 14585961 ZJEGMYRKQKKGKH-KSSFIOAISA-N 422.477 4.580 0 1 HJAF biogenic CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@@]4(C)[C@@H]3CC[C@@]21C 26385621 CJNYDPBXKCGRGK-XKTHLEKXSA-N 402.623 4.580 0 1 HJAF Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccc(Br)cc3)O2)cc1 28766791 NVZNCSUZQNSSKL-RTBURBONSA-N 419.706 4.940 0 1 HJAF O=C1C(=O)N(Cc2ccc(Oc3nccs3)cc2)c2ccc(OC(F)(F)F)cc21 64548317 MWENRUWLOQDQFN-UHFFFAOYSA-N 420.368 4.564 0 1 HJAF CCCC(=O)Nc1nc(-c2ccc(C(C)=O)cc2)cc(-c2ccc(C(C)=O)cc2)n1 66112739 YIHZRZQLVILNKO-UHFFFAOYSA-N 401.466 4.954 0 1 HJAF COc1cc([C@@H]2NC(=O)Oc3ccc4oc5ccccc5c4c32)cc(OC)c1OC 72172362 JNZAVQZZNCTXQT-NRFANRHFSA-N 405.406 4.803 0 1 HJAF C/C=C1/[C@H]2C=C(C)C[C@]1(/N=C/c1cc(Cl)cc(OC)c1O)c1ccc(=O)[nH]c1C2 72266307 UYRWZANUXPUEPQ-WVOUIERYSA-N 410.901 4.526 0 1 HJAF investigational CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CC[C@@H]1CCCN1C 82186163 CBKPGJZBAWMBPO-IBGZPJMESA-N 422.577 4.588 0 1 HJAF Cc1csc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1 84632099 MCUGELDSKSWBGW-UHFFFAOYSA-N 421.570 4.549 0 1 HJAF Cc1cc(C)nc(OCCCn2c3c(c4cc(-c5nc(C)no5)ccc42)CCCC3)n1 95578174 IIBHCNVPYWOTGX-UHFFFAOYSA-N 417.513 4.754 0 1 HJAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccccc2F)[C@H](CO)N3)cc1 95667693 HDLAZZIATHKWGJ-MZBJOSPHSA-N 418.512 4.851 0 1 HJAF COC(=O)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cn1 587039207 BBSWSRYVTPOANP-UHFFFAOYSA-N 402.479 4.590 0 1 HJAF O=C(NCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1cccc(C(F)(F)F)c1 587113241 ZYKURANMQXKEIT-UHFFFAOYSA-N 423.394 4.743 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)ccnc4[nH]3)nc2n1 587114519 DCJWEWHSOBIMIL-UHFFFAOYSA-N 406.437 4.732 0 1 HJAF OCc1ccc(F)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587140745 PESQAPQAFIJSAY-UHFFFAOYSA-N 405.145 4.522 0 1 HJAF COC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335502 RDXORWIOOHVERN-FYYLOGMGSA-N 414.379 4.710 0 1 HJAF C[C@@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344624 HKAINWGGHPLFOB-REWPJTCUSA-N 405.381 4.652 0 1 HJAF C[C@]1(c2cccc(OC[C@H]3CO3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360315 UTJUMAVYYQDDEO-QUURXOELSA-N 420.436 4.583 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(C)cc4)nc1C(C)(C)C)[C@@H](C2)C3=O 587430714 GHGFAAXJDLWQSK-MBSDFSHPSA-N 402.494 4.976 0 1 HJAF O=C(O)c1ccc(Cl)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587653045 BSKDRWOKOICDFN-UHFFFAOYSA-N 412.779 4.683 0 1 HJAF Cc1cccnc1C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707266 SQBYUAKCXFAKMB-DIFFPNOSSA-N 417.244 4.826 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587738592 BNZYHZWHQHYFPE-YEJXKQKISA-N 421.354 4.672 0 1 HJAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587761239 AAFKYKWWNYBEQA-ZSEKCTLFSA-N 414.322 4.880 0 1 HJAF COCCCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798830 ZOFYOSRHJFWXFC-RBZFPXEDSA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587830416 SXGTVQIHUHDTGP-GIGQVBGESA-N 404.235 4.877 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(OCC(C)C)c1 587867330 BINYZEZXXCNSJG-UHFFFAOYSA-N 419.403 4.696 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2c1CC[C@@H](C)C2 587869177 BADVBSSVWQRYFS-LLVKDONJSA-N 421.444 4.847 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(C(=N)NO)c2)cc(-c2ccc3ncsc3c2)n1 653681066 ZOUVGETWIHTFRP-LBPRGKRZSA-N 404.499 4.539 0 1 HJAF CN(Cc1ccccc1)C(=O)c1cc2c(C(=O)OC(C)(C)C)ncn2c2ccccc12 653837701 UFMDSHFSGQDBLW-UHFFFAOYSA-N 415.493 4.715 0 1 HJAF C[C@H]1CN(c2ccccc2[C@@H]2c3ccsc3CCN2Cc2cccnc2)CCO1 963001001 XUJDYBUSTYTJPU-MHECFPHRSA-N 405.567 4.516 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C(F)(F)F)c3)C2)cc1 1772647907 FZUPIZUXVJYCHF-KBXCAEBGSA-N 424.438 4.742 0 1 HJAF CCOP(=O)(OCC)[C@@H](N(O[C@H](C)c1c[n+](C)cn1C)C(C)(C)C)C(C)(C)C 1857579518 SWPSBFJFCWSDLA-SJLPKXTDSA-N 418.539 4.581 0 1 HJAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H]2C[C@@H](C)CN[C@@H]21 2356340338 MJLSQBTUGWSIFX-GWSBOYBVSA-N 414.678 4.984 0 1 HJAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 2489347 XCMJIEKFXCBONW-HSZRJFAPSA-N 422.569 4.769 0 1 HJAF COc1cc(OC)c([C@H]2[C@@H](C)[C@@H](C)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC 15119526 WCERJEZPIONOJU-SVHKRRBISA-N 416.514 4.891 0 1 HJAF endogenous,in-man NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCC(c2cccc3ccccc23)CC1 26496430 HRZOOXCBXLHFRO-SANMLTNESA-N 414.549 4.822 0 1 HJAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(SC)cc1 27847128 KIGZVIXDPBEKCD-DHLKQENFSA-N 424.610 4.570 0 1 HJAF CCC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O 28652302 BEXZWJKLLDXOCX-INIZCTEOSA-N 423.431 4.687 0 1 HJAF in-vitro Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1 40421593 HBCGDPSRYUIERE-UHFFFAOYSA-N 409.898 4.793 0 1 HJAF C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 40423725 IGHOXILLFNEXFN-CRAIPNDOSA-N 407.341 4.542 0 1 HJAF CCn1cc(C(N)=O)c(=O)c2cc(F)c(Oc3ccccc3)c(Oc3ccccc3)c21 40917818 BIOQGEUGORUFNX-UHFFFAOYSA-N 418.424 4.844 0 1 HJAF N=C(N)c1cccc(OCc2cccc3c(COc4cccc(C(=N)N)c4)cccc23)c1 43012607 MQFFXRCLXCVDAI-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C)cc2n1 45321173 YEWKMXVZMMJARV-UHFFFAOYSA-N 415.472 4.983 0 1 HJAF CNC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 45413520 DBBITEIPVTWQNR-LLVKDONJSA-N 406.498 4.789 0 1 HJAF NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCc1ccccc1 49052967 BGDLFFRYZTVYMU-UHFFFAOYSA-N 404.901 4.643 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cccnc2[nH]1)C(F)(F)F 64274889 WFIFLFARTXGDFP-HXUWFJFHSA-N 410.411 4.914 0 1 HJAF OC(c1cnc(C2CCN(c3ccccc3)CC2)s1)(C(F)(F)F)C(F)(F)F 64540115 WRHGEZLFLKFVRQ-UHFFFAOYSA-N 410.383 4.839 0 1 HJAF COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2ccc(F)cc2)cc(OC)c1OC 72119900 NUTGWYIHRWBPTI-FGZHOGPDSA-N 407.441 4.723 0 1 HJAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2-c2ccccc2)C[C@H]2CC[C@H]1N2 100632776 WCHOTFXBPCUYEP-VGOFRKELSA-N 414.530 4.813 0 1 HJAF CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C 100726818 URWHLKOGTDACHK-XZOQPEGZSA-N 403.546 4.668 0 1 HJAF CCc1nc(-c2cccc(F)c2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294267 WHQWMXRYMTUADY-UHFFFAOYSA-N 413.880 4.659 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(CN3CCOCC3)cc2)n1)c1ccccc1 140994664 NKIQFKYVHQJQJY-QHCPKHFHSA-N 402.542 4.929 0 1 HJAF C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1ccc2c(c1)CCO2 149986653 DJZVLJCCZHIGGU-MRXNPFEDSA-N 419.452 4.862 0 1 HJAF COc1ccc(-c2cccc(Cc3c(=O)[nH]c(C)c4cc(OC)c(OC)cc34)n2)cc1 169703356 AVSVIHBZUKCMSC-UHFFFAOYSA-N 416.477 4.515 0 1 HJAF Cc1cc(C)cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)c1 204541807 CUMFGWIRHJJSSZ-UHFFFAOYSA-N 403.438 4.655 0 1 HJAF N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3ncc(Cl)c3n2)CC1 254091646 AOSKHAXBGHJEBD-XYPYZODXSA-N 409.296 4.601 0 1 HJAF CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12 261173536 UHMFNDHUKFJDDW-FSTMGOICSA-N 417.553 4.646 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586885899 OFLACJVPNGNWCN-GTNSWQLSSA-N 419.120 4.854 0 1 HJAF CCOC(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 586977921 VPNMTCRQPUFDSK-WEVVVXLNSA-N 401.260 4.681 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2 587032495 UAYDDOZRCMFBTR-JHFYRWCBSA-N 406.483 4.968 0 1 HJAF Oc1c(Br)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092643 XZGWVPUTTZMNBR-UHFFFAOYSA-N 404.211 4.747 0 1 HJAF FC(F)Oc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 587130781 QNEDSIGDQOWYQX-UHFFFAOYSA-N 419.023 4.751 0 1 HJAF CCCc1nc(-c2nc3c(C)cc(Br)cc3[nH]2)nn1-c1ccccc1F 587155979 KDHARSLQYBZDIR-UHFFFAOYSA-N 414.282 4.973 0 1 HJAF Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587167262 JTKDKQDLHTUBHC-UHFFFAOYSA-N 405.451 4.679 0 1 HJAF CC(=O)Nc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335174 KSUHBQQXZHHCCA-ILBGXUMGSA-N 417.436 4.690 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N1CCCC1)O2 587378189 SGWAAVWIPBJITP-IBGZPJMESA-N 401.304 4.646 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2C(F)(F)F)N1 587712074 NNRRJLPTEIMCCZ-VPTHRUTESA-N 404.201 4.936 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)nc2)N1 587713656 UBCKTFXRVVHYSS-ABKXIKBNSA-N 419.216 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Cc1cnc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 587001627 ORBROJPSGMCWOS-NSCUHMNNSA-N 406.667 4.624 0 1 HJAF Cc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073777 MRNZGBOTQMJVJJ-UHFFFAOYSA-N 407.783 4.730 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(C)(C)C 587205805 UHFUGLIGDPYQNW-LBPRGKRZSA-N 414.319 4.946 0 1 HJAF CCCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352300 WVNOSFDWDSWTRZ-FYYLOGMGSA-N 400.446 4.772 0 1 HJAF C[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359429 RRGZQXMDZGNDJU-QUURXOELSA-N 420.436 4.583 0 1 HJAF CN(C)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371802 DGOIZJMVVNKIDA-GMAHTHKFSA-N 411.498 4.799 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Br)ccc1N)O2 587378949 XFPSSHTZEBYWLM-JOCHJYFZSA-N 423.310 4.831 0 1 HJAF COc1cc2c3c(c1)O[C@](c1cccs1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587453777 YXRGJUHUJVRFAL-NPMXOYFQSA-N 403.459 4.776 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)CC2=O 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COc1ccc(C[C@H](C)c2nc3cccc(I)c3[nH]2)cc1OC 587927684 WFEKPFABMNVRRM-NSHDSACASA-N 422.266 4.531 0 1 HJAF O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@]2(C1)c1c(F)cccc1C[C@@H]1CCCN12 963093564 AIHRPSPFNFIFAD-GNBJCERTSA-N 418.512 4.670 0 1 HJAF CC1CCN(c2nc(C(C)(C)C)ccc2CNC(=O)Cc2ccc3c(c2)CCC3)CC1 1911582469 BOSTVQRPJAKMDO-UHFFFAOYSA-N 419.613 4.963 0 1 HJAF COc1ccc(C(=O)N2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)cc1 211061672 ZPDMGBWBQLWUKZ-GQYOZWOXSA-N 417.549 4.774 0 3 HJAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCCOC 2481026 CVICQAZXFBPPRE-UHFFFAOYSA-N 414.889 4.827 0 1 HJAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@](C)(O)CCC1CCCC1 25965153 NWZJYAFFJRBOHR-UWDBISRESA-N 420.590 4.510 0 1 HJAF CC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 27522528 PRROEJCMGFRHNK-CRAIPNDOSA-N 400.689 4.972 0 1 HJAF COc1cc(NCCCNC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12 45167466 FXNDLOLCXIUSSM-UHFFFAOYSA-N 404.297 4.782 0 1 HJAF CCCCCCOc1cc(NC(=O)C2CCCCC2)ccc1N(C)S(C)(=O)=O 45286143 GKSOBXUOCPYWLZ-UHFFFAOYSA-N 410.580 4.560 0 1 HJAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(Br)c1 45497784 FQYYSCPNTALLOP-UHFFFAOYSA-N 409.243 4.625 0 1 HJAF CCOP(=O)(/C=C\c1cc2c(s1)=C(C)O[P@](=O)(OCC)C=2C)OCC 64454212 SVPRPQMBXFCCFY-OPSAWKISSA-N 406.377 4.501 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1 82179237 DQRGEFYJLVJLHC-HXUWFJFHSA-N 405.546 4.974 0 1 HJAF c1ccc(CCn2c(-c3ccsc3)nc3c(NCc4cccs4)ncnc32)nc1 82197500 HANFJHHPSCKOTG-UHFFFAOYSA-N 418.551 4.866 0 1 HJAF CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82219455 VYRASCQLWHTIAT-UHFFFAOYSA-N 400.526 4.893 0 1 HJAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2-c2ccccc2)C[C@@H]2CC[C@H]1N2 96175213 WCHOTFXBPCUYEP-HTAPYJJXSA-N 414.530 4.813 0 1 HJAF O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccc(O)cc2s1 149444507 LFLCPJKSGMGJCU-LJQANCHMSA-N 417.490 4.502 0 1 HJAF CC(=O)N1CCc2c(nc([C@H]3C(C)=Cc4ccccc43)nc2NCc2ccccc2)C1 261178878 VOGXZKBBERDQIU-DEOSSOPVSA-N 410.521 4.542 0 1 HJAF C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cn2ccccc2n1 473120516 NWHLOJVALMEBJO-MRXNPFEDSA-N 417.440 4.575 0 1 HJAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586939526 VOVMLXCXRDJOTD-OAHLLOKOSA-N 416.305 4.684 0 1 HJAF NC(=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586997929 GAXSRBCXDSVXFA-UHFFFAOYSA-N 422.282 4.670 0 1 HJAF COc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl 586998478 KXQPXGVOVBZOGS-NSCUHMNNSA-N 407.651 4.887 0 1 HJAF CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)n1 587000493 OINJBTLLOLYQRG-UHFFFAOYSA-N 407.621 4.805 0 1 HJAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 587153960 GKTRRZQJGBWJLP-UHFFFAOYSA-N 401.850 4.823 0 1 HJAF Fc1c(F)c(F)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1F 587183955 LVOBARDYUGFVPC-SNAWJCMRSA-N 418.131 4.894 0 1 HJAF C[C@@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337439 VNDTZCRZCSYHRP-VGSWGCGISA-N 417.358 4.805 0 1 HJAF CC1(C)Cc2sc(N)nc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375143 RESSJDWTYZNNKI-MBSDFSHPSA-N 424.497 4.797 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCCN3CCC[C@@H](C)C3)c1)O2 587396269 RHRSBLZBBNIWOU-OSPHWJPCSA-N 408.542 4.785 0 1 HJAF COc1ccc(C2=COc3cc(O)ccc3[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587410599 YQKYLEGSWGGRIY-RUZDIDTESA-N 415.445 4.586 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4OC)Oc4ccccc41)[C@@H](C2)C3=O 587449235 APHHFXZNCGBULM-SIBVEZHUSA-N 412.441 4.780 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4ccccn4)c1)[C@@H](C2)C3=O 587452841 PUMFXPXOMYBQNI-UUOWRZLLSA-N 419.502 4.880 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC(C)=O)ccc1Br)CC2=O 587456321 NJGTTYBLJIPZEM-LJQANCHMSA-N 419.271 4.739 0 1 HJAF CCCN1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587513344 JFYMJEFQQITDBE-RUZDIDTESA-N 404.554 4.804 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl 587692832 LUTBZGPEPGHAGV-LZVRBXCZSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1 587704740 JTISCDFCJUHCCF-XXFAHNHDSA-N 420.200 4.746 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720835 VBLPEQJXFJIRKM-XLFHBGCDSA-N 416.237 4.822 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794000 FZTTVKPUBBCIAK-PJFSTRORSA-N 400.332 4.563 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(F)ccc2n1 587853767 BGJNZYJQLXZKKW-UHFFFAOYSA-N 419.243 4.731 0 1 HJAF CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)CC=CC(=O)O)[C@H]21 2356397265 LLLDEXYDMUTZRN-FEFNVIAISA-N 404.547 4.521 0 1 HJAF CC(=CC[C@H](O)[C@H](C)C1=CC[C@]2(C)C[C@H]3[C@H](CC[C@H]3C)C(C(=O)O)=CC[C@H]12)C(=O)O 2356529482 IHZCQHAUROKVEX-CRGNZLPPSA-N 416.558 4.824 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215159 CBMOGDIWACELMN-CZEIZJIKSA-N 418.578 4.622 0 1 HJAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1ccc(O)cc1 13446438 RHCHSSDSMMMVSJ-FQEVSTJZSA-N 407.341 4.537 0 1 HJAF COc1ccc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC 14641921 FUFHSLKNBJRCDG-WJWAULOUSA-N 402.487 4.814 0 1 HJAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)S(=O)(=O)N2c2ccccc2)cc1 26739835 NBFGJKZQMXZEEW-DNQXCXABSA-N 407.535 4.978 0 1 HJAF Fc1ccc2c(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)[nH]nc2c1 36176924 LRYKPJMJKRDDIX-UHFFFAOYSA-N 418.520 4.700 0 1 HJAF Cc1cccc(C)c1N1CCN(C2CCC(NC(=O)/C=C/c3ccccc3)CC2)CC1 45193948 MJBSQEIXVHICPU-LFIBNONCSA-N 417.597 4.566 0 1 HJAF COc1cc([C@@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)cc(OC)c1OC 66097955 OULZIFHZRWSSFJ-NRFANRHFSA-N 404.466 4.563 0 1 HJAF COc1cc(-c2onc3c2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 66104508 DMWMYUNGVIOIAI-UHFFFAOYSA-N 418.472 4.936 0 1 HJAF C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCC1=CCCCC1 82082905 YODQTTGAWVHAEL-AWEZNQCLSA-N 417.962 4.589 0 1 HJAF CC(C)Oc1ccc(-c2nc(-c3cccc4c(CC(=O)O)c[nH]c34)no2)cc1Cl 84617336 HPWRAENLHHTNRS-UHFFFAOYSA-N 411.845 4.953 0 1 HJAF Cc1ccccc1C(=O)N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 95579513 PBBXMRSAGQVCLG-JOCHJYFZSA-N 400.522 4.545 0 1 HJAF C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ncccn3)nc2c1 95603659 JEMRJBHXGAQYMP-OAHLLOKOSA-N 410.433 4.844 0 1 HJAF CN(CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C 143332650 OAPFLAAKJKGOTJ-OAQYLSRUSA-N 423.431 4.711 0 1 HJAF CC(C)(C)[C@H](NC(=O)c1cc(OCC(F)(F)F)c(Cl)cn1)c1nccs1 149227150 BFGOIWIWBOJNLX-GFCCVEGCSA-N 407.845 4.650 0 1 HJAF COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1 166095899 KAOXBGBUARKCMM-CYBMUJFWSA-N 403.417 4.540 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@@H](O)c3ccccc3C)CC2)cc1 169326423 YJEZGYWKSYGGGS-SVBPBHIXSA-N 416.565 4.596 0 1 HJAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@H]3C)nn1C 169702160 NXXCXDMGBYEFMS-GFCCVEGCSA-N 419.920 4.643 0 1 HJAF N#Cc1cc(Oc2ccc(-n3nc(C(N)=O)c4ccccc43)cc2)ccc1C(F)(F)F 199098143 KYYGLPGOSWVHNJ-UHFFFAOYSA-N 422.366 4.807 0 1 HJAF O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCC1CCN(Cc2ccc(O)cc2)CC1 206922809 JKALXQHZHYMOQK-YWEYNIOJSA-N 419.352 4.741 0 1 HJAF CSc1ncc2c(n1)CCN(c1cccc(C(=O)Nc3cccc(C(C)C)c3)n1)C2 215909329 GAUIONVHTSPHFY-UHFFFAOYSA-N 419.554 4.532 0 1 HJAF Cc1cc(Cl)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586945574 JESBCRDELPYYLC-UHFFFAOYSA-N 423.972 4.793 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587012641 DNEXQBCQNQEUKO-UHFFFAOYSA-N 405.243 5.002 0 1 HJAF Clc1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040359 HJNNMWGMDBOKBP-GJZGRUSLSA-N 408.752 4.925 0 1 HJAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br 587127354 XMZVCZVIPDVYDI-ISVAXAHUSA-N 414.229 4.805 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(C)cc1I)O2 587386983 NMGKMBRMARTCLO-KRWDZBQOSA-N 407.251 4.505 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCCN3C(=O)OC(C)(C)C)CC1)O2 587399616 KZLWYKGJIUQNJJ-UHFFFAOYSA-N 400.519 4.625 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1Br)[C@@H](C2)C3=O 587411032 BCEIQSKNBGIYNB-YVEFUNNKSA-N 424.088 4.709 0 1 HJAF COC1=Cc2ccccc2[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccsc21 587449599 BSZYBVKUXOAHLN-HOYKHHGWSA-N 402.471 4.906 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Br)cccc31)CC2=O 587458169 HDQBWWKNGLOPNT-FQEVSTJZSA-N 403.272 4.750 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)S1 587857954 WJFBVQJFKGCSFL-XXFAHNHDSA-N 423.355 4.652 0 1 HJAF CC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1C[C@@H]1Cc2cc(F)ccc2C1=O 1857537492 SNFJJJRFTPKSIV-LJQANCHMSA-N 408.880 4.615 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCN([C@H](C)c3ccc(C(F)(F)F)cc3)CC2)c1 1857750609 IVAGJAACCFJFLQ-MRXNPFEDSA-N 422.520 4.793 0 1 HJAF O=C1C(=O)N(c2ccccc2F)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1911584371 KMPIZEMWUYBAIN-UHFFFAOYSA-N 418.468 4.793 0 1 HJAF CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N(C)C 771567 IERPPHIWEWLMCE-UKILVPOCSA-N 414.505 4.932 0 1 HJAF CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 776713 INAUZZXCHJZVCP-QHCPKHFHSA-N 420.553 4.964 0 1 HJAF COc1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c(OC)c1 13441283 PAMJGKFHXJWILY-UHFFFAOYSA-N 421.541 4.504 0 1 HJAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1 27086433 LNFADQPVICPKTH-UHFFFAOYSA-N 400.809 4.819 0 1 HJAF CCNC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28459865 NTKXGSBVDDLAPI-UHFFFAOYSA-N 409.298 4.997 0 1 HJAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(C3CCCC3)CC2)cc1 28761789 VOPCWAQEKGAZOJ-SANMLTNESA-N 419.613 4.818 0 1 HJAF O=C(O)CCC[C@H](O)[C@@H](/C=C\CCc1ccccc1)Sc1ccc(C(=O)O)cc1 29320803 ZDMDUDMRTMWMGF-WLXWOJTHSA-N 414.523 4.650 0 1 HJAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)cc3[C@H](Cc3ccc(O)cc3)N1CC2 38991075 DWZKGBIFWZNNTA-ZEQRLZLVSA-N 417.505 4.554 0 1 HJAF biogenic O=C(c1csc2ccccc12)N(CCc1ccccn1)C1CCC2(CC1)OCCO2 40394699 KGXIRYLCSRTUEO-UHFFFAOYSA-N 422.550 4.667 0 1 HJAF O=C(NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21)Nc1ccc(F)cc1 45259692 BJJLMCGAKMRHBT-INIZCTEOSA-N 417.746 4.621 0 1 HJAF COc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccc(O)cc2)cc1 72175040 XHADLJNBNHSVPJ-JOCHJYFZSA-N 403.507 4.949 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C 82217133 LEAXMMRZYWLUQL-IIZJSDIPSA-N 422.548 4.683 0 1 HJAF CC1(C)NC(=O)Cn2c1nc(-c1ccc(F)cc1)c2Nc1ccc(F)c(Cl)c1 84728296 GJFPMCIOZQKVHI-UHFFFAOYSA-N 402.832 4.590 0 1 HJAF CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C(C)=O 115250477 LYPUEUYDSSRLQW-UHFFFAOYSA-N 409.479 4.738 0 1 HJAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CCCCO2 118912465 YYOCUWYULCUMBF-QAUVWKTJSA-N 416.602 4.727 0 1 HJAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(F)c(-c2ccccn2)c1 167599954 ITIAEHHNBTWJML-HXUWFJFHSA-N 421.472 4.554 0 1 HJAF CCCCCN1C(=O)COC[C@@H]1c1cncc(-c2ccc(OC(F)(F)F)cc2)c1 205401216 MWPVORRSNNZNTI-LJQANCHMSA-N 408.420 4.737 0 1 HJAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCc2nc(Br)sc21 220876051 OGVVQLVMSPJXTP-SNVBAGLBSA-N 420.159 4.949 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4[C@H](C)CCC[C@H]4[C@@H]3C2=O)cc1 254216512 JQULSAYEPOTISD-OGGYLOKCSA-N 414.505 4.983 0 1 HJAF CC(C)COc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586903836 QJJHMRZSBOWUBH-RDTXWAMCSA-N 401.304 4.929 0 1 HJAF CSc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587003832 OKCRUZROXIMSBE-SNVBAGLBSA-N 403.301 4.683 0 1 HJAF COC(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2n1 587015919 YKDRFSMPRYOACT-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(Br)c2[nH]1 587043872 WLPIUXLNLHPDCP-CYBMUJFWSA-N 408.708 4.634 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073818 LTMLLOJMZNQUGR-UHFFFAOYSA-N 417.962 4.765 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353282 MTNOJCCCFFVKIA-LADGPHEKSA-N 424.424 4.640 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CC=CC[C@@H]1C(=O)O)CC2=O 587487590 GLNQEQMZPLTKRN-WVFSIPRWSA-N 406.478 4.872 0 1 HJAF O=C1C[C@@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)Oc2c1ccc1c2CCCC1 587530799 DWUHTWSHFSAEBB-QFIPXVFZSA-N 424.474 4.779 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)nc2sccn12 587620071 WUIDQHHHRTUIPR-IERDGZPVSA-N 404.447 4.682 0 1 HJAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622831 UZQCNDSCBIFZJA-UHFFFAOYSA-N 420.213 4.984 0 1 HJAF CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587699624 LDAZUWIQBSFOOX-WLRWDXFRSA-N 410.714 4.999 0 1 HJAF CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587701422 BTYNMCNGOYPFRK-XCDJXHADSA-N 416.640 4.997 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCCCC2=O)(C(F)(F)F)N1 587708238 ABNRZJUVWAZBQM-RBIVETJNSA-N 408.233 4.639 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1 587721242 WIOGYYLGQQGALU-HUTHGQBESA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 587732307 JNXCBAVVEGRTTI-DGIBIBHMSA-N 404.258 4.741 0 1 HJAF Cc1cc(=O)oc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc12 587837676 JUCYGLFMDQFCEB-YBTHPKLGSA-N 402.263 4.627 0 1 HJAF COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)c(Br)cnc2[nH]1 587935254 RHLNWCICFHVZGU-UHFFFAOYSA-N 404.695 4.955 0 1 HJAF COC(=O)c1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c(C)c1 962648833 YMOBIHKKSPYMBU-ZEQKJWHPSA-N 412.533 4.618 0 1 HJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(I)c(F)c1 963109460 UTGRGQANBZBPHD-KSSFIOAISA-N 411.233 4.679 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(ccc(OCCCF)c3Cl)C2)cc1 1772592679 NMVTTWUYVLYTGE-INIZCTEOSA-N 418.940 4.834 0 1 HJAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 2356524809 OZZAYJQNMKMUSD-FKHIRMOZSA-N 416.558 4.931 0 1 HJAF CCC[C@H]1[C@@H](OC(=O)NCc2ccc(C)o2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713265 JOERPJJJRAEULP-QTDGGUCWSA-N 402.535 4.554 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 4043172 DLYTVNRGPRGOJH-NOZRDPDXSA-N 415.537 4.914 0 1 HJAF O[C@@H](CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12 13491147 GWCXMTRMKIIFDL-QFIPXVFZSA-N 409.530 4.767 0 1 HJAF CCNCCC[C@@]1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)N(C)C 13976311 GNWDDBALZWOJBH-DEOSSOPVSA-N 413.512 4.631 0 1 HJAF CCn1c(=O)n(CC)c2cc(-c3c[nH]nc3-c3cccc(C(F)(F)F)c3)ccc21 14958541 KSPOJZNAWMACAN-UHFFFAOYSA-N 400.404 4.919 0 1 HJAF COc1ccc(NC(=O)[C@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 26948860 JUNSASVZVKBFQH-ZFTPDRLMSA-N 422.569 4.547 0 1 HJAF CCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1 28368896 VKMOVDDAADZPPM-UHFFFAOYSA-N 417.509 4.964 0 1 HJAF O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc(Nc2ccncn2)cc1 28952671 QIOKNXYOGAVIRC-UHFFFAOYSA-N 409.421 4.874 0 1 HJAF CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCCC1)c1ccccc1 28953438 BXOAWISKNWMSMA-DEOSSOPVSA-N 411.496 4.544 0 1 HJAF O[C@H]1CCc2cc(F)cc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127329 JWRFJKHYBQZYIN-INIZCTEOSA-N 403.379 4.895 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@@H]3CC[C@@]21C 34801423 LGKOHXBHQYUHPI-KRLYBMSPSA-N 404.595 4.554 0 1 HJAF CN1C[C@@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@H]2CCCC[C@@H]21 40394077 GFRMFVSDSQREBC-BXWFABGCSA-N 408.361 4.596 0 1 HJAF in-vitro Cn1c(CN2C[C@@H]3C(COc4cccc(-c5ccccc5)c4)[C@@H]3C2)nc2ccccc21 40402009 DJHVINVBCJUYRT-VSGJHWFKSA-N 409.533 4.997 0 1 HJAF CN(C(=O)Cc1c(-c2nccs2)nc2c(Cl)cc(Cl)cn12)c1ccccc1 40413165 XFMGKUKOHHVIPM-UHFFFAOYSA-N 417.321 4.970 0 1 HJAF COC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 45352010 OSBRSVNOFXCOHR-KSNOWIBYSA-N 416.558 4.986 0 1 HJAF CN(C)C(=O)Cn1c(-c2ccccn2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45390501 WKYIXBPCGFZISY-UHFFFAOYSA-N 405.498 4.537 0 1 HJAF COc1ccc2c(c1)/C(=C\c1c(-c3ccc(Cl)cc3)nc3sc(C)nn13)C(=O)N2 84730088 PNLZWVPJRYOSAN-MHWRWJLKSA-N 422.897 4.921 0 1 HJAF C1=C(c2c[nH]c3ccccc23)C[C@H]2CC[C@@H]1N2CCOc1cccc2c1OCCO2 95607639 DJNWXEYVXXAHII-RBUKOAKNSA-N 402.494 4.638 0 1 HJAF C[C@@H](Nc1c(Nc2ccnc(Nc3cccc4ccccc34)n2)c(=O)c1=O)C(C)(C)C 101595883 AFAFROPKFQYWSF-CQSZACIVSA-N 415.497 4.560 0 1 HJAF CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C(C)=O)n(C)n1 103184175 UNONTMKDBFWLTE-UHFFFAOYSA-N 411.889 4.617 0 1 HJAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@@]2(N=C(N)N(C)C2=O)C2(CCC(F)(F)CC2)C3)c1 201257695 WJYXCYFNXFFRGV-DEOSSOPVSA-N 420.463 4.638 0 1 HJAF COc1cc(F)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 207723454 BHXALEJPYBRMAD-UHFFFAOYSA-N 406.461 4.761 0 1 HJAF Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]ncc1Cl 218965557 TUJZOCSOGONKOC-UHFFFAOYSA-N 404.901 4.930 0 1 HJAF Cc1ccc(Cn2nc(C(=O)NN3CCCCCC3)c3c2-c2c(C)csc2C3)cc1 299831721 QUHFDYOROMTIMX-UHFFFAOYSA-N 420.582 4.702 0 1 HJAF CCS(=O)(=O)c1ccccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586921975 JEICETMTDGPRHP-UHFFFAOYSA-N 423.332 4.573 0 1 HJAF CCc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1 586955223 NAIAWBNDZPFSEL-UHFFFAOYSA-N 411.571 4.817 0 1 HJAF COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587113576 QABXGZKHPKOJRG-GOSISDBHSA-N 411.811 4.643 0 1 HJAF Fc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587119955 ZXJSSDQCWOOVMJ-UHFFFAOYSA-N 403.177 4.606 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587132067 IMVVPQFLGMPKHT-IHWYPQMZSA-N 402.706 4.869 0 1 HJAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347992 CHWQADVNROWLFU-YKSBVNFPSA-N 422.408 4.722 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCNC(=O)OC(C)(C)C)(c1ccccc1)O2 587388095 WCXHWSYJLDTBDZ-DEOSSOPVSA-N 410.514 4.743 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)cc1Cl)CC2=O 587461552 KWPZTDFQARGQBL-QHCPKHFHSA-N 415.917 4.715 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@H](C(=O)O)c1ccccc1)CC2=O 587470580 LMBWRBSAKYHLIT-YADHBBJMSA-N 405.450 4.527 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 587519042 UJMRRGRQDQDTLR-SZUKKWSHSA-N 411.542 4.936 0 1 HJAF C[C@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554579 IUCBFFGSEOWDQH-WIYYLYMNSA-N 412.344 4.591 0 1 HJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 587614558 CMFHQSKIFGWZMN-RDPSFJRHSA-N 404.418 4.516 0 1 HJAF Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1C 587652439 RXLMPTPSDNAANE-UHFFFAOYSA-N 408.841 4.527 0 1 HJAF Cc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1C(F)(F)F 587713791 NXVAGTCVINQEOU-QTTZVWFDSA-N 409.246 4.996 0 1 HJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1CCCO1 587751247 LSAXEQAQDAQZID-LSWYUMSHSA-N 421.354 4.809 0 1 HJAF CCn1ccnc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587751616 AARQREONYWGSMB-LHSJRXKWSA-N 414.322 4.631 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(CC)cc1Cl 587856772 YRHKZONSGCCYKT-UHFFFAOYSA-N 413.692 4.814 0 1 HJAF COc1cccc([C@]2(c3ncccc3C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962623779 KVKREEGWXYBSJG-WXTAPIANSA-N 418.537 4.584 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@](c3ccsc3)(c3ccc(Cl)c(F)c3)c3cccc1c32 963026955 KXRHUPDOOBCJAY-DMZKTXOQSA-N 412.917 4.886 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]31C(=O)c2ccccc2O[C@H]1c1ccccc1 963071100 VYJSRAOFWCCFOU-RRPNLBNLSA-N 422.484 4.601 0 1 HJAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ncccn2)CC1 1207010135 JPMMRXYLLMWMCC-UHFFFAOYSA-N 402.929 4.722 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(O[C@H](C)CC)c3)C2)cc1 1772583578 UQWBCRYRZIXXCQ-YDIMBITNSA-N 410.558 4.761 0 1 HJAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]3F)[nH]c2c1 2356300831 YIEPTGZDHRUYHX-QFBILLFUSA-N 407.411 4.629 0 1 HJAF C[C@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1ccc(Cl)cc1 768957 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CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccs4)cc3)cc2S1(=O)=O 95601572 HXWQTAKCJJMCFM-AWEZNQCLSA-N 419.549 4.511 0 1 HJAF CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1OC 102411544 VFDDAIZJNOTMLC-CKVDEZNCSA-N 421.493 4.674 0 1 HJAF Cc1nc(NS(=O)(=O)c2sc3ccc(C(C)C)cc3c2C)sc1C(=O)O 114604777 ZQESQZGRGLZODB-UHFFFAOYSA-N 410.542 4.597 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2cc3ccccc3[nH]2)NC(=O)N1 206458778 ZQTBNICPJLZTCQ-OAQYLSRUSA-N 411.490 4.948 0 1 HJAF CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1 219007883 WWOFVMGCECLNNT-UHFFFAOYSA-N 410.481 4.631 0 1 HJAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586912983 PPNMMTBQFHOGFJ-VQIMIIECSA-N 419.934 4.690 0 1 HJAF Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F 586962223 VZVGTJSHZTYDEB-NQERJWCQSA-N 413.518 4.705 0 1 HJAF Fc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c(F)c1F 587001336 NMIUKUFETTZJQL-UPHRSURJSA-N 411.177 4.684 0 1 HJAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(C2CC2)n1 587230279 RIJSEUCGCNCPRI-UHFFFAOYSA-N 417.872 4.715 0 1 HJAF COC(=O)Nc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cn1 587244453 FSMJXKAGNRSHOO-UHFFFAOYSA-N 419.279 4.601 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cn2cncn2)[C@@H]1c1ccc(F)cc1 587345126 YLIQQCXDBYBIFL-BSDZUQITSA-N 421.472 4.501 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCN(Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587347914 VTWJXXJVGXVMBC-AHWVRZQESA-N 417.480 4.925 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(SC)cc1)CC2=O 587490481 GQRLKVVVHOSUDX-JOCHJYFZSA-N 400.496 4.792 0 1 HJAF O=C1C[C@H]([C@H]2CCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517470 NWQBKSTVVSSPLC-FYYLOGMGSA-N 405.494 4.700 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(N)c2)N1 587682545 ZQVKLQKIUKQHIB-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c3ncccc23)N1 587779438 SISBGMGEQUXBDL-YBTHPKLGSA-N 401.279 4.640 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587790582 IOXTZRSWJAFBGQ-QHJCOXKOSA-N 411.315 4.639 0 1 HJAF COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(O)cc2)c1 653725574 NZMFMNOEQNPRID-GOTSBHOMSA-N 420.461 4.539 0 1 HJAF COc1ccc(F)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1OC 962643282 QIPWKPBARYPKOO-CPJSRVTESA-N 418.512 4.679 0 1 HJAF FC(F)(F)c1cccc2c1[C@@H](c1ccc3c(Cl)n[nH]c3c1)NCC21CCOCC1 962955313 KWJBCWFBQCMFLH-GOSISDBHSA-N 421.850 4.976 0 1 HJAF CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2cccnc2)cc1 1772617071 VFEPKKUQUFZCPH-OCEACIFDSA-N 402.538 4.754 0 1 HJAF O=C(O)C1CC(Oc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)C1 1857566534 JAJYRFNMRYGCHL-UHFFFAOYSA-N 420.856 4.582 0 1 HJAF CC1=C[C@H](CN(C)CCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356302169 NLJGHDRVMGNAPD-ZRBLBEILSA-N 410.606 4.627 0 1 HJAF C[C@@H]([C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H](N(C)C)[C@@H]4C)N(C)C 2356450816 KDKFZGZVPVIBCE-OSUMHARHSA-N 414.678 4.973 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356545975 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422.506 4.556 0 1 HJAF COCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1cccc(C(F)(F)F)c1 28954345 WOOLJWGVJCDMEU-QJOMJCCJSA-N 400.466 4.562 0 1 HJAF N=C(N)c1ccc(OCc2ccc3cc(COc4ccc(C(=N)N)cc4)ccc3c2)cc1 43025211 NXZNBJGSGUHOSW-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF CCOc1cccc(-c2nc(CN(CC)[C@H]3CCN(Cc4ccccc4)C3)co2)c1 72103397 LBYACPXQHIOUSJ-QHCPKHFHSA-N 405.542 4.837 0 1 HJAF Clc1cccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)c1 82181055 ZEEZXYYGENTJOY-LJQANCHMSA-N 419.916 4.938 0 1 HJAF CCSc1c(Nc2c(C)cc(C)cc2C)nc(C)nc1N(CCOC)CCOC 169309995 UQIORQPTSKEMDM-UHFFFAOYSA-N 418.607 4.665 0 1 HJAF COc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1 204527507 FDORYMUQVHPYCD-UHFFFAOYSA-N 404.422 4.651 0 1 HJAF CS(=O)(=O)Nc1noc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc12 218160364 JJTJGELITQDZBG-UHFFFAOYSA-N 421.689 4.739 0 1 HJAF CSc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CC(=O)O)c2)cc1 299861681 IPEYXJWSWJYBLB-UHFFFAOYSA-N 420.490 4.540 0 1 HJAF O=c1cccc(-c2nc3c(F)cc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl 587064025 JJRVJYFOKWDBKS-UHFFFAOYSA-N 418.255 4.917 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(F)c1 587144966 PBOPIDDGTMEANI-UHFFFAOYSA-N 417.440 4.744 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccccc2F)=COc2cc(O)ccc21 587386166 SSUXUUWPRFDWJL-DEOSSOPVSA-N 419.408 4.595 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O 587428054 LQWNTGQZBLJZGA-CPJSRVTESA-N 418.420 4.862 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439634 VOTFSWLBFKHYMN-YLNUKYHNSA-N 415.530 4.771 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN3CCCCC3)cc1)CC2=O 587478079 ZOUQGBMQQUKLBQ-XMMPIXPASA-N 409.526 4.916 0 1 HJAF C[C@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551687 IKVUVZTWRWRIGK-OXQOHEQNSA-N 402.233 4.971 0 1 HJAF C[C@@H]1C[C@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581703 JEEBSECMDOJJAH-BYPCIHSKSA-N 415.489 4.777 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1c1ccccc1 587584815 ASBGOIUCUPVKOV-DRWWIJIRSA-N 413.473 4.924 0 1 HJAF O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637510 AVGHINPBJXMEMA-UHFFFAOYSA-N 412.161 4.878 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(C(F)(F)F)N1 587709051 HMRHSABWTNVGNM-XXFAHNHDSA-N 404.201 4.634 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)nc2F)N1 587739311 VETPXLOEAYATBX-YUNKPMOVSA-N 422.317 4.520 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC[C@@H]2CCCO2)N1 587829863 COZBZGWEHWADMU-CGSMKXTHSA-N 420.322 4.770 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 587832534 ZCXCIIZYHQGCNP-GTJPDFRWSA-N 420.322 4.748 0 1 HJAF CCOP(=O)(C[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC 587850614 QTZCFLFINFAPEK-SJKOYZFVSA-N 422.275 4.994 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccs3)nc2)N1 587854372 TVAHGHQLZRNLAY-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF N=c1sc(-c2cccs2)nn1CC(=O)N1c2ccccc2Sc2ccccc21 653793163 GVQQHZADXOYYIU-UHFFFAOYSA-N 422.560 4.982 0 1 HJAF O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(c2ccn(-c3ccccc3)n2)CC1 1772612041 JEZZQVWVDVULKU-UHFFFAOYSA-N 421.341 4.682 0 1 HJAF CC(C)CNc1nccc(=N[C@@H]2CCCc3c2[nH]c2ccc(OC(F)(F)F)cc32)[nH]1 1857602325 YZBLQJFNLDXQSX-QGZVFWFLSA-N 419.451 4.836 0 1 HJAF COC(=O)CC(=O)OCC=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 2356494383 BSFKELIWSIJBDC-CVKIWWORSA-N 408.579 4.813 0 1 HJAF C[C@H](O)C[C@H](O)C[C@@H]1CCCCCCCCCCCCCC[C@H](O)C=CC(=O)O1 2356866497 WFHNHKIPMIIXND-MLCQCVOFSA-N 412.611 4.812 0 1 HJAF CCN(C(=O)Cc1c(C(=O)O)n(CC)c2ccccc12)c1cccc(C(F)(F)F)c1 13118832 KWZGMTPYTMCZEW-UHFFFAOYSA-N 418.415 4.974 0 3 HJAF Cn1c(=O)c2cc(NC(=S)NC3CCCCC3)ccc2n1C/C=C/c1ccccc1 61926899 LLIKZULTWSYLEN-DHZHZOJOSA-N 420.582 4.673 0 3 HJAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCCCc3ccccc3)C1)CC2 22930471 AFBXEXUTQNLGKW-RUZDIDTESA-N 422.613 4.939 0 1 HJAF CCCN(CCC)[C@@H]1CCc2c(ccc([C@@H](O)Cc3ccc(OC)cc3)c2OC)C1 27332538 XOWASPOXQFROJP-BWKNWUBXSA-N 411.586 4.959 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 29037206 SSFZJBIZFATNHN-UHFFFAOYSA-N 402.479 4.863 0 1 HJAF 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COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(C)cn1 587517916 XBVGVDYKOMAHIE-XMMPIXPASA-N 402.494 4.834 0 1 HJAF C[C@]1(C(F)(F)[C@@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550933 WFQULNQUERIPOI-MAZHCROVSA-N 406.278 4.648 0 1 HJAF C[C@H](OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587591141 BHPVLSWQEZRWLE-ZYBREQRGSA-N 418.445 4.807 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(F)c3)c2)N1 587727608 BWLLHABPGKENDV-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(C2CCNCC2)N1 587728052 CPFHCCOWJANBKD-ASSNKEHSSA-N 421.329 4.505 0 1 HJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835246 ONAZOXOWPYXDCZ-ASSNKEHSSA-N 420.322 4.937 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3cnc(Cl)nc23)N1 587854506 CGDVKIDOBLFXKB-KWKYVRJSSA-N 412.715 4.870 0 1 HJAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](CCOc2ccc(Cl)c(Cl)c2)N1 963233556 OWXOHWVDLQTQOG-WOJBJXKFSA-N 417.292 4.651 0 1 HJAF 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ANSOPDAAFLKBAI-GMAHTHKFSA-N 421.493 4.791 0 1 HJAF CN(CCCN(C)Cc1ccccc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 40933999 VACSLRDYGFIFFO-UHFFFAOYSA-N 417.553 4.871 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H]1CO 95877355 AOGVVOBEEJESFH-TUSQITKMSA-N 416.496 4.507 0 1 HJAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cccc(F)c1F 96170150 XMBDOUSYRDHMCC-UHFFFAOYSA-N 424.834 4.852 0 1 HJAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3cccc(Cl)c3)n2)cc1 96939917 WGHXKWDXSOTTGM-UHFFFAOYSA-N 400.887 4.676 0 1 HJAF c1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(-c4ccccc4)on3)cc2)cc1 100108667 FXYORCVPGTUFEQ-ZUQZZMKOSA-N 407.517 4.948 0 1 HJAF FC(F)(F)c1ccnc(Nc2cc(CN3CCOCC3)cc(-c3ccccc3)c2)n1 145400913 SIYYFDADGGUFMK-UHFFFAOYSA-N 414.431 4.738 0 1 HJAF CC(=O)NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 150026691 MAMLPUSGTQONJN-PELUFGRGSA-N 417.475 4.660 0 1 HJAF N=C(N)c1ccc(COc2ccc3ccc(OCc4ccc(C(=N)N)cc4)cc3c2)cc1 169329145 ZCTWWVGCNLVOAQ-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(OC3CCCC3)ccc21 201629946 YSSHOFAEEHPSFL-UHFFFAOYSA-N 400.887 4.991 0 1 HJAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@@H]3CNCCO3)cc12 220164300 GGBKATFFMXOZIU-FQEVSTJZSA-N 419.916 4.551 0 1 HJAF OC1=NC[C@@H]2[C@@H](C=NN2Cc2ccccc2)[C@H](c2ccc(Br)cc2)S1 253783237 XJVLXUUXKGHKOC-KURKYZTESA-N 416.344 4.637 0 1 HJAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586941184 QKUWWKYDTYNAKB-BUHFOSPRSA-N 419.506 4.754 0 1 HJAF Brc1cnc(NCc2ccccc2)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587000770 QIRKBQFOSMDOOT-UHFFFAOYSA-N 419.286 4.876 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1OC 587002572 BJSQQOPKDYCKIN-UHFFFAOYSA-N 415.243 4.842 0 1 HJAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 587130791 RGLLSEUNLXNMNZ-UHFFFAOYSA-N 411.202 4.771 0 1 HJAF CC(C)Oc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587156456 NNSCRKLWBCBQON-CWTRNNRKSA-N 404.283 4.593 0 1 HJAF NCc1cccc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1 587246735 VBGURCIUCJQWGF-UHFFFAOYSA-N 410.399 4.960 0 1 HJAF CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCC1 587346656 JXSSIINWFAXFIZ-NZQKXSOJSA-N 412.457 4.772 0 1 HJAF COc1cccc(-c2cc(CC(=O)Nc3nccc(C)n3)nc3c2oc2ccccc23)c1 587363149 QNBSKNDAOMFITC-UHFFFAOYSA-N 424.460 4.936 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587376226 QSFQKOWJOQGIFY-FQEVSTJZSA-N 408.281 4.698 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)CC3CCCCC3)cc1)O2 587408437 GMCGCSIIQSRIDB-JOCHJYFZSA-N 413.539 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(CCC(=O)OC)n3ccccc13)CC2=O 587488602 QPMWJYNPZFRICV-QFIPXVFZSA-N 421.493 4.718 0 1 HJAF O=C1C[C@@H](c2cc(Br)c3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587495844 GJFQNBKPAAYVBN-SFHVURJKSA-N 415.283 4.806 0 1 HJAF CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496247 AKFBVIGHZJTKFF-NVXWUHKLSA-N 413.436 4.745 0 1 HJAF COC(=O)c1cc2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2n1C 587499678 MEXUXDOKVRADTA-FQEVSTJZSA-N 424.884 4.599 0 1 HJAF O=C1C[C@H](C2(c3cccc(Br)c3)COC2)Oc2c1ccc1c2CCCC1 587507045 ZZCXMXYYFFTBTK-HXUWFJFHSA-N 413.311 4.630 0 1 HJAF Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21 587552342 QLEKKRLNLMNMNZ-CVDCTZTESA-N 420.852 4.809 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cnccn1 587585486 DISXXOOUSUJSRZ-XUZZJYLKSA-N 412.401 4.677 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Br)c2)N1 587676252 DLNMLDWYFXZASV-VPTHRUTESA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 587710255 QXUXZERFCGTFCC-XXFAHNHDSA-N 416.212 4.957 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1 587722891 UBDZNJFMFYDGLG-ZWBDZOEQSA-N 420.175 4.581 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587763230 XYGKBYIDRUKKRQ-DMPWYTOCSA-N 417.366 4.860 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cccnc12 587778887 OPXQUOASTPEOOB-GTJPDFRWSA-N 411.274 4.915 0 1 HJAF COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587830754 FPFQZYCOGBTBMT-XUSGNXJCSA-N 420.322 4.936 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835253 ONNHZBUZDMCCAP-FKIZINRSSA-N 406.295 4.547 0 1 HJAF Cn1nc(C2CC2)c2c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc(C3CC3)nc21 587875929 OYZQEVZZTUQEDU-UHFFFAOYSA-N 415.428 4.520 0 1 HJAF COc1ccc(-c2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)s2)cc1 963233643 PGQZFCSZTVJKNR-OFNKIYASSA-N 416.502 4.660 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C(=O)c1ccc(C)c(C)c1)c1ccccc1 963631421 DIJXGTGXNAOHHF-WINIVTDRSA-N 415.533 4.981 0 1 HJAF Cc1cc(-c2nc3cc4c(C)nn(C)c4cc3n2[C@@H](C)c2ccccc2)cn(C)c1=O 1772630892 ZNNINGPJENPGNV-KRWDZBQOSA-N 411.509 4.515 0 1 HJAF CC=C(C)C(=O)O[C@@](C)(Cc1ccccc1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356322060 RLXPNRPEBROQKZ-DHLKQENFSA-N 404.462 4.607 0 1 HJAF COc1ccc(CNC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc1OC 61904199 BIHFCUUEBQILOD-UHFFFAOYSA-N 406.438 4.652 0 3 HJAF C[C@@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(F)cc1)c1ccccc1 61930083 AQHXYYSYWREFGP-KRWDZBQOSA-N 417.484 4.660 0 3 HJAF CC[C@@H](Cc1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)O 593452 NJBZIYUACQJAEQ-AWEZNQCLSA-N 409.404 4.549 0 1 HJAF Nc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1 596828 IHLXCIWXJLTTDK-UHFFFAOYSA-N 414.578 4.910 0 1 HJAF O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccc(Br)cc1 1626065 BGBVCWGCRPYZTI-UHFFFAOYSA-N 412.106 4.573 0 1 HJAF CC(=O)c1sc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)nc1C 4176892 WGTDAEASGSWPKR-UHFFFAOYSA-N 409.945 4.649 0 1 HJAF COc1cc2nc(-c3ccc4c(c3)[C@H](N3CCC3)CC4)cc(O)c2cc1-c1cnco1 12354288 RELARHZKKKIXGE-JOCHJYFZSA-N 413.477 4.964 0 1 HJAF Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1 13607932 JOPMKALSBFBJLF-LEWJYISDSA-N 420.340 4.588 0 1 HJAF CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1 14979909 QNJLPQOXOKUJNQ-UHFFFAOYSA-N 412.511 4.516 0 1 HJAF CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCCN1CCCC1)c1ccccc1 28953440 BXOAWISKNWMSMA-XMMPIXPASA-N 411.496 4.544 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)Nc1ccccc1F 58487038 NMPUFHPNLBRJGC-BNXJYMPYSA-N 410.533 4.678 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 58506574 OOFIJSZYCVFWEY-HXUWFJFHSA-N 410.395 4.916 0 1 HJAF COc1ccc2c(C3(c4c[nH]c5cc(OC)ccc45)C(=O)Nc4ccccc43)c[nH]c2c1 58575832 IKTLOLMZCPVWBC-UHFFFAOYSA-N 423.472 4.953 0 1 HJAF CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82180065 LNOCZPGQZXNOSQ-HXUWFJFHSA-N 407.562 4.954 0 1 HJAF CC(C)(C)OC(=O)N1CCc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC1 84727248 DOWBLLFZRQSUKL-UHFFFAOYSA-N 406.935 4.550 0 1 HJAF COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)ccc1OCC=C(C)C 85774834 WXYFFRZGPDZASV-ZSVMJGIMSA-N 424.493 4.844 0 1 HJAF biogenic,in-vitro O=C(N[C@@H](Cc1csc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1 96931555 KNILPWHAWIJUNA-FQEVSTJZSA-N 407.539 4.543 0 1 HJAF C/C(=C\C(=O)Nc1ccccc1C(=O)O)c1ccc(OC(F)F)c(OC(F)F)c1 103250077 SWTVJHYBYRFCHG-CSKARUKUSA-N 413.323 4.630 0 1 HJAF COc1ccc(-c2c(S(=O)(=O)c3cccc(C#N)c3)cnc3cc(F)ccc23)cc1 115924469 JJNANHCKEVEJNU-UHFFFAOYSA-N 418.449 4.754 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 148480951 XQZXACDUYYUJMP-LGYFHXCASA-N 413.646 4.627 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCNC5)nc32)CC1 261147446 OEJRGRXZSULSGO-JCNLHEQBSA-N 413.529 4.515 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)cc1N 586979840 WSEFEABLYGJRTA-UHFFFAOYSA-N 414.694 4.872 0 1 HJAF COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1C 587001314 NAZJMKMMTOFHFZ-ARJAWSKDSA-N 401.260 4.584 0 1 HJAF OCCc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017987 SIMBPTKLEHMQIZ-UHFFFAOYSA-N 420.357 4.636 0 1 HJAF Brc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029295 NCUFHSDADPELTN-UHFFFAOYSA-N 410.300 4.847 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc1-2 587073302 FRPFTHYPJJBZMC-LLVKDONJSA-N 416.234 4.967 0 1 HJAF COc1ccc(Br)c2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 587371750 MQFJDJDQJHRNSC-MRXNPFEDSA-N 401.260 4.536 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1nc3cccc(C)n3c1Br)CC2=O 587458501 JYIQGBPRKLPHCF-INIZCTEOSA-N 415.287 4.770 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)cc1Cl)CC2=O 587461549 KWPZTDFQARGQBL-HSZRJFAPSA-N 415.917 4.715 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C1)CC2=O 587490619 ZEEMFKVNRBLQCS-YWTKSJFSSA-N 415.530 4.716 0 1 HJAF C[C@@]1(CCCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587517089 GSHPMYXIGPVAAJ-AREMUKBSSA-N 417.505 4.756 0 1 HJAF CC[C@]1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580628 TTXRGAPRBMVDAH-FTBPSBKWSA-N 417.461 4.783 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586866 KTAANORFDFXVMZ-URXFXBBRSA-N 410.429 4.861 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596865 WUYXFDLEQUQTJD-ZTCOLXNVSA-N 410.466 4.626 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602547 IMXBXWZEDLAGSK-RCZVLFRGSA-N 418.445 4.813 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)nc2)N1 587713659 UBCKTFXRVVHYSS-FVMDXXJSSA-N 419.216 4.548 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1 587714200 OQOLAQCIMDHLDA-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3F)nc2)N1 587728606 SXNPTAJRUCNLFZ-JEOXALJRSA-N 416.269 4.808 0 1 HJAF COCC[C@]1(Cc2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587730783 KRIQJTHPOKIBAN-ZUOKHONESA-N 410.302 4.736 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587738522 AYPDVCVCLCROFJ-MQOOHRJVSA-N 419.338 4.775 0 1 HJAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1 587752712 FGAVTHNKQQJEER-MPBGBICISA-N 400.295 4.706 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797849 XTZVCFXMFBHMDL-QKKBWIMNSA-N 422.338 4.765 0 1 HJAF COc1cc(C)c(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805531 GHYJFGFJPGVEHH-ASSNKEHSSA-N 422.338 4.906 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC[C@@H]3CCCO3)c2)N1 587831135 GUZVAFZKKSPQMY-GQNMWPQZSA-N 420.322 4.770 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cn2ccccc2n1 587858875 CIEDFWCTVBMLGM-UHFFFAOYSA-N 415.280 4.786 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cl)c1Cl 587867116 SNVNULROMLLCPD-UHFFFAOYSA-N 416.186 4.968 0 1 HJAF COc1ccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2C)c(OC)c1 587930201 QWWCCOGHOQZHNK-UHFFFAOYSA-N 414.387 4.983 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)OC)cc1 1772604496 RKESULLGEWOCGT-KSFYIVLOSA-N 417.933 4.728 0 1 HJAF CC[C@H](C)C[C@@H](C(=O)NC=Cc1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 2356646282 WLLVVSXRRHFJGE-UUOWRZLLSA-N 405.542 4.897 0 1 HJAF CCOC(=O)c1c[nH]c2cc(Cl)c(OC)cc2/c1=N\c1cnc2ccccc2c1 4192459 DJIZIWYHZMVDEU-UHFFFAOYSA-N 407.857 4.787 0 1 HJAF COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OCCC1Cc2ccccc2C1 13438992 KEZXMUYHYHUAFY-GOSISDBHSA-N 416.525 4.772 0 1 HJAF Oc1ccccc1[C@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc21 28886024 MWVCQJIYVWMESH-LOSJGSFVSA-N 406.570 4.929 0 1 HJAF CC(C)c1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccccc2)[nH]c1=O 40896970 DTLAZDQUAMEQIV-UHFFFAOYSA-N 414.477 4.737 0 1 HJAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1oc1cc(O)c(C(=O)[C@H](C)CC)c(O)c12 49088906 FOVPRACMJLBLEN-ZJUUUORDSA-N 400.427 4.866 0 1 HJAF c1coc(CNCCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1 72125736 YMJRSVQUUUCMSB-UHFFFAOYSA-N 415.493 4.739 0 1 HJAF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc(F)cc2)oc1C 82164466 LQGVUZXPTLWZCA-UHFFFAOYSA-N 418.428 4.895 0 1 HJAF COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)nc1 100080592 JVWQIBDWBIFARN-QZTJIDSGSA-N 413.493 4.672 0 1 HJAF Nc1cccc(-c2cnc3[nH]c(-c4cc(NC(=O)N5CCCC5)ccc4F)nc3c2)c1 103271532 IMKQDPSDVHAIJB-UHFFFAOYSA-N 416.460 4.641 0 1 HJAF Cc1cc(C2CC2)c(-c2[nH]nc(C)c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 142744003 ORVCFYAIPPQRME-UHFFFAOYSA-N 410.521 4.991 0 1 HJAF N#Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F 218855601 ISYLAKGXTZRYDQ-UHFFFAOYSA-N 412.367 4.718 0 1 HJAF CO[C@H](C)c1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1 221143281 ATZNBIQCGKPLQY-CZGYAURHSA-N 418.509 4.707 0 1 HJAF COc1cc(C)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 221210730 KUCYRCUGXDBLAO-UHFFFAOYSA-N 418.371 4.755 0 1 HJAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)CC(C)C 238765597 MECYONIBORKUBT-UZWSGZPKSA-N 402.531 4.939 0 1 HJAF COCCO[C@H]1CC[C@H](Nc2cc(O)nc3c(C)cc(-c4cncs4)cc23)CC1 299852316 QGWDWRRZTVUVKB-QAQDUYKDSA-N 413.543 4.758 0 1 HJAF FC(F)(F)c1cnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 587016677 FPFUYHTUOYDGIY-UHFFFAOYSA-N 412.400 5.392 0 1 HJAF Clc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2nc1Cl 587018856 QHVXGTYUENGSNH-UHFFFAOYSA-N 419.293 4.750 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)nc(C)cc3[nH]2)c1 587048126 FFMFTFWFBKZKQL-UHFFFAOYSA-N 413.909 4.538 0 1 HJAF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 587056907 VYBDHRAIAMQIHK-SNVBAGLBSA-N 416.268 4.956 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc1-2 587062598 HHVKNJPZRVZOIV-UHFFFAOYSA-N 400.147 4.952 0 1 HJAF CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105117 PBEADSSQCGTCLL-UHFFFAOYSA-N 422.484 4.885 0 1 HJAF C[C@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344618 HKAINWGGHPLFOB-NFBKMPQASA-N 405.381 4.652 0 1 HJAF CC(=O)OC[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351957 VSOTXPRQNWLVCL-NOZRDPDXSA-N 420.436 4.657 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ncc[nH]1 587546148 IOGSKHZRJGZVRO-WMZHIEFXSA-N 418.836 4.674 0 1 HJAF Cc1cc(Cl)c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 587550490 BHNWDCCVDUUGEN-RXVVDRJESA-N 406.825 4.705 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1N1CCCC1 587556264 JBRUARQIILGMEN-ZJSXRUAMSA-N 405.425 4.834 0 1 HJAF CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590335 CAQIKMGANKRHPP-QPPBQGQZSA-N 406.434 4.677 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587610165 PIUWTRCXUWAQAL-RDPSFJRHSA-N 402.402 4.641 0 1 HJAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)OCC)c1C 587632093 FNDGWFRFVAASHY-UHFFFAOYSA-N 406.841 4.926 0 1 HJAF O=C(c1ccc(Cl)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656373 YNGPPXHJEGQSTO-UHFFFAOYSA-N 414.770 4.823 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccccc2[nH]c1=S 587658024 IFPPTJANCNGNBV-UHFFFAOYSA-N 418.428 4.937 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl 587692699 LLLPOTIFGMFDFF-XYZCENFISA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587696151 CUYMIKCHCZMPDT-WLRWDXFRSA-N 420.713 4.791 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(F)c2)N1 587734238 UNYXPZLOIJIVNB-JEOXALJRSA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12 587748170 VMOTUJAUFDLFHT-VERVWZFWSA-N 409.302 4.977 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795740 JDPLGYGMTKQRRE-JBZDTAIVSA-N 420.322 4.685 0 1 HJAF COc1ccccc1C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810371 WYLPVAIEZIWHSD-ODXCJYRJSA-N 406.295 4.619 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812126 IHSNPXUPSWBUCZ-GQNMWPQZSA-N 404.323 4.786 0 1 HJAF Cc1cc(OC(C)(C)C)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O 587935588 NZBRXKPXDLRIME-UHFFFAOYSA-N 404.308 4.832 0 1 HJAF COc1ccc2c(c1OC)[C@]1(c3ccccc3CCc3cc(O)ccc31)N(C)[C@@H](C)C2 962569083 MEJAYYKTGSOIIV-CBZJRKILSA-N 415.533 4.676 0 1 HJAF COc1ccc(Cl)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)n1 962632671 FWJSONMUMOSFOM-NTKDMRAZSA-N 405.929 4.580 0 1 HJAF Cc1sc2c(c1C)CCN[C@]21CCCc2ccc(I)cc21 963005165 DIVRYSICHJBGFW-SFHVURJKSA-N 409.336 4.695 0 1 HJAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@H](Cc2ccc(C(F)(F)F)cc2)CC1 1772630712 MRLAVLAOAGOTIA-GSXCWMCISA-N 405.420 4.790 0 1 HJAF CC[C@@H](C)C[C@H](C(=O)NC=Cc1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 2356646279 WLLVVSXRRHFJGE-HOYKHHGWSA-N 405.542 4.897 0 1 HJAF CCOC(=O)C1=C(CCc2ccccc2)NC(=O)N[C@@H]1c1ccc2ccccc2c1 13125925 SBSDXETULGXDPF-HSZRJFAPSA-N 400.478 4.644 0 3 HJAF C[C@]1(C(=O)NCCc2c[nH]c3ccccc23)CCN1Cc1csc2ccccc12 61907677 CCALBAAYMQXKPB-XMMPIXPASA-N 403.551 4.706 0 3 HJAF CCN(CC)CCC[C@H](C)Nc1ccnc2cc(I)ccc12 1700322 QCZZTGLRWDAZMG-AWEZNQCLSA-N 411.331 4.762 0 1 HJAF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 14824945 GGAGAVWBROLYIO-UHGNHMIBSA-N 401.547 4.702 0 1 HJAF COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)cc4)c23)C1 26718308 QCUDJDUUJFVRSC-DOTOQJQBSA-N 413.905 4.939 0 1 HJAF CCC(=O)[C@@H]1[C@@H](c2ccc(/C=C(/C)I)cc2)C[C@@H]2CC[C@H]1N2 27900974 FMZWUJWDVRSFBN-LTDCLXQRSA-N 409.311 4.686 0 1 HJAF O=C(Nc1cc2ccccc2cn1)N1CCN(c2ccccc2C(F)(F)F)CC1 28109354 RRFBROIHUWRWGX-UHFFFAOYSA-N 400.404 4.608 0 1 HJAF COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12 29475049 OQKWNURKYJHTHP-UHFFFAOYSA-N 421.497 4.540 0 1 HJAF CCC[C@@H]1c2[cH-]cnc2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c2c1CCCO2 103531694 YPLYOBWJRAHFTJ-TZIWHRDSSA-N 406.502 4.519 0 1 HJAF biogenic,in-vitro C[C@@]12CCC(=O)c3c1c(nn3Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 169319067 BXNNFPHCTNPRQD-MMUXUBNZSA-N 402.538 4.733 0 1 HJAF Cc1cc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(C(N)=O)c2n1 219004760 JYFYGXZKZWRPDQ-UHFFFAOYSA-N 407.477 4.593 0 1 HJAF O=C(c1cc2ccc(O)cc2[nH]1)c1ncc(-c2c[nH]c3cc(Br)ccc23)[nH]1 238732363 HJNMACOEZWATGH-UHFFFAOYSA-N 421.254 4.738 0 1 HJAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 238776555 AEHXVYOSNIAJOA-OSOCYATBSA-N 402.487 4.709 0 1 HJAF CCc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586962371 WUVCFLZYTLREOP-WTNAPCKOSA-N 409.555 4.820 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3C(=O)OCc1ccccc1 586990375 DIWUKOKWKARJDX-KRWDZBQOSA-N 407.425 4.535 0 1 HJAF Fc1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006248 BNJRJNADYBQZEO-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF COC(=O)[C@@H](Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 587400295 MKBBOCZAECIAPX-PKTZIBPZSA-N 417.461 4.577 0 1 HJAF COc1ccc(-c2cc3c(cc2[C@H]2CC(=O)c4cc(C)cc(N)c4O2)OCO3)cc1 587406890 FKEVLLQATOGVNQ-OAQYLSRUSA-N 403.434 4.688 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)c(C(=O)c4ccccc4)n4ccccc14)[C@@H](C2)C3=O 587435428 FXKKJEWENGHDOL-UZTOHYMASA-N 423.468 4.976 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cccc12 587546122 OBKMQLVKKZBZRE-DENIHFKCSA-N 423.262 4.958 0 1 HJAF COc1ccc(C[C@H](C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556017 UDTUHTBAJOLNIM-XHCKBEORSA-N 408.425 4.749 0 1 HJAF CCOc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587593015 ZXKKWHQLXQBDHT-URXFXBBRSA-N 401.418 4.975 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610909 HLWADYJPLAIJJO-OFNKIYASSA-N 424.474 4.654 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccs2)n1 587613461 OZTZEQMEMMCPPG-AVRDEDQJSA-N 404.447 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1 587693985 FWGXFSVABHROGM-DYBLOJMWSA-N 412.686 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728223 ACTYZDNSKOBQFK-JEOXALJRSA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1 587729821 HUGDJQRSZZPBAB-SBKAZYGRSA-N 420.253 4.631 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)nn2C)N1 587850714 DYOPKYMGALYHNB-XTZNXHDOSA-N 406.324 4.674 0 1 HJAF CCOP(=O)(C[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC 587851345 VWQCGFVTNWCZLA-SJKOYZFVSA-N 422.275 4.994 0 1 HJAF c1ccc(CN2CCN(C[C@H]3CO[C@@](c4ccccc4)(C4CCCCC4)O3)CC2)cc1 653704241 YIECJFDJCQNWNM-RRPNLBNLSA-N 420.597 4.653 0 1 HJAF CCn1c([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)nc2c(O)cccc21 962695878 GHXAQUWCFULWCM-IQMFZBJNSA-N 411.546 4.528 0 1 HJAF Cc1c(F)cccc1[C@]1(CCCC(=O)O)c2cccc(Br)c2CCN1C 963282864 ZGVCEHVEPGFZKU-OAQYLSRUSA-N 420.322 4.883 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCCC(=O)O)c1c(C)cc(C)cc1C 963636717 RUJKKEFJLHJCSI-BVZFJXPGSA-N 411.542 4.662 0 1 HJAF Clc1cc(Cl)cc(CN[C@@H]2CCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772651337 ALKJREGOUJGYEK-CQSZACIVSA-N 410.736 4.677 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N2CCC(Oc3ccc4ccccc4c3)CC2)c(C)c1 1857575799 PCZTVTBJAZESED-UHFFFAOYSA-N 409.551 4.997 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCC4=C(C(=O)O[C@H]4O)[C@@]3(C)[C@@H](O)C[C@H]21 2356835479 KSFWGNGARDVQPT-FIOPEVBESA-N 402.575 4.588 0 1 HJAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O 61921275 WIRDLAHTVWCPQN-GOSISDBHSA-N 403.869 4.777 0 3 HJAF COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)cc4)c23)C1 26718312 QCUDJDUUJFVRSC-WBVHZDCISA-N 413.905 4.939 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@H]1c2ccccc2N[C@@H]1C3 28127006 OZDWUFRFWFSOQE-QNYNLYQUSA-N 416.565 4.667 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@H]4[C@H]3CC[C@@H]12 34315789 IVMOGXVDSLYJFW-OTQWVXNLSA-N 424.610 4.956 0 1 HJAF CC(C)n1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O 38215837 DXEARAZHGYNHJV-UHFFFAOYSA-N 405.542 4.899 0 1 HJAF COCCNCc1ncsc1-c1ccc2c(Nc3cc(O)ccc3C)ccnc2c1 45227907 XIFHJBVSQBINEO-UHFFFAOYSA-N 420.538 4.852 0 1 HJAF COc1cc(OCc2ccccc2)cc2c1nnc1c(C)nc(-c3ccncc3C)n12 95574568 WLMFGIKOAOYYJI-UHFFFAOYSA-N 411.465 4.544 0 1 HJAF COc1ccccc1C1=NO[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1ccccc1 103236570 JNDVYEQTXXALIK-NFBKMPQASA-N 404.853 4.714 0 1 HJAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 138108734 GMAUEXPAYZYHFY-HLNVTEJASA-N 404.635 4.940 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 169365682 HWQISLZWCOZLRA-LTKVOYPCSA-N 407.554 4.580 0 1 HJAF CCC(C)(C)n1cc2[nH]c3c(-c4cc(OC)ccc4OC)cccc3c(N)c-2c1=O 169729121 ZFNKUJWYZVMLNO-UHFFFAOYSA-N 405.498 4.846 0 1 HJAF Cn1nc(-c2ccc(F)cc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2 226001939 FHXPHBCPZVSYFD-UHFFFAOYSA-N 404.272 4.732 0 1 HJAF Fc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1Br 587005779 RZZVQMASTGHHRC-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587150227 BJEQGVLVGFYVPQ-QWRGUYRKSA-N 407.214 4.661 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(F)(F)F)Oc3ccc(N)cc31)CC2=O 587463507 BGFPGWNIFQVDCF-HXUWFJFHSA-N 405.372 4.626 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1ccc(Br)cc1C2 587545446 MJMUHMIGJYSJPG-DENIHFKCSA-N 423.262 4.654 0 1 HJAF C[C@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555004 KCPOHAPGBOERQK-KDOFPFPSSA-N 407.369 4.745 0 1 HJAF COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C 587574585 BSKCLSUSQDCFEJ-URXFXBBRSA-N 401.418 4.595 0 1 HJAF Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1C 587578847 BHURDHIPOLXZKW-RDGATRHJSA-N 412.445 4.898 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CN1CCCC1 587592072 HMZHMGGSPPNVAX-DHLKQENFSA-N 401.462 4.691 0 1 HJAF COc1ccc([C@@H]2C[C@]3(CCO2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587615766 HEWCXOJZIWDAJQ-HWBMXIPRSA-N 418.445 4.653 0 1 HJAF COc1ccccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702652 FGUXSBUEQZWPPU-BTDLBPIBSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC(F)F)c2)N1 587717091 KMSMVFNIFUSMQA-ZKANADHPSA-N 404.201 4.952 0 1 HJAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2cnn(C)c2)c1 587758795 JMWSCUNHVJIXDD-LRTDBIEQSA-N 414.322 4.921 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798612 PKYBZAFXHIFHSF-QQGDVQBRSA-N 406.295 4.510 0 1 HJAF CCOc1cc(OC)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803494 WQJGBSDFKXNTKE-FKIZINRSSA-N 408.311 4.793 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2c1c(C)nn2C(C)C 587872269 JDGGGWYOLUPRAL-UHFFFAOYSA-N 421.476 4.719 0 1 HJAF Cc1cc2c(cc1F)[C@](c1ccccc1F)(c1ccccc1CN1CCC1)NCC2 962147772 QIRSBXQZOPORBA-AREMUKBSSA-N 404.504 4.917 0 1 HJAF COc1ccc2c(c1OC)[C@@](COCc1ccccc1)(C(F)(F)F)N(C)[C@H](C)C2 962622115 JCXMTCQOIRGOAS-VFNWGFHPSA-N 409.448 4.555 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 962908344 VRGIKCRTKLVENJ-BBRMVZONSA-N 408.178 4.537 0 1 HJAF CC(C)c1nn(C)c2c1[C@@H](c1cccc(OC(=O)c3ccccc3Cl)c1)NCC2 962922393 WOOGYJJAUOIJBO-JOCHJYFZSA-N 409.917 4.651 0 1 HJAF Fc1ccc([C@@H]2c3ccc4ccccc4c3Oc3[nH]c(=S)n4nnnc4c32)cc1 1857579945 DJCBLPOAZNLEPO-MRXNPFEDSA-N 401.426 4.760 0 1 HJAF O=C(O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F 1491449 JPMBYLGBEPETJW-UHFFFAOYSA-N 407.295 4.732 0 1 HJAF CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O 1910340 WUZIMDSVRIBNNI-DEOSSOPVSA-N 403.478 4.906 0 1 HJAF in-vivo CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 82141196 QJVHYKPHJQOLDU-KRWDZBQOSA-N 406.505 4.774 0 1 HJAF Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 84652487 OODPIPSSGLSZPL-UHFFFAOYSA-N 407.949 4.819 0 1 HJAF CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1C 88345911 SFUBQGSYRFAFQY-GOSISDBHSA-N 424.508 4.837 0 1 HJAF CCCc1cscc1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O 95921212 SFUUSYIYAKSHRW-SFHVURJKSA-N 404.963 4.721 0 1 HJAF in-vitro Cc1ccc(C(=O)c2cc3c(-c4cccnc4)nn(-c4ccccc4)c3nc2O)cc1 96911163 JTAPKLKGOFTNMO-UHFFFAOYSA-N 406.445 4.728 0 1 HJAF O=C1Nc2c(Cl)cccc2/C1=C\NCCCNc1ccnc2cc(Cl)ccc12 102814675 GABZNAASJZFEJC-FOWTUZBSSA-N 413.308 4.926 0 1 HJAF Cc1nn(-c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2F)c(=O)n1C(F)F 103182968 OBBJYPQXMMRQBO-UHFFFAOYSA-N 418.202 4.762 0 1 HJAF Cc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3C=Cc3ccccc32)cc1 149596479 KCUGWQRFPCYWEP-QHCPKHFHSA-N 401.531 4.916 0 1 HJAF COc1cccc(C)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167420511 DWMCXQLHQGWMOG-HOTGVXAUSA-N 413.823 4.983 0 1 HJAF CCOC(=O)/C(=C/c1ccc(Br)cc1)CSc1nc(C)cc(C)n1 169308084 GXEDQOWHQSSXGK-XNTDXEJSSA-N 407.333 4.595 0 1 HJAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586906427 CYGWIHROCBZTJO-QMMMGPOBSA-N 413.193 4.925 0 1 HJAF CCCOc1cc2nc(-c3ccccc3S(=O)(=O)CC)[nH]c2cc1Br 586922762 SHXHSDHPCZHTDU-UHFFFAOYSA-N 423.332 4.575 0 1 HJAF CC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027968 VHQJXFASBNBBIQ-QMMLZNLJSA-N 407.539 4.902 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587043640 SCSSNPWKJLZOMO-INIZCTEOSA-N 421.444 4.868 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587103940 ORKGYZOJKLJRBZ-UHFFFAOYSA-N 418.449 4.624 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 587107461 SGIYREDMPAWVNS-KBXCAEBGSA-N 412.489 4.953 0 1 HJAF FC(F)(F)c1nn(CCc2nc3ccc4c(c3[nH]2)CCCC4)cc1Br 587118335 MEOXPTDCKPEMQF-UHFFFAOYSA-N 413.241 4.662 0 1 HJAF Cn1nc(-c2nc3cc(F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587129092 BTROZRXUHYRKIX-UHFFFAOYSA-N 409.371 4.919 0 1 HJAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Cl)cc4[nH]3)o2)c1 587157468 MTZUTRVJDXOFQQ-UHFFFAOYSA-N 421.657 4.953 0 1 HJAF Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cccc1C(F)(F)F 587276681 QZPBVWQGVJRRLY-UHFFFAOYSA-N 414.177 4.641 0 1 HJAF Cc1ccc([C@@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587346494 MSOQLSYRUQVLSR-RCZVLFRGSA-N 414.436 4.866 0 1 HJAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1-n1cccc1 587392555 ZMJDDAPMUCBXGZ-HXUWFJFHSA-N 406.482 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O 587476568 PZPDKEINHZBRKW-WZONZLPQSA-N 423.509 4.727 0 1 HJAF COCOc1ccccc1[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515779 RIFWXKVGIVMNBT-SANMLTNESA-N 415.489 4.852 0 1 HJAF C[C@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551138 DRKRKXBNUHYQGU-OXQOHEQNSA-N 402.233 4.971 0 1 HJAF C[C@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557874 PLPMAHVQYAOWSQ-ZJSXRUAMSA-N 416.408 4.594 0 1 HJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C 587584006 YCUZPKZWYFXWMN-BWKNWUBXSA-N 412.445 4.804 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598877 YSCRCRNYOJUCPJ-OFVILXPXSA-N 420.461 4.648 0 1 HJAF CCOC(OCC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598879 YSCRCRNYOJUCPJ-PXDATVDWSA-N 420.461 4.648 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(CC(F)(F)F)s2)N1 587709024 HJJLSHYXYRJVNQ-JKYUHCHBSA-N 409.246 4.773 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1 587713807 OBVVCSCFCZFJJB-ABKXIKBNSA-N 405.233 4.743 0 1 HJAF Cc1nccn1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754995 NNBSFZFZCAYRPZ-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF COc1ccccc1CC[C@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903226 MEBNTTDNLYERNF-JYFHCDHNSA-N 419.496 4.618 0 1 HJAF CC[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522555 FKYCSUOTHBORIB-UFPGJGBJSA-N 401.506 4.737 0 1 HJAF Cc1nnc2n1-c1ccc(-c3cnn(C)c3)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857534939 MDRXOFSNECSECW-FQEVSTJZSA-N 404.905 4.729 0 1 HJAF CC(C)[C@H](N)c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 1857607510 CLDPAGZCSBWTSH-IBGZPJMESA-N 411.575 4.594 0 1 HJAF CC(=CCCC1=CC[C@H](C2=CC(=O)O[C@H]2O)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 1857742904 FGJIDQWRRLDGDB-YFNKSVMNSA-N 416.558 4.855 0 1 HJAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(C[C@H]3CCCc4ccccc43)cn2)c1 1857774858 GZSKYQYFMMZVFA-MRXNPFEDSA-N 424.430 4.869 0 1 HJAF C[C@@]1(C(=O)NCc2cccc3ccccc23)CCN1Cc1ccccc1OC(F)F 61904585 FXUZXUAIHUURPT-DEOSSOPVSA-N 410.464 4.722 0 3 HJAF CC1(C)CN(C2CCCCC2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 61923189 BIRBAALIPCLMCW-QGZVFWFLSA-N 407.352 4.595 0 3 HJAF CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 13519671 ABTSFZNLJVMLDO-QZTJIDSGSA-N 414.343 4.789 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@]1(O)c3ccc(O)c(CC=C(C)C)c3O[C@H]21 14780976 ZAAKSBRPXNODLV-RPBOFIJWSA-N 408.494 4.829 0 1 HJAF biogenic CCc1cc(-c2ccc(C(=O)CC(C)(C)C(=O)NCc3cccnc3)cc2)ccc1O 29123263 QFKKXYUVMGHZTB-UHFFFAOYSA-N 416.521 4.932 0 1 HJAF Cc1cc(/C=C/c2ccccc2OC[C@H](O)CN[C@H](C)CCc2ccccc2)on1 29231452 MJXYGUDQUMSFBE-HJFJEBFMSA-N 406.526 4.504 0 1 HJAF O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 38900630 LZIMXYHEOIMQGS-ZEQRLZLVSA-N 421.924 4.886 0 1 HJAF CC(C)c1ccccc1[C@@H]1CC(c2cccc(Br)c2)=NN1C(N)=S 40424108 KCNGASSWAOZUBN-SFHVURJKSA-N 402.361 4.967 0 1 HJAF CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12 66136562 ACNJSANQXJKRCD-IIBYNOLFSA-N 414.299 4.801 0 1 HJAF CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1cccc(Cl)c1C 72109187 QGGIEEFOSPUOQF-UHFFFAOYSA-N 417.887 4.977 0 1 HJAF CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 72139372 HQPFVUSWARQYSL-KXBFYZLASA-N 415.331 4.857 0 1 HJAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)C1 82142365 HRMDLDPDLNKBOB-HCXYKTFWSA-N 410.562 4.870 0 1 HJAF CC(C)C[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95552156 CYYSZAZPIWBLCE-JPGHVHQMSA-N 420.553 4.680 0 1 HJAF O=C(Nc1nccs1)[C@@H](CC1CCCCC1)n1cnc2ccc(Cl)cc2c1=O 95602904 HVKYOUMNZBBQOQ-QGZVFWFLSA-N 416.934 4.657 0 1 HJAF COc1cccc([C@@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)c1OC 100796257 PDKDRHSQWZURKP-LLVKDONJSA-N 419.886 4.564 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(Cl)cc1 203330491 SSIRCQMJXYYSTH-IBGZPJMESA-N 424.884 4.665 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 587092114 RXLXCUKHLZWGAW-UHFFFAOYSA-N 401.797 4.719 0 1 HJAF CC(C)(C)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587187634 JTKXDVMKXYCIRQ-UHFFFAOYSA-N 416.266 4.780 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1 587191957 PRCDOLJSINZURI-HNNXBMFYSA-N 417.307 4.677 0 1 HJAF Oc1nc(O)c2ccc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2n1 587368193 DTBOBBCTIMUABG-UHFFFAOYSA-N 414.248 4.989 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(CCC)CC1)CC2=O 587474548 IFEVUHBVUVSDNT-XMMPIXPASA-N 408.542 4.583 0 1 HJAF Nc1ncc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534563 CIQBENUXNCQLTI-QFIPXVFZSA-N 410.926 5.167 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576563 JJZKERTXXGNNBJ-WGGBDISSSA-N 421.449 4.568 0 1 HJAF Cc1cc(C)c2nc(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587590018 ZDZGOBOLXMBGJO-YKSBVNFPSA-N 413.429 4.966 0 1 HJAF COc1ccc2[nH]cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587801098 DMRGLNUFXUDVNO-YBTHPKLGSA-N 403.295 4.876 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1 587829042 VOICOTRYXQPBQY-XUSGNXJCSA-N 418.306 4.791 0 1 HJAF FCCOc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962649274 ZTIPKTLYHHOJEF-OZXSUGGESA-N 402.513 4.871 0 1 HJAF O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@]2(C1)c1c(F)cccc1C[C@@H]1CCCN12 963093560 AIHRPSPFNFIFAD-ANSQWYIGSA-N 418.512 4.670 0 1 HJAF Cc1cccc(I)c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963118436 ZKFBUOPHGGYTQC-KXBFYZLASA-N 407.270 4.849 0 1 HJAF CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1NCCc2c(C(=O)O)cccc21 963133808 SSYILFOARYDSHB-LJQANCHMSA-N 409.917 4.757 0 1 HJAF Cc1cnc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)s1 1857750494 YQBVLBKFQRHNTO-UHFFFAOYSA-N 403.511 4.642 0 1 HJAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 2356341365 MLTYJMYPDLQLJF-ZQSQRCHBSA-N 418.574 4.708 0 1 HJAF Cc1cccc(-c2ncc(CN3CCC[C@@](CO)(Cc4ccccc4C)C3)cn2)c1 11957709 CSLKKFDKALSJNG-AREMUKBSSA-N 401.554 4.578 0 3 HJAF CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)n1 1553746 FSMHXHOMHGLNCA-MRXNPFEDSA-N 418.476 4.708 0 1 HJAF CCOC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 1632340 CYRGUIBVDJAYKQ-CQSZACIVSA-N 417.918 4.543 0 1 HJAF CC(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(=N)N)c2)cc1 13557996 MQUWANGNVHJPMO-UHFFFAOYSA-N 400.482 4.599 0 1 HJAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@@H](C)CCO 14928410 VPMNGIVCZXQPSU-AOPPTFJZSA-N 408.579 4.670 0 1 HJAF biogenic CCc1nc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1 27557699 AMTLTKHFPGSMIE-UHFFFAOYSA-N 408.465 4.618 0 1 HJAF Oc1cccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 28886006 RAEUXCRVYZPPCZ-IZZNHLLZSA-N 406.570 4.929 0 1 HJAF COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1OC 29483734 FBADLTXGBADECK-GOSISDBHSA-N 404.510 4.907 0 1 HJAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cn1)C2 36126693 DHAIYNYURHDUCT-DEOSSOPVSA-N 417.528 4.579 0 1 HJAF CC(C)c1ncc(-c2ccncc2)c(C2CCC(CNC(=O)c3cccnc3)CC2)n1 45334902 GAYJDZZEGOKBID-UHFFFAOYSA-N 415.541 4.761 0 1 HJAF Cc1cc(Cl)ccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1 49088592 JOBWDIFVTIVJKX-FQEVSTJZSA-N 409.917 4.756 0 1 HJAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)N2C1=O 66103813 VMUZDXCLODOOOJ-HKUYNNGSSA-N 414.292 4.773 0 1 HJAF O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1 71318267 XZCVSAPFDLKDPA-GVAUOCQISA-N 405.513 4.828 0 1 HJAF O=C(NC1CCCC1)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102878 YMPGTUXMEYETOA-JOCHJYFZSA-N 412.965 4.531 0 1 HJAF CN1C/C=C/CCOc2cccc(c2)-c2nc(nc3[nH]cnc23)Nc2cccc(c2)C1 73224282 IADKHXRZAFUCSV-NSCUHMNNSA-N 412.497 4.534 0 1 HJAF C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1CCc1ccccn1)c1ccccc1 82185416 FQWKUNXGJUNVLI-SFHVURJKSA-N 412.541 4.632 0 1 HJAF OC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95875685 QCEKRGCUOHXWTI-YTFSRNRJSA-N 422.535 4.821 0 1 HJAF Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cccc(N4CCN(C)CC4)c3)cc2)ccn1 103273551 DLEJDGZFPDWZMH-HXUWFJFHSA-N 414.553 4.551 0 1 HJAF Cc1ccc(NC(=O)[C@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144305615 YOKTVDSUNBHKOQ-JOCHJYFZSA-N 415.493 4.676 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169322990 WHWOXTLAMAZUQG-COIYRHGESA-N 400.607 4.894 0 1 HJAF CN(C)[C@]12C[C@H](NCN3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 299811867 BUPIVROIGNEUGH-YUDMECHNSA-N 403.614 4.680 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017719 PNPGBPKHOIWUPV-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF Fc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1Br 587077555 WFVULPNQHOGUEO-UHFFFAOYSA-N 421.657 4.953 0 1 HJAF COc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(Cl)n1 587086401 IWBOJERINSDJRE-UHFFFAOYSA-N 417.488 4.812 0 1 HJAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(F)c(F)c4[nH]3)o2)c1 587157983 RVMYOTOEWFZANW-UHFFFAOYSA-N 423.192 4.578 0 1 HJAF c1ccc(CN(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2)cc1 587195315 DGZKFRAQACIEQP-UHFFFAOYSA-N 412.537 4.602 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c1 587231421 ASOASEQRYHUYSP-UHFFFAOYSA-N 411.292 4.882 0 1 HJAF Cn1cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2n1 587342290 MRIBIEICQFEARI-LADGPHEKSA-N 402.425 4.692 0 1 HJAF CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc1C 587347380 BCJNWQBKJMBMEP-XUZZJYLKSA-N 424.424 4.884 0 1 HJAF COCc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC 587352630 PJXQNNVEOCEAJM-ILBGXUMGSA-N 422.452 4.961 0 1 HJAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccnc1 587436544 QOQMQNTZSIYLFN-KBMIEXCESA-N 417.461 4.557 0 1 HJAF Cc1cc(Br)cn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587500469 XALZOBMDVQNSCE-IBGZPJMESA-N 411.299 4.991 0 1 HJAF CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522247 DYQQBXWYULVXTK-RUZDIDTESA-N 403.478 4.779 0 1 HJAF Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587552017 MIRYJGTWUWITNE-GUYCJALGSA-N 403.221 4.500 0 1 HJAF O=C(c1ccc(-n2cccc2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660129 CIRHAHJOBAPYEK-UHFFFAOYSA-N 409.420 4.682 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2C(F)(F)F)N1 587711496 KVAJHYLLFFDGMJ-PWJLMRLQSA-N 404.201 4.936 0 1 HJAF CCN1C(C)=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21 587776292 XAIVKLVNSXDHGC-LAJNKCICSA-N 416.338 4.692 0 1 HJAF COc1ccccc1-c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587791024 DZMGIVNGNNBIAL-BIBXISHDSA-N 417.278 4.875 0 1 HJAF CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C 587954685 AVMJYCHOXUQFNE-SFHVURJKSA-N 401.532 4.912 0 1 HJAF O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 653687130 XFHLYLFABDLYDJ-UHFFFAOYSA-N 421.972 4.825 0 1 HJAF C[C@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccccc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CC[C@@H]2O 653754014 VUWRCRYQERJXBP-SLQGDATJSA-N 404.554 4.525 0 1 HJAF O=C(Nc1ccccc1O)[C@H]1CCc2ccccc2N1C(=O)c1ccccc1Cl 653833268 TVCRSCRTIZBHMS-HXUWFJFHSA-N 406.869 4.646 0 1 HJAF CN(C)Cc1csc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962646336 ZLJQTIPRVBKRHE-RDGATRHJSA-N 403.595 4.646 0 1 HJAF COc1ccc2c(c1)[C@H](c1coc3cc(Br)ccc3c1=O)N[C@H]1CC[C@@H]21 962994589 KZMLHESSVCPEAD-ADLFWFRXSA-N 412.283 4.503 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](C1=Cc2cc(Br)ccc2OC1)NCC3 963044126 CBLUGKSGQNNKEA-NRFANRHFSA-N 423.310 4.669 0 1 HJAF Oc1ccc2c(c1)[C@@](CNc1ccc(Br)cc1)(c1ccccc1)NCC2 963344124 YWQJRAHNEIMHSC-JOCHJYFZSA-N 409.327 4.656 0 1 HJAF O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1cccc(Cl)c1 1857565833 SFKGMTJBORQIMQ-UHFFFAOYSA-N 400.869 4.971 0 1 HJAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccc(C)cc4C)cccn23)cn1 1911578141 UQBOVIBXAQIQFP-UHFFFAOYSA-N 414.509 4.650 0 1 HJAF CC1=C[C@H](CNC2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356310777 KSAYIMPPBMVPRB-NNMXDRDESA-N 412.597 4.783 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213273 ZYCPOHNMPCLYQV-KPOBHBOGSA-N 411.949 4.559 0 1 HJAF O=c1cc(-c2ccccc2)oc2cccc(OCCCCCCN3CCC(O)CC3)c12 12356393 GPKJUEQFPWFURK-UHFFFAOYSA-N 421.537 4.856 0 1 HJAF [O-][n+]1cccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 13738230 ZGSVHCZVJDJLPX-UHFFFAOYSA-N 417.940 4.565 0 1 HJAF COc1ccc2cc([C@@H](O)[C@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl 23247598 ZCAQYJBALMKXDC-BVZFJXPGSA-N 424.972 4.742 0 1 HJAF CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@H](O)CC=C(C)C)OC1 27892941 NIYAENRGXVJXGA-AKYCOXKESA-N 424.578 4.500 0 1 HJAF O=C(O)Cc1sc(Cc2ccccc2Br)nc1-c1ccc(F)cc1 45336651 UKHILQXQALHBSK-UHFFFAOYSA-N 406.276 4.930 0 1 HJAF CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167904 QRXNHLRVKKVQFT-AGHHOFFYSA-N 418.474 4.809 0 1 HJAF CCN(CC)[C@H](c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)c1nnn[nH]1 96922038 XYHOHTHZSXSGKQ-HXUWFJFHSA-N 407.909 4.576 0 1 HJAF Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3N(Cc2ccc(F)cc2)OC1(C)C 96924227 HQSFYZMGTUTHKZ-RXVVDRJESA-N 409.457 4.825 0 1 HJAF O=c1c([C@H]2C3=C(O)Oc4ccccc4C3=Nc3ccccc32)c(O)oc2ccccc12 103914534 LXBHHQWEWXBBHT-LJQANCHMSA-N 409.397 4.927 0 1 HJAF Cc1ccc(Cl)cc1-n1c(SCc2cccc(F)c2)nc2nncc-2c1O 103970213 DXEMTXVCMIDIHA-UHFFFAOYSA-N 400.866 4.866 0 1 HJAF COc1cc(Cl)cc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219760463 RMPINAGEJHZXRP-QHCPKHFHSA-N 423.940 4.814 0 1 HJAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586912976 PPNMMTBQFHOGFJ-APWZRJJASA-N 419.934 4.690 0 1 HJAF CCOC(=O)N1C=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CCC1 586988618 SMDQZDUEVVMMDJ-UHFFFAOYSA-N 400.434 4.745 0 1 HJAF Cc1onc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c1COc1ccc(Cl)cc1 587076878 YGEOXRJWZVCIFA-UHFFFAOYSA-N 401.781 4.596 0 1 HJAF Cc1ccc(-c2cc(-c3nc4c(O)nc(S)nc4[nH]3)c3cccc(Cl)c3n2)o1 587083130 HYRZFSVOIWCVSV-UHFFFAOYSA-N 409.858 4.784 0 1 HJAF FC(F)(F)Oc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127372 RONNUQNIMTVSHV-UHFFFAOYSA-N 402.254 4.903 0 1 HJAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)c1 587160260 OGRSWTGWLOIEHS-UHFFFAOYSA-N 416.500 4.796 0 1 HJAF C[C@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341544 JSUBVUMBYSFEIM-ILBGXUMGSA-N 414.436 4.991 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cnc(Cl)s1)O2 587414767 VUZHEKCYFOOJGT-GOSISDBHSA-N 400.887 4.973 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(CC(F)(F)F)s1 587546840 KDQMNZGRLUDFPS-MAUKXSAKSA-N 407.369 4.656 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1OC 587547836 UXHFGVAQOZRJQO-UTKZUKDTSA-N 412.825 4.766 0 1 HJAF CC[C@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1 587747720 RMGZPWGSAKQQJK-QDEDPJFRSA-N 419.338 4.899 0 1 HJAF COc1ccc2c(c1)C=C([C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2 587832767 CQECCCRKIPRCKS-QKVFXAPYSA-N 418.306 4.822 0 1 HJAF C[C@H]1CCc2cc(-c3cnc4ccccc4n3)ccc2N1C(=O)c1ccc(O)cc1O 653663542 QXCUSMAHYXWCOF-HNNXBMFYSA-N 411.461 4.690 0 1 HJAF Cc1c(F)ccc2c1[C@](c1ccncc1)(c1ccccc1NC(=O)C(C)(C)C)NCC2 962369799 BERUHWSEYYFSFK-SANMLTNESA-N 417.528 4.951 0 1 HJAF CCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180137 GFMBDGVULYSLFI-PKOBYXMFSA-N 413.823 4.620 0 1 HJAF C[C@]1(COc2ccc3c4c(c(=O)oc3c2)CCCC4)NCCc2cccc(Cl)c21 963390663 MRSNTLMIIGYUCB-XMMPIXPASA-N 409.913 4.765 0 1 HJAF CCC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963614116 WFLLZQWRVDEGBZ-NIYFSFCBSA-N 408.586 4.555 0 1 HJAF Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)F)sc2c1CCC2 1772653358 IMJJIRXMIVGOMR-UHFFFAOYSA-N 418.387 4.934 0 1 HJAF CN(C)C(=O)c1ccc(-c2cc3c(Nc4cccc(N(C)C)c4)nccc3n2C)cc1 1857576042 QHAWYRHMFNQYAN-UHFFFAOYSA-N 413.525 4.752 0 1 HJAF O=c1c2c([nH]c3ccccc13)[C@H](c1ccco1)N(c1ncc(-c3ccccc3)cn1)C2 1857759452 XGSBDPNAFAFBKJ-QHCPKHFHSA-N 406.445 4.688 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@@H]1[C@H](C)C[C@@H](C=C(C)C)OC(C)=O 2356631354 ZIISMZIZMXGTAW-WNFFGZMUSA-N 422.562 4.766 0 1 HJAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@]3(C)CCC[C@]4(CCC[C@@H]14)N3C2 2356808252 YPIJXCVPEFMAJE-LHAKMFHHSA-N 419.993 4.723 0 1 HJAF Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCc5ccccc54)o3)cc2c1C 1223295 OLZPSAROTDJSNV-UHFFFAOYSA-N 418.522 4.906 0 3 HJAF C[C@H](C(=O)NCc1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 95600777 NMIUNCFSUCETBT-MRXNPFEDSA-N 405.448 4.783 0 3 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 768605 CJUAMKBJDCAIEO-JTHBVZDNSA-N 422.887 4.930 0 1 HJAF C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NCc1ccc2c(c1)OCO2 4506547 JDCLANNLOAZELT-XYOKQWHBSA-N 400.891 4.814 0 1 HJAF CCNC(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 13744253 YWTKOYWBOSNAGR-FQEVSTJZSA-N 410.514 4.688 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O)O)S(=O)(=O)O 13746350 GAGCDEGBGYUQJJ-ANFLJRJNSA-N 408.497 4.968 0 1 HJAF in-vitro CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(N3CCCC[C@@H]3CCO)nc21 26475090 CMZCHRPQVPCQAP-QGZVFWFLSA-N 414.941 4.546 0 1 HJAF COc1cc(C)ccc1OC(=O)[C@H]1CCCN1C(=O)[C@H](C)c1ccc(CC(C)C)cc1 28642420 LGVPDRCTJSOYKD-DENIHFKCSA-N 423.553 4.902 0 1 HJAF Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3CO)nc2-c2ccc(C)cc2)cc1 28900409 HQKXFIJHBIYHNR-FGZHOGPDSA-N 415.537 4.708 0 1 HJAF Brc1cccc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)c1 29203581 JDOUIOVIVKVSIZ-UHFFFAOYSA-N 412.335 4.644 0 1 HJAF N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(Cl)cc1Cl 29413303 ZVMXVGMSIQYWFX-UHFFFAOYSA-N 405.116 4.961 0 1 HJAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccccc2F)O1 29413930 JOCPRPQYCUGFGM-XEVLESSRSA-N 411.256 4.791 0 1 HJAF COc1ccccc1CCCNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 49052574 YKCXYNCLHSMBJV-DEOSSOPVSA-N 403.522 4.534 0 1 HJAF CCC(CC)c1nc2c(NCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82184675 SIFZCLAZTNRBQX-UHFFFAOYSA-N 424.568 4.967 0 1 HJAF O=C(O)CCC/C=C/C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 100570205 XBEXHWPCLKUYDD-BYSLQYDSSA-N 400.490 4.761 0 1 HJAF Cc1ccoc1C(=O)Nc1cccc(Nc2ccnc(-c3cc(C(=O)O)c[nH]3)c2)c1 116235492 NXUSKSUIDVFHMV-UHFFFAOYSA-N 402.410 4.672 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 136690959 NEMWYOKGHGSVSC-DZYYLIMLSA-N 415.662 4.563 0 1 HJAF CCOC(=O)[C@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139039745 LRTRDJKXHRFEJI-SFHVURJKSA-N 418.497 4.792 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCCCC4(C)C)C2)cc1 142321687 XHWQGLUGNOBREA-KRWDZBQOSA-N 408.542 4.602 0 1 HJAF CC(C)Oc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br 586880736 BHPAXVGSNXUVPV-FPLPWBNLSA-N 401.260 4.877 0 1 HJAF COc1cc(OC)c2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2c1 587138955 XOSFYTKWNDLVKC-UHFFFAOYSA-N 410.376 4.891 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)O2 587401647 VEQHCFOMKNQTNQ-FQEVSTJZSA-N 408.498 4.971 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O 587424581 PJEQZWFXNHWZAN-XTZNXHDOSA-N 411.654 4.913 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Br)c1N)CC2=O 587455417 BSJSUQGQEBSCBM-FQEVSTJZSA-N 420.303 4.579 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2=O 587478018 ZEEMFKVNRBLQCS-VMPBMTGNSA-N 415.530 4.716 0 1 HJAF CCOC(=O)[C@H](Cc1ccc(F)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506302 JUQJVUITNVHDCW-OFVILXPXSA-N 410.485 4.850 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC 587549011 YPADMDCQIPENLN-WIYYLYMNSA-N 412.825 4.766 0 1 HJAF Cc1csc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12 587617545 KDBCSWSFDUSVEE-KDOFPFPSSA-N 412.854 4.766 0 1 HJAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl 587692110 JUKZCTJUYUJXGM-NIVTXAMTSA-N 413.718 4.630 0 1 HJAF COc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587709419 MJMBFCPOBFYGPR-BTDLBPIBSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1 587713665 UBCKTFXRVVHYSS-XXFAHNHDSA-N 419.216 4.548 0 1 HJAF CCCCC[C@@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755251 HGBFUXSSJPGVON-XCLFUZPHSA-N 408.359 4.988 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)C2)N1 587769747 PTHBMIACUNEUPW-YCRPNKLZSA-N 403.339 4.614 0 1 HJAF COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(OC)c1O 587784866 DYMQYWZORXOBOP-UHFFFAOYSA-N 417.181 4.734 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587810094 SZNKRDNWTJPCTH-GBLZOACLSA-N 412.343 4.851 0 1 HJAF CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813332 UYLQUMIKAYUEOM-FKIZINRSSA-N 406.295 4.701 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825094 FPTPVCVSZNLIGJ-BHPXDGFMSA-N 408.355 4.669 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc3cccnc3c2)N1 963179601 MKOCCCFLTJXMGM-MAUKXSAKSA-N 406.791 4.595 0 1 HJAF Cc1cc(-c2cccc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)c2)ccc1O 963235830 VSPMEWUTEWKJFF-ZCYQVOJMSA-N 410.473 4.604 0 1 HJAF C[C@H](c1cc(F)cc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1 1772587107 OQQSVQAAPGCJFY-QVKFZJNVSA-N 410.876 4.909 0 1 HJAF C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccccn3)cc2)cc1OC 1857590423 LZUKMGFQVNCGGB-CMDGGOBGSA-N 414.505 4.885 0 1 HJAF COC(=O)c1cc(OC)c2cc(O)c3c(c2c1O)[C@H](C)[C@@H]1[C@@H](C(C)C)CC[C@@]1(C)O3 2356586035 JVSMFQFBSQVHOE-WVTNRCAFSA-N 414.498 4.983 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@@H]1[C@@H](C)C[C@H](C=C(C)C)OC(C)=O 2356769870 PKZDHQQHMWMSHL-NNNCCGCYSA-N 420.546 4.686 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4043243 AUCQBQVOULQCDH-TZIWHRDSSA-N 417.912 4.553 0 1 HJAF COc1ccc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)c(OC)c1 4239289 WMRZCRRGWQURAJ-UHFFFAOYSA-N 415.449 4.655 0 1 HJAF CCCc1ccnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861598 NKQRDERURIEUGV-UHFFFAOYSA-N 409.486 4.558 0 1 HJAF O=S(=O)(NCc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580817 WVEFZNREHOXMGR-UHFFFAOYSA-N 422.837 4.554 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(F)c3)CC[C@@H]12 26965262 POHRSBLYZIRFBO-FKHIRMOZSA-N 410.533 4.678 0 1 HJAF Cc1ccc(Oc2nc(N)c3c(C)nn(-c4cc(Cl)cc(Cl)c4)c3n2)cn1 27900666 ATAHKZNDHGARKM-UHFFFAOYSA-N 401.257 4.509 0 1 HJAF CCCCCCN1CCC(N2C[C@@H](c3ccnc4ccc(OC)cc34)OC2=O)CC1 28893454 PSSYDOSVEYFXCT-QHCPKHFHSA-N 411.546 4.781 0 1 HJAF Nc1ccccc1NC(=O)CCCCCCNC(=O)c1ccc(-c2ccccc2)nc1 29132994 RPWGAGSAMOSCDJ-UHFFFAOYSA-N 416.525 4.650 0 1 HJAF COc1cccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 36189247 FMEUWASIYBNIKU-JEWPQQIOSA-N 422.569 4.547 0 1 HJAF CC(C)[C@@H](C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)ccn1 40954777 WWSBAAXRYHTMOX-CQSZACIVSA-N 400.523 4.819 0 1 HJAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccc2Br)c2ccccc12 45349161 YFXUJCOTAORVSF-UHFFFAOYSA-N 420.266 4.609 0 1 HJAF O=C1C(=O)N(Cc2ccc(Oc3ccccn3)cc2)c2ccc(OC(F)(F)F)cc21 64540452 NFOKHFBCWXGYNA-UHFFFAOYSA-N 414.339 4.502 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1 82179222 OANUGAHCWGFIRC-SFHVURJKSA-N 405.527 4.654 0 1 HJAF O=C(O)C[C@@H]1O[C@H](c2cccc3c2OCCO3)c2cc(Cl)ccc2-n2cccc21 84687298 NRHOEVJTGYGNPI-PZJWPPBQSA-N 411.841 4.537 0 1 HJAF COc1cc(O)c([C@@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc(C)cc2)c(OC)c1 95582277 ROYUVWSZRPLDIA-UEXGIBASSA-N 411.542 4.744 0 1 HJAF COc1cc2c(cc1OC)[C@H](COc1ccccc1)N(C(=O)c1ccccc1)CC2 96906505 PGKNSUIDKCUXMH-QFIPXVFZSA-N 403.478 4.522 0 1 HJAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=S)Nc3ccccc3)CC1)C2 103275930 JJVPUCCOJDVVPS-GOSISDBHSA-N 424.566 4.558 0 1 HJAF C=CC(=O)Nc1cccc(-c2csc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 144003785 RKGMGDXGZDVJJE-LJQANCHMSA-N 416.506 4.628 0 1 HJAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)c(F)c3)o2)[C@H](C)O)c(C)c1Cl 146561559 NCNNWTVGYGWMMS-DYZYQPBXSA-N 402.813 4.628 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167771228 OTYYFHOYBHWRFW-KSSFIOAISA-N 423.538 4.640 0 1 HJAF O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168978742 GUKSVDQGXPESAC-IQGASKDCSA-N 410.602 4.666 0 1 HJAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CO)C[C@@H]21 169320575 LOLVHYOCRQVNRM-ONCXSQPRSA-N 417.590 4.808 0 1 HJAF CCc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586962377 WUVCFLZYTLREOP-YHYVQYDKSA-N 409.555 4.820 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587002874 FBGOCQVXRQXWAN-UHFFFAOYSA-N 419.300 4.841 0 1 HJAF O=C(Nc1nc(Cc2nc3ccc(Br)cc3[nH]2)cs1)c1cccs1 587019607 PFTKHRVEHXQXAA-UHFFFAOYSA-N 419.329 4.687 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1OC 587064324 JBSMKSQVFBPPDK-UHFFFAOYSA-N 412.829 4.851 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079580 DRYBXHGWQIBOBR-OAHLLOKOSA-N 421.678 4.832 0 1 HJAF Fc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)nc1Br 587156205 ZHXFQTNBPBNCHF-UHFFFAOYSA-N 411.103 4.576 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587424124 XCMAELIMHAZXQI-WNSKOXEYSA-N 422.820 4.557 0 1 HJAF O=C(O)COc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525169 SRUXMIVCDWVTAV-JOCHJYFZSA-N 402.446 4.889 0 1 HJAF CSc1ccc([C@]2(c3[nH]c(O)nc3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533773 VLIDMXOZKREUAE-DEOSSOPVSA-N 420.534 4.933 0 1 HJAF COc1ccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587587668 HHBRATJSHYLYEQ-ZJSXRUAMSA-N 401.418 4.759 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCOCC1 587605738 ATCHWRUVFPWNSK-WIOPSUGQSA-N 402.446 4.676 0 1 HJAF Nc1sccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612107 IWEQDXZCPJETHG-GBXCKJPGSA-N 415.470 4.941 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3)no2)N1 587695243 JAOQPGADJZVIRC-JDNHERCYSA-N 422.685 4.915 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2C(F)(F)F)N1 587709774 CMSSMJONIQZSTA-JDNHERCYSA-N 403.217 4.800 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1 587725053 MSPBSERFZKGKNS-NSPYISDASA-N 404.258 4.537 0 1 HJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587793227 QWXUINWFUWNNPS-XTZNXHDOSA-N 404.283 4.544 0 1 HJAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cc(Cl)ccc1Cl 653822839 QLEDYEJPSHBLQB-UHFFFAOYSA-N 421.309 4.685 0 1 HJAF FC(F)(F)c1cccc2c1[C@H](c1ccc3c(Cl)n[nH]c3c1)NCC21CCOCC1 962955318 KWJBCWFBQCMFLH-SFHVURJKSA-N 421.850 4.976 0 1 HJAF COc1ccc2ccc(OC)c([C@@H]3NCCc4cnc5c(OC)cccc5c43)c2c1 963028029 BIACSJSEZBCHRN-RUZDIDTESA-N 400.478 4.649 0 1 HJAF COc1cccc2cc3c(nc12)[C@]1(CN(Cc2ccccc2)[C@H](C)[C@H](C)[C@H]1C)NCC3 963045444 FQJOTAGDOARLGV-MMCDXOEFSA-N 415.581 4.761 0 1 HJAF COc1ccc(Cl)c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963173976 AENYKCIPVGSLJG-BBRMVZONSA-N 420.214 4.709 0 1 HJAF C[C@]1([C@H]2CC3CCC2CC3)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189820 VXVFBRMKSOWUOG-CLKBEUTHSA-N 401.856 4.999 0 1 HJAF CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12c1cccc(Br)c1CCN2C 963290726 XUJNWAFHWPXCLA-VFNWGFHPSA-N 423.395 4.799 0 1 HJAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)c2cnccc21 1772581444 DZWXDHISSYUBSB-UHFFFAOYSA-N 416.456 4.564 0 1 HJAF Cc1nnc([C@H](CC(=O)O)c2cc(F)cc(-c3ccccc3OC(F)(F)F)c2)o1 1772622946 JLCUJLISQIMCHH-OAHLLOKOSA-N 410.323 4.689 0 1 HJAF FC(F)(F)c1ccc2nc([C@H]3[C@H]4c5cc(Oc6ccncn6)ccc5O[C@H]43)[nH]c2c1 1772629645 GBKYUTIMIIUUJY-CEXWTWQISA-N 410.355 4.806 0 1 HJAF CCCCCCn1c(Cn2cnc3c(N4CCCCC4)ncnc32)nc2ccccc21 1857642605 WRDGZYYEXQXMLY-UHFFFAOYSA-N 417.561 4.795 0 1 HJAF CC(C)Cc1ccc2ncccc2c1NS(=O)(=O)c1ccc(Br)cc1 1857766666 XWHPCQZVPAVUOO-UHFFFAOYSA-N 419.344 4.997 0 1 HJAF CC(=O)c1ccc2oc3c(c2c1)[C@H](C(=O)c1ccc(O)c(C(C)=O)c1)[C@@H](C)C[C@]3(C)O 2356672427 ISZNBGSYLBIBDP-XAGDYEFSSA-N 420.461 4.757 0 1 HJAF CCCCCc1cc2c(c(O)c1C(=O)O)[C@H]1C=C(COC(C)=O)CC[C@@H]1C(C)(C)O2 2356776601 VVGKJYWKBQPUEW-ROUUACIJSA-N 416.514 4.977 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](O)[C@]2(C(N)=O)CC(=O)O[C@H]12 2356792237 JMHANOYCULWORK-QQKQFIJSSA-N 415.574 4.664 0 1 HJAF C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 866922 SDIQZUPBYGTTRC-LOWVWBTDSA-N 416.831 4.804 0 1 HJAF CCOc1ccc(C2=C3C(=NCCN2)C(=O)N(c2ccccc2)[C@H]3c2ccccc2)cc1 1104750 JPRFBCXAQWPBKS-SANMLTNESA-N 423.516 4.629 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OCC 4055242 RSWXCADRIMFGBY-FPOVZHCZSA-N 400.906 4.747 0 1 HJAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1 6783279 NZCSCNOUWHUDLO-SFTDATJTSA-N 405.523 4.719 0 1 HJAF O=C(Nc1nccs1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605295 BJBBVMIHYYWZMM-GDLZYMKVSA-N 419.531 4.688 0 1 HJAF CCCCOc1ccc(CNc2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)cc1 15669018 HEKNEXAIISAYCW-UHFFFAOYSA-N 417.513 4.520 0 1 HJAF O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 40974632 YMZOTDNYVLHYOF-UHFFFAOYSA-N 423.856 4.689 0 1 HJAF COc1ccc(NC(=O)Nc2ncnc3c2sc(=S)n3-c2ccccc2)cc1 45290048 VNRNMVZKLWIETO-UHFFFAOYSA-N 409.496 4.864 0 1 HJAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(OC(F)(F)F)c3)C[C@H]1C=N2 49803467 UMPPSJRBTGRZTO-AWEZNQCLSA-N 418.371 4.574 0 1 HJAF CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1 82066226 JRJATOXNBGBWKO-UHFFFAOYSA-N 423.517 4.530 0 1 HJAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3C)cc12 96908224 BRARCMIUSRQKHO-UHFFFAOYSA-N 420.557 4.724 0 1 HJAF Cc1c(O)c(-c2c(O)c(C)c3c(c2O)CO[C@@H](C)[C@@H]3C)c(O)c2c1[C@H](C)[C@@H](C)OC2 103184386 QQSDXJQCNPKBHF-IOQCUFBNSA-N 414.498 4.837 0 1 HJAF Cc1cc(Cl)ccc1NC(=O)c1cccc(Br)c1C(=O)NC(C)C 103286687 HFHRPBGKXBNKII-UHFFFAOYSA-N 409.711 4.801 0 1 HJAF Oc1c2nc3ccc(Cl)cc3c-2ncn1CCN1CCC(Cc2ccccc2)CC1 103904199 TUKUNHFEGQBWCP-UHFFFAOYSA-N 420.944 4.850 0 1 HJAF CCn1c(O)c2n(c1=O)[C@@H](c1ccc(Cl)c(Cl)c1)c1[nH]c3ccccc3c1C2 169724425 PGZAFOBSXFAOHT-IBGZPJMESA-N 414.292 4.705 0 1 HJAF CC(=O)C1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1 202670372 PBSFBIPAXCUNDU-UHFFFAOYSA-N 412.493 4.800 0 1 HJAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 253640367 ZVUBOJJCNXGQFS-AFXVXQJMSA-N 412.574 4.869 0 1 HJAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 299883196 QYANJGUVPLLCBQ-HPIAFPORSA-N 422.569 4.769 0 1 HJAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@H]([C@]3(C)CCCC[C@H]3C(=O)O)CC[C@]12C 504537181 BWPVHESSENIYDR-QLUYKZFPSA-N 422.562 4.912 0 1 HJAF biogenic COC(=O)c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cn1 587141584 VSEUVURCFOKKAW-UHFFFAOYSA-N 411.433 4.982 0 1 HJAF COC(=O)c1ccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2c1OC 587158260 BFMSLKYBCSDENU-UHFFFAOYSA-N 420.440 4.764 0 1 HJAF O=C1CC=C(c2nc3ccc(Oc4ccccc4)cc3[nH]2)NN1Cc1ccc(F)cc1 587163849 LYTMECRLDLXPAE-UHFFFAOYSA-N 414.440 4.772 0 1 HJAF CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc1C 587347382 BCJNWQBKJMBMEP-ZJSXRUAMSA-N 424.424 4.884 0 1 HJAF CCOC(=O)[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363616 RFRXWTBSNMPREO-OAQYLSRUSA-N 403.434 4.892 0 1 HJAF O=C1c2ccc(O)cc2OC(c2nccs2)(c2nccs2)[C@@H]1c1ccc(F)cc1 587371316 BWRJKRWKEGTIJO-QGZVFWFLSA-N 424.478 4.747 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)Nc1ccccc1 587391393 SWGQWUIWHWBIEZ-NRFANRHFSA-N 418.449 4.903 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)O2 587391921 ZXLKFQVLUFETKI-OSPHWJPCSA-N 418.493 4.542 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)OC(C)C)c3ccccc13)CC2=O 587476197 QFMCZFRJUULIST-HSZRJFAPSA-N 421.493 4.958 0 1 HJAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528477 ZVFLZTFXQDTFOO-OAQYLSRUSA-N 419.477 4.939 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2F)nc1 587567675 IRXYEKIYBZIJOS-OFNKIYASSA-N 414.392 4.691 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CN1CCCC1 587592074 HMZHMGGSPPNVAX-RDGATRHJSA-N 401.462 4.691 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2c1oc1ccccc12 587662291 YOYYWPCQCJZCPU-UHFFFAOYSA-N 408.392 4.881 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(F)cc2)N1 587727210 BAMXGWSHOWCWFF-YUNKPMOVSA-N 424.285 4.760 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587743817 PUUJPGYAJDVOSB-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF CC[C@]1(C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1 587747723 RMGZPWGSAKQQJK-WNVHLOTPSA-N 419.338 4.899 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(=O)OC(C)(C)C)N1 587753813 JTKOZLWWEUJSKR-APPDUMDISA-N 409.299 4.797 0 1 HJAF C[C@H]1CCN(Cc2ccccc2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587770775 UJNMWWAVXLODDG-DMPWYTOCSA-N 417.366 4.860 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cccs2)N1 587849551 AUCKNQZWZISUQM-YPMLDQLKSA-N 406.324 4.674 0 1 HJAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587852505 LWQCEEAJZHMYFS-PWCHPLFNSA-N 420.145 4.739 0 1 HJAF O=C(O)c1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2c1O 653726169 PTJQYBHWGDXXKK-UHFFFAOYSA-N 419.458 4.711 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(CC(=O)C(C)(C)C)c1ccc(C)cc1 963034114 LMDHCWVXRKGPKG-SANMLTNESA-N 402.538 4.946 0 1 HJAF CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](c3ccc(F)cn3)CC2)C1 1857541502 LSJLEOXCPDISPN-SHTZXODSSA-N 411.912 4.842 0 1 HJAF COc1cc(OC)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1CN[C@@H](C)C2 2356559611 FSHBEGRPPCFVBJ-HNNXBMFYSA-N 407.510 4.884 0 1 HJAF C[C@@H]1CC[C@]23C[C@]2(C)CCC[C@@H]3[C@]1(C)CCC1=CC[C@](O)([C@H](CO)CC(=O)O)OC1 2356656175 RFKUHBLGCIYMDR-NCFGQWMWSA-N 420.590 4.518 0 1 HJAF CC(C)N1C[C@]2(CC(c3ccccc3F)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1 61920892 RMLNFIMPKUGQHG-RUZDIDTESA-N 423.532 4.768 0 3 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@@H](N4CCCCC4)C[C@H]32)C1 4029151 QZQARKHEFRUGSK-VQVKQOOJSA-N 415.618 4.994 0 1 HJAF biogenic COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4049635 MICIAYUIMHMVBK-UKILVPOCSA-N 414.505 4.598 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OCC 4055243 RSWXCADRIMFGBY-CTNGQTDRSA-N 400.906 4.747 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212217 WZWCXOCRBVUFLQ-OFAXGOBFSA-N 401.595 4.890 0 1 HJAF C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 6522436 AXOHLJFITRSTNR-BEFAXECRSA-N 412.530 4.773 0 1 HJAF CCCN(CC1CC1)c1cc(C(C)(C)c2c(OC)cc(OC)cc2OC)nc(C)n1 28352710 FMXNXPQKYWOQNW-UHFFFAOYSA-N 413.562 4.763 0 1 HJAF Clc1ccccc1[C@@H]1CO[C@](Cn2ccnc2)(c2ccc(Br)cc2)O1 28768768 FJJPPVXKHLHLHP-OALUTQOASA-N 419.706 4.940 0 1 HJAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 28890142 HLWIAHUAIKIPCW-UHFFFAOYSA-N 410.783 4.915 0 1 HJAF COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 34114026 QWQYPPPWEDOAHA-IYBDPMFKSA-N 418.530 4.796 0 1 HJAF biogenic CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(C)c2)n1)c1cccnc1 38359181 SPQPCSMOQQXHMU-HXUWFJFHSA-N 404.518 4.942 0 1 HJAF CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NCCCO)c2)[nH]1 40411227 DBHKCDGUVYYIBZ-UHFFFAOYSA-N 408.449 4.674 0 1 HJAF CC(C)C[C@H](Nc1ccnc(NCC2CCCCC2)n1)C(=O)NCCc1ccccc1 45194316 BRZLEVFZGOTASC-QFIPXVFZSA-N 423.605 4.654 0 1 HJAF CCn1c(S)nnc1-c1ccc(Nc2ccccc2-c2n[nH]c(=S)n2CC)cc1 64553025 ALESNXZNXAAQLF-UHFFFAOYSA-N 423.571 4.938 0 1 HJAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CNCC2 64559692 VAOAZJQELKMACJ-UHFFFAOYSA-N 423.438 4.661 0 1 HJAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]n1 72123310 PNCZFANZRYYMAD-UHFFFAOYSA-N 404.253 4.813 0 1 HJAF CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2F)n1 82153142 VFUQHMVYBMIAEV-UHFFFAOYSA-N 406.505 4.790 0 1 HJAF CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3OC)ccnc21 84709647 RHURQGMRFGKHMD-KRWDZBQOSA-N 413.905 4.799 0 1 HJAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 95596338 MOYXHNQRCNQPHD-IRXDYDNUSA-N 419.506 4.640 0 1 HJAF CC1=Nc2ncnn2[C@@H](c2ccc(Br)cc2)/C1=C(\O)OC1CCCCC1 104115875 YCLPVIKEISYMFO-HVESIFNPSA-N 417.307 4.855 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccc(C)nc3)cc2)c2ccc(C)cc2n1 145185106 HWPXDAIDFOHAOQ-UHFFFAOYSA-N 412.497 4.548 0 1 HJAF Clc1cccc(N2CCN(CCCCOc3cccn4nccc34)CC2)c1Cl 149900649 WUVBFCGMNNHUHJ-UHFFFAOYSA-N 419.356 4.622 0 1 HJAF C[C@H]1CC2=C(C1=O)[C@H](c1ccc(C#N)cc1)NC(=O)N2c1cccc(C(F)(F)F)c1 218638473 XVAKYHYZPKKXPJ-BUXKBTBVSA-N 411.383 4.711 0 1 HJAF O=[S@@](CCCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1 586958681 HDUFXTSEFUMLGJ-QHCPKHFHSA-N 415.715 4.858 0 1 HJAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Cl 587002106 JJYCQAIFUOPYRM-ZDUSSCGKSA-N 419.710 4.711 0 1 HJAF CC(C)OC(=O)C1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC(F)(F)C1 587131505 LFOMCVJFASIJGT-UHFFFAOYSA-N 400.425 4.760 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](O)c1ccccc1)[C@@H](C2)C3=O 587417678 FDZINNRCVOJMMC-IEXUWNMDSA-N 406.865 4.725 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1O 587540932 SAAGCTFKODAZRT-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF C[C@@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554039 CKWGQOZKUWNWSN-URXFXBBRSA-N 416.408 4.594 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587571495 LHIBQOMIIANBEN-IFPOBUGQSA-N 401.462 4.633 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nn(-c3ccccc3)cc12 587583424 WCBJGAITAQCQJQ-BVAGGSTKSA-N 424.456 4.771 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCCC2)c1 587597108 UPUWJQXEOPEOOM-DHLKQENFSA-N 401.462 4.691 0 1 HJAF CCN(CC)c1ccc(-c2nn(Cc3cccs3)c(=O)c3ccccc23)c(O)c1 587670581 PEXIJCAJQSERFT-UHFFFAOYSA-N 405.523 4.725 0 1 HJAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl 587692111 JUKZCTJUYUJXGM-YYSFKGJASA-N 413.718 4.630 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1 587695180 IHXPGBNOXYLQKZ-LZVRBXCZSA-N 412.686 4.508 0 1 HJAF CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587712914 ANJBDIFQADHICF-DGIBIBHMSA-N 410.258 4.613 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N(C)C2CC2)N1 587733752 SIRIHAMAAFRHBS-GIPWTMENSA-N 407.302 4.950 0 1 HJAF CC[C@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1 587745099 JNNJUQWNAVCGHO-WFGDNEMVSA-N 419.338 4.899 0 1 HJAF CC(=O)n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587755955 ITOOWEQKZUBVJA-YBTHPKLGSA-N 401.279 4.827 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3=O)cc2)N1 587769178 XSSMXQPKNQHMPE-YEJXKQKISA-N 417.322 4.513 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587773539 ZKMDJSLKRYUDJD-XMHCIUCPSA-N 424.317 4.994 0 1 HJAF Cc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587775425 QXLMMQPVANZMDY-ZUOKHONESA-N 412.306 4.977 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587793332 DJBYQEVTCFHCIO-IAMHBRQHSA-N 412.343 4.851 0 1 HJAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 587809355 RENPNMGAEGJTAQ-UAYFEMCXSA-N 424.354 4.873 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cc1Br 587871273 RPCDUFLYLMOJAL-UHFFFAOYSA-N 407.214 4.678 0 1 HJAF Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C 653688518 GLISUIAZBJFVAS-UHFFFAOYSA-N 415.581 4.789 0 1 HJAF COc1cc([C@H]2NCCc3c2sc(C)c3C)ccc1OCc1cccc(C(=O)O)c1 963029120 RBCJLUQJTJYBLM-JOCHJYFZSA-N 423.534 4.886 0 1 HJAF C[C@@]1(c2ccc(O)cc2Cl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186297 SFBINFCBCJOBTP-GUYCJALGSA-N 420.214 4.580 0 1 HJAF COc1c(OCCCCN2CCCCC2)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772605601 QMUVTFCBPGBYGC-UHFFFAOYSA-N 423.509 4.819 0 1 HJAF COc1ccc(-c2cn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)nn2)cc1 1857758416 PYECRZWNIFXUNJ-UHFFFAOYSA-N 407.477 4.855 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@@]23CCC[C@H](C)C3)[nH]c2ccc(Cl)cc12 1911577327 XZBWAFAXNGHCTI-HGFQGUBDSA-N 405.951 4.645 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055279 CJUAMKBJDCAIEO-GGAORHGYSA-N 422.887 4.930 0 1 HJAF CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]ccc3c2C1 13741747 GMWZSACWHHMURD-HXUWFJFHSA-N 423.601 4.693 0 1 HJAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)c(OCC(=O)O)c1 13782697 QRYFCBVHXLXWQL-UMADGWCESA-N 411.498 4.562 0 1 HJAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N3CCCC[C@@H]3CCO)nc21 26467876 FXSJIIIPGGRTNH-QGZVFWFLSA-N 414.941 4.546 0 1 HJAF C(/C=C/c1cc2cc(C3=NCCN3)ccc2o1)=C\c1cc2cc(C3=NCCN3)ccc2o1 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CCOc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)COC[C@]5(C)[C@H]4CC[C@]23C)c1 169231439 CXAUCSWTAQTLRI-HTZAZEJMSA-N 424.585 4.573 0 1 HJAF O=C1c2cc(-c3ccc(CC(F)(F)F)cc3)ccc2OCCN1Cc1ccccn1 206204066 YBOFEDYGEOYOPH-UHFFFAOYSA-N 412.411 4.888 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 586962719 YQTVLQQQIWHJIQ-XWIAVFTESA-N 417.481 4.536 0 1 HJAF COC(=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2n1 587141586 VTJDPVRNFBPGNI-UHFFFAOYSA-N 411.433 4.982 0 1 HJAF Cc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br 587196325 QPTLPBAGUGLEAN-CYBMUJFWSA-N 424.339 4.550 0 1 HJAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(O)c1OC 587350786 LLZUVJDBUYKFAQ-URXFXBBRSA-N 424.424 4.528 0 1 HJAF C[C@@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352340 WYFYNIZECFVIAH-UPVQGACJSA-N 406.409 4.540 0 1 HJAF COc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354259 ANVXBNJTXVSIAZ-XUZZJYLKSA-N 406.409 4.577 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C5OCCO5)cc4)cc1)[C@@H](C2)C3=O 587455733 PSNYRAVAODUFTH-OFVILXPXSA-N 414.457 4.896 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1N1CCOCC1)CC2=O 587461813 UAIKNEGIUGAWJM-FQEVSTJZSA-N 401.890 4.541 0 1 HJAF Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 587575752 DAJUJDDTGDOUOW-OZXSUGGESA-N 423.424 4.986 0 1 HJAF Cc1ccccc1C1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 587610124 PEAFWLYFMDRSKT-RDGATRHJSA-N 416.473 4.779 0 1 HJAF Cc1nc(-c2ccncc2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612185 KVQKNRSXIAHJPI-NQIIRXRSSA-N 416.458 4.922 0 1 HJAF CC1(C)OCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587614163 BPCXHRIFVBVGFA-BWKNWUBXSA-N 418.445 4.914 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1 587737788 ZXDIUQCXZJFJQI-BIBXISHDSA-N 418.285 4.751 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587793336 DJBYQEVTCFHCIO-ZQGRQUNCSA-N 412.343 4.851 0 1 HJAF Cc1cccc([C@@]2(c3cnc[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587794231 UIHCQGRIYACDDF-ASSNKEHSSA-N 414.322 4.754 0 1 HJAF CC(=O)Oc1ccc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814102 XUDLAYDNKJHGSB-LRTDBIEQSA-N 420.322 4.896 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@]2(CCCOc3c2ccc2ccccc32)N1)C(F)(F)F 962730670 OSQMYDPZBXKUOC-OFNKIYASSA-N 411.423 4.902 0 1 HJAF Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)cc1F 1772650775 LSSMJUKBUHPEHG-UHFFFAOYSA-N 416.493 4.891 0 1 HJAF O=C1Nc2cc(Cl)ccc2C1=CNCCCNc1ccnc2cc(Cl)ccc12 1857622587 RSDNGBKVWWZCMV-UHFFFAOYSA-N 413.308 4.926 0 1 HJAF O=C(NC12CC(C3(C(=O)Nc4ccc(F)cc4)CCC3)(C1)C2)c1cccc(Cl)c1 1911582816 ZVAKWJOAYFEKID-UHFFFAOYSA-N 412.892 4.941 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356497667 VCWDOHJFKGOMRJ-DTQNVOOOSA-N 402.575 4.983 0 1 HJAF CN[C@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35C=C[C@]12C 2356499226 YNGZPMBCHZYUHN-IJHBIDDNSA-N 414.678 4.710 0 1 HJAF Cc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)sc2=O)cc1 61898646 JTSTTZCXGRYMGW-UHFFFAOYSA-N 420.456 4.524 0 3 HJAF COc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2OCc2ccccc2)cc1 61959089 ZWRPMFNBQMCZQN-AOYPEHQESA-N 401.506 4.627 0 3 HJAF C[C@H]1CN(c2ccnc3cc(Cl)ccc23)CCN1C(=O)c1ccc(Cl)cc1 72138556 GLPPUGLLAYNGBF-AWEZNQCLSA-N 400.309 4.893 0 3 HJAF O=C1Nc2ccc(O)c3c2[C@@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3 13473725 NPUZNBQJTXDJJT-AREMUKBSSA-N 402.538 4.878 0 1 HJAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Oc1ccc(NC(C)=O)cc1 40465251 KNJBSXRBVYTMQP-OAHLLOKOSA-N 408.502 4.533 0 1 HJAF O=c1cc(NCCCNCc2cc(C(F)(F)F)ccc2Cl)[nH]c2ccccc12 45168179 OQTNGPCBFHJSLQ-UHFFFAOYSA-N 409.839 4.792 0 1 HJAF CN(CCCN(C)c1cc(NC(=O)c2ccc(F)cc2)ccn1)Cc1cccc(F)c1 45324300 OMFFNSQMDDVCAG-UHFFFAOYSA-N 424.495 4.570 0 1 HJAF CN(C)C(=O)c1ccc(-c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)cc1 82083334 USOFALWNSZPIJD-UHFFFAOYSA-N 410.399 4.784 0 1 HJAF Cc1cc(/N=N/Cc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1 107845114 VOSFRUNKEZICQW-BSYVCWPDSA-N 401.879 4.523 0 1 HJAF COc1ccc([C@@H]2CC3(N4CCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 137352689 HWQISLZWCOZLRA-BQXZLMIDSA-N 407.554 4.580 0 1 HJAF CC(C)(C)c1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167922019 BXOMZRSQQUMQIJ-UHFFFAOYSA-N 415.537 4.789 0 1 HJAF COc1ccc(Oc2cccc([C@H]3NC(=S)N=C4c5ccccc5C(=O)[C@H]43)c2)cc1 169726104 ZZEAHNXOTMHWFC-LEWJYISDSA-N 414.486 4.719 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255243888 NEMWYOKGHGSVSC-HUWNABEFSA-N 415.662 4.563 0 1 HJAF C[C@H](C[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](C)[C@H]3O)C(=O)O 299848325 LPHVFIFMGROHAK-NGQKRJCXSA-N 420.634 4.970 0 1 HJAF Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1COc1ccc(Cl)cc1 587076867 XQFGHRIRPZBJAE-UHFFFAOYSA-N 411.845 4.920 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082151 LVDRPAAEJZLXBD-UHFFFAOYSA-N 417.252 4.556 0 1 HJAF CCn1ncc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587330240 NEXSWXDMQFOVQR-KNQAVFIVSA-N 416.399 4.576 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCCCC3)c(Cl)c1)O2 587372957 CBKMMNXZHYVJEW-JOCHJYFZSA-N 414.933 4.802 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4SC[C@@H]1C)[C@@H](C2)C3=O 587451731 KEWJFRJJJFXLNY-KAFSRPFYSA-N 417.324 4.842 0 1 HJAF CCOc1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587587754 HNVDULPNFUEMDD-XUZZJYLKSA-N 401.418 4.975 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602341 JIZVBYOEAWIUNN-RCZVLFRGSA-N 416.429 4.674 0 1 HJAF C/C(=C\[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587618677 PRCMVVXDJCFFFQ-HRKNJWBZSA-N 407.491 4.776 0 1 HJAF CCOc1ccc(-c2nn(Cc3cccc(O)c3)c(=O)c3ccccc23)cc1OCC 587668826 FVEBPBMAERIPCC-UHFFFAOYSA-N 416.477 4.615 0 1 HJAF COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(OC)c1O 587785979 QRHQDFIKYHMBEZ-UHFFFAOYSA-N 417.181 4.734 0 1 HJAF Cc1noc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587789909 AUTBMWGEUKMLMS-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC=C2OCc2ccccc2)N1 587839159 QSDYGRQFGIYXNF-SZNDQCEHSA-N 416.290 4.920 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccncc2)no1 587859047 BESLFQZBVGKZDI-UHFFFAOYSA-N 402.241 4.690 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccnc1SC 587867161 WPCIILPZHJQMFV-UHFFFAOYSA-N 407.417 4.773 0 1 HJAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(NC(=O)OCc3ccccc3)c2)cc1 653719499 FFYJSQJRMOFPKF-FCHUYYIVSA-N 401.466 4.502 0 1 HJAF OCCOc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(Br)c1 962668546 QDJFULJFWPPCKD-HSZRJFAPSA-N 424.338 4.722 0 1 HJAF Brc1cnc2[nH]cc([C@H]3c4ccsc4CCN3Cc3ccco3)c2n1 962705121 KAYRLIQZMSZMHI-QGZVFWFLSA-N 415.316 4.523 0 1 HJAF COc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)ccc1OCc1cccc(Cl)c1 963118320 BRWROVABLQPWRX-QHCPKHFHSA-N 423.896 4.861 0 1 HJAF Cc1ccc(/N=c2/c3c4c(ccc3cc3n2CCc2cc5c(cc2-3)OCO5)OCO4)cc1 1857585008 PFVPNWLFFSBZHI-RQZHXJHFSA-N 424.456 4.863 0 1 HJAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1CC(=O)[C@H]3CC[C@@]12C3 2356340014 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1 HJAF endogenous,in-man Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26577673 JDXOVLZRJUSGJT-IBGZPJMESA-N 414.527 4.546 0 1 HJAF Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)CS2)cc1 73296493 UIDCZJGQYLGZEO-KRWDZBQOSA-N 414.328 4.538 0 1 HJAF CN(c1ccccc1)c1nnc([C@H](O)c2cccc(OCc3ccccc3)c2)s1 82078898 BPJQOBGPIKUELQ-OAQYLSRUSA-N 403.507 4.967 0 1 HJAF CCC[C@@H](CCc1ccccc1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 95593658 RNPAXTSSHRVUJY-GOTSBHOMSA-N 421.537 4.595 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO 95877438 KNXXJNTZRSGYOL-TUSQITKMSA-N 416.496 4.507 0 1 HJAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3ccccc3F)n2)C1 96177703 MKTNJXWGPMJXHS-SCTDSRPQSA-N 403.501 4.939 0 1 HJAF COc1cccc(-c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)c1 140123013 AWVJWAFRRPJVKC-UHFFFAOYSA-N 402.885 4.958 0 1 HJAF CC(C)N(CC[C@](CCN1[C@@H](C)CCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C 145384156 ONEJDEZBRATPQC-TYBLODHISA-N 419.629 4.711 0 1 HJAF O=C(OC1C2CC3CC(C2)CC1C3)N1CC[C@H](c2nc(-c3ccncc3)cs2)C1 147310905 GHQIACXVGOKCJB-MFZIKWHSSA-N 409.555 4.956 0 1 HJAF Cc1nc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1 150173851 FELVKKUJIGGCSX-UHFFFAOYSA-N 419.403 4.956 0 1 HJAF CCN(CC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc12 169333961 LVXJAXATTPKNMT-QFIPXVFZSA-N 414.933 4.948 0 1 HJAF O=C(c1ccccc1)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586996285 DAPDLYPNNAWXOG-HXUWFJFHSA-N 407.267 4.638 0 1 HJAF CC(C)(C)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 586998625 MPMACSRIQPLMGA-DAXSKMNVSA-N 400.276 4.917 0 1 HJAF Nc1nc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cs1 587021697 PIEMMJINZKTDME-UHFFFAOYSA-N 411.359 4.985 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(O)cc4[nH]3)nc2n1 587115054 LNXLRWJLWZKXOH-UHFFFAOYSA-N 407.421 4.734 0 1 HJAF O=C1CC=C(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 587163385 KZNAGUVCWUGMBX-UHFFFAOYSA-N 424.785 4.652 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587350608 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0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(F)c2)N1 587727078 ABLWFXDLWHNDRH-WYRIXSBYSA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587756890 SEEYIAKBJPZHNC-RISCZKNCSA-N 415.347 4.857 0 1 HJAF CCCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587835248 ONAZOXOWPYXDCZ-LRTDBIEQSA-N 420.322 4.937 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(F)cc1 587865355 WKEOBAWHWPURSQ-UHFFFAOYSA-N 407.367 4.859 0 1 HJAF COc1ccc2c(c1)[C@H](c1cc(Br)cc3c1OCC3)N(C(C)C)CC2 962096563 YMTQJTURTJPNTL-HXUWFJFHSA-N 402.332 4.749 0 1 HJAF COC(=O)C[C@@H]1CCCCC[C@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962630000 DAPZBRHLJXJFRI-WFIHMLKPSA-N 418.581 4.772 0 1 HJAF COc1ccccc1[C@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962635486 RTYBWMQNOJMGOU-UPCLLVRISA-N 409.551 4.942 0 1 HJAF COc1ccc(F)cc1-c1ccc(OC)c([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772645640 YGFPKCLNJKIVAK-QGZVFWFLSA-N 401.459 4.881 0 1 HJAF CCOc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](CF)OCC3)cc1C 1772657779 HGIDQQHLEXVLGL-HXUWFJFHSA-N 409.505 4.847 0 1 HJAF COCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 1857543208 DQZXDHIRUHBXOB-UHFFFAOYSA-N 423.822 4.621 0 1 HJAF Cc1cc(C)nc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CN(C)C4)CC2)n1 1857551823 JWEDYZPHQBTAIG-QAQDUYKDSA-N 422.964 4.714 0 1 HJAF Fc1ccc(Nc2cc3nc(Nc4ccc(C5CCNCC5)cn4)[nH]c3cn2)cc1F 1857601678 FAPRUXJWIHMOCU-UHFFFAOYSA-N 421.455 4.585 0 1 HJAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N[C@@]12CC[C@@H](C)CN2 2356605537 JXWLYDNHVXFBJA-GWHNFDFHSA-N 412.662 4.860 0 1 HJAF CC(C)=CCCC(C)=CCC[C@]1(C)O[C@@H]2c3ccc(O)cc3OC(=O)[C@@H]2C[C@@H]1O 2356859960 UACDPQZEUCVSKT-SPHCQZIESA-N 400.515 4.981 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3cccc(F)c3)n2c1 95568197 CYQWLUQEVCWBHY-UHFFFAOYSA-N 420.440 4.535 0 3 HJAF CC1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)CC1 4894239 DJCDZNHZUSNINK-ORWMALAUSA-N 410.945 4.775 0 1 HJAF Cc1c(C(=O)NCc2cccnc2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 6780283 MDSNCIRNZLHZDQ-UHFFFAOYSA-N 418.493 4.980 0 1 HJAF Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n([C@H](C)CN(C)C)c2n1 7991842 CSNCETWUHUESMV-QGZVFWFLSA-N 400.530 4.536 0 1 HJAF Cc1ccc(NC(=O)Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1F 8590124 RRTJOXAWUQGLSG-UHFFFAOYSA-N 424.476 4.949 0 1 HJAF COc1ccc(CCCCCNCCOc2cc(F)cc3c2O[C@H](C)CC3)cc1 13780387 UBWLZYQXDRBUDO-GOSISDBHSA-N 401.522 4.929 0 1 HJAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCCC[C@@H](O)CC(=O)O)[C@H]21 13834024 KMKJGDLERVBTLL-PUKJOLFJSA-N 406.563 4.745 0 1 HJAF O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(C(F)(F)F)cc2)[C@H]3O)CCCC1 26386246 VIDSCJVZMUASDE-MGPUTAFESA-N 420.427 4.887 0 1 HJAF Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@@H]2OC(=O)NC2=O)cc1 29314654 BMJSQIFEHACDIX-FQEVSTJZSA-N 422.506 4.655 0 1 HJAF Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)cc3F)nn2)c1 42888538 CBHQVYMUGBBIOW-UHFFFAOYSA-N 405.383 4.750 0 1 HJAF O=C(c1ccccc1N1CCCn2c(ccc2-c2ccccc2)C1=O)N1CCCCC1 64560629 LOYOAJAXYBWHHK-UHFFFAOYSA-N 413.521 4.832 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F 82159585 OMMOUCBZGSCNME-HNNXBMFYSA-N 410.468 4.605 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1 82180327 HVGYXIZWOWMSNS-KRWDZBQOSA-N 405.527 4.654 0 1 HJAF COc1ccc(C(=O)N(CC[C@@H]2CCCN2C)C/C(C)=C/c2ccccc2)c(OC)c1 84604299 KWLFLMLHIOMEHW-YDPLAMGBSA-N 422.569 4.734 0 1 HJAF CCCCCC(=O)Oc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 84632886 OCKCBFQRFKRTLO-UHFFFAOYSA-N 420.485 4.573 0 1 HJAF COc1cc2c(cc1OC)[C@@H](COc1ccccc1)N(C(=O)c1ccccc1)CC2 96906506 PGKNSUIDKCUXMH-JOCHJYFZSA-N 403.478 4.522 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 104007830 KWSXVCIPSPPRPM-VFNWGFHPSA-N 413.489 4.992 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169323806 GLSZMIVCBQXSEA-SMIYNLNTSA-N 402.623 4.725 0 1 HJAF Cc1cc(C)c(C(=O)Nc2cc(Br)cc([C@]3(C)CCSC(N)=N3)c2)o1 169687398 YBFOOYGOQXCPKH-SFHVURJKSA-N 422.348 4.578 0 1 HJAF CS(=O)(=O)c1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218302747 UICQQCSGNXGAAN-QFIPXVFZSA-N 404.491 4.608 0 1 HJAF C/C(=C/COc1ccc2ccc(=O)oc2c1)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 238767045 SOTUFGKJQVSOCT-SILVTKSKSA-N 400.515 4.757 0 1 HJAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1 587160574 DLBNMGPNIJIKGG-UWVGGRQHSA-N 411.072 4.893 0 1 HJAF C[C@@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331362 PKHGTMRANFFTCR-JXFKEZNVSA-N 419.239 4.902 0 1 HJAF COc1cccc2c1C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351938 NPAIANGBTOUWMM-ZCYQVOJMSA-N 404.437 4.827 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccco2)([C@H](O)c2ccco2)[C@H]1c1ccc(F)cc1 587356287 OSJPLQBCBPBNFS-QTJGBDASSA-N 420.392 4.705 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(F)cc1 587386544 ZLNVDOFYUGRLOQ-OAQYLSRUSA-N 421.424 4.651 0 1 HJAF COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401837 YXNPBIXPVRJYQL-RUZDIDTESA-N 417.461 4.686 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc4c(cc3nc1Cl)OCO4)CC2=O 587461921 OECYEAHXYOYZEL-GOSISDBHSA-N 411.841 4.982 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(Br)c1OC)CC2=O 587466370 NIEOFSQAFOSJCI-MRXNPFEDSA-N 409.251 4.961 0 1 HJAF Cc1c(Br)cncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548395 UGMDGXAOPCZJLS-FXAWDEMLSA-N 412.239 4.561 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587582247 YZGXVMSFVKACEP-WIOPSUGQSA-N 417.461 4.758 0 1 HJAF COc1ccc2c(c1)cc([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)n2C 587760619 ZKOQXUJIKUMKEA-GIPWTMENSA-N 403.295 4.712 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O 587772763 WGWHXKVQLNNISQ-PRWKNARSSA-N 401.279 4.585 0 1 HJAF Cc1ncc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)nc1Br 587941571 QBCKDIVNCKDTMQ-UHFFFAOYSA-N 415.074 4.723 0 1 HJAF Brc1cnc2[nH]cc([C@@H]3c4ccsc4CCN3Cc3ccco3)c2n1 962705120 KAYRLIQZMSZMHI-KRWDZBQOSA-N 415.316 4.523 0 1 HJAF CC[C@H](C)c1ccc(-n2cccc2[C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962924149 NKOYXSXNNZKZDT-AVRWGWEMSA-N 401.554 4.928 0 1 HJAF COc1cc([C@H]2NCCc3cnc4c(OC)cccc4c32)ccc1OCCC(C)C 963046825 LEDNOPGADPFLCM-XMMPIXPASA-N 406.526 4.912 0 1 HJAF CCc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(F)c1F 963194696 QQBDSNKERAFEDC-RHSMWYFYSA-N 419.777 4.888 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4C=C[C@H]3[C@@]1(C)CO 2356461232 YQFLJUFXAGSUHT-ALMPKEFISA-N 414.678 4.712 0 1 HJAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@@H]12 2356522508 JRJQERYJSFEBBL-YIISLQOMSA-N 406.563 4.586 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H]1O[C@H]2[C@H](C)[C@H]1C 2356640932 WNZPXAXGHBMGPR-UEOMHXKCSA-N 416.470 4.500 0 1 HJAF CCCCC[C@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(C=O)c2C=C[C@H]1O 2356818586 DUIBJHDVPDDUKP-TZIWHRDSSA-N 410.466 4.799 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356819176 DZQZPPMTZCGVOX-IPZRXEQSSA-N 424.581 4.512 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1 8829392 GYCVNQUWDNNAPW-OAHLLOKOSA-N 417.214 4.822 0 3 HJAF COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3cc4ccccc4o3)C2)c1 13596318 VLPMXCVUZBKTOE-LJQANCHMSA-N 406.526 4.750 0 3 HJAF COc1cc(NC(=O)c2cccc3c(-c4cccnc4)coc23)cc(OC)c1OC 61898497 OSADIVZHROHJGI-UHFFFAOYSA-N 404.422 4.773 0 3 HJAF CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)c1ccccc1 3937619 RKKAABIABTWSCU-UHFFFAOYSA-N 408.405 4.670 0 1 HJAF CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13 5742262 OXRFOFGXNAZNSV-PJHHLLCLSA-N 424.537 4.816 0 1 HJAF biogenic,in-vitro COc1cc(C(=O)O)ccc1C=C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 13475210 UQYWXCQSPCRGNZ-UHFFFAOYSA-N 409.526 4.616 0 1 HJAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1 26269542 QGEFHEBBJFXWMU-DLBZAZTESA-N 415.574 4.861 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)Sc4ccccn4)[C@H]3CC[C@H]12 26396380 IVMOGXVDSLYJFW-JJTHZCNISA-N 424.610 4.956 0 1 HJAF O=Cc1ccc([C@@H]2[C@@H](CC[C@H](O)c3ccccc3)C(=O)N2c2ccc(C=O)cc2)cc1 28101332 KNABAQHDXJTSHY-DSNGMDLFSA-N 413.473 4.530 0 1 HJAF CC1=Cc2ccccc2[C@H]1C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 28568982 RBZUAUQRSLKNMB-VWLOTQADSA-N 400.566 4.673 0 1 HJAF CCc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1 36348760 MIUKSVGYQZKDJT-UHFFFAOYSA-N 404.470 4.752 0 1 HJAF COc1ccc(CCNCCCCCCNCCc2ccccc2Cl)cc1OC 45167044 ARJLCXJHHGYBHY-UHFFFAOYSA-N 419.009 4.882 0 1 HJAF CSc1ccc(N2C(=N)C(=S)N(c3ccc(Br)cc3)C2=O)cc1 69061614 CDLMURQQEAICSW-UHFFFAOYSA-N 406.330 4.922 0 1 HJAF CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(Cl)c4)ncc3c2)ccn1 73197812 REQVMWVHXFIMFC-UHFFFAOYSA-N 405.845 4.574 0 1 HJAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CC[C@H]1CCCN1C 82181811 MSMLBOPTKGAMEI-QGZVFWFLSA-N 412.607 4.888 0 1 HJAF CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 82199013 NOAAYYGMQJWHRR-MBNXQSCSSA-N 414.590 4.526 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](O)C5 85510814 GPOVTJUXVPPEKR-GNQIZWBHSA-N 413.646 4.627 0 1 HJAF biogenic,in-vitro C[C@@](O)(c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1)c1cccc(F)c1 96168097 ZYNQUJFRZMJWDU-XMMPIXPASA-N 402.473 4.641 0 1 HJAF CC1(C)CC(Nc2cccc3ccc(-c4nnc5ccccn45)nc23)CC(C)(C)N1 96174946 DFESSBPVKHYBNQ-UHFFFAOYSA-N 400.530 4.666 0 1 HJAF C[C@@H]1CCCN(C(=O)c2nc(Nc3cc4c(cc3F)OCO4)sc2Cl)[C@@H]1C 96283028 GGKQWFQQUMWVOB-NXEZZACHSA-N 411.886 4.669 0 1 HJAF CCCOc1c2c(c(-c3ccc4c(c3)OCO4)c3cc(OC)c(OC)cc13)C(=O)OC2 98084024 CYYVQMAENXHWFO-UHFFFAOYSA-N 422.433 4.712 0 1 HJAF CN(Cc1cn([C@@H]2CCCC[C@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1 142111746 YHTVARXHWXCZHD-DHIUTWEWSA-N 410.562 4.631 0 1 HJAF Cc1ccc(CN2C(=O)CCc3ccc(OCCCN4CCC(C)CC4)cc32)cc1 169308764 YXRRCGOKLVJPKW-UHFFFAOYSA-N 406.570 4.975 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCC4)nc3F)nc3ccc(O)c1c23 586988329 KAGQQYFNTVUEEI-UHFFFAOYSA-N 411.436 4.953 0 1 HJAF COc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cn1 587005270 QNRRHXPRABEWAI-UHFFFAOYSA-N 414.101 4.541 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1 587219594 OCGFWPWULOYSTE-GOSISDBHSA-N 424.273 4.984 0 1 HJAF CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418861 BIFHMRWPDOBKED-VFNWGFHPSA-N 421.276 4.598 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)CC2=O 587472145 YVIZOCSUZFJEGF-REWPJTCUSA-N 419.477 4.721 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521885 FGFPEFMRCXTUMF-VWLOTQADSA-N 406.478 4.582 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1 587575209 DPCIAZNJMSUFEP-RDGATRHJSA-N 412.445 4.898 0 1 HJAF CC[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598534 BMRDZMAYEYAXAY-XUZZJYLKSA-N 406.434 4.677 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC21CCOCC1 587605790 AWSJCQJEPSKFOE-NVQXNPDNSA-N 414.457 4.602 0 1 HJAF CSc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 587615532 YBEXHZCYUJWBCD-NFBKMPQASA-N 422.458 4.588 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc3c2OCOC3)N1 587698447 OGTKGDGNMNBFHB-XYZCENFISA-N 412.686 4.732 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(C(F)(F)F)N1 587705383 MEFMBRHETPFXBQ-XXFAHNHDSA-N 403.217 4.511 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1 587706522 QNYFOUQEWMFQQJ-FVMDXXJSSA-N 420.200 4.746 0 1 HJAF CCOc1c(OC)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587802443 RZMIFOOZXFLMAF-WLRWDXFRSA-N 424.310 4.628 0 1 HJAF Cc1cc(C)c2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837351 GASYBCPQJFTVAM-BLVKFPJESA-N 416.290 4.935 0 1 HJAF COc1ccc2c(c1)CCC=C2Cc1nc2c(Br)cnc(Cl)c2[nH]1 587935285 RVEYVMJJAAWPJM-UHFFFAOYSA-N 404.695 4.955 0 1 HJAF Cc1c(-c2cc3ccccc3[nH]2)cccc1N1CCC(NC2CCN(C)CC2)CC1 618009787 ITPJCYUUVBXOGL-UHFFFAOYSA-N 402.586 4.796 0 1 HJAF O=C(/C=C\c1cccc(F)c1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653719050 FANGEVCHIJBRGB-HMLKYZKVSA-N 412.424 4.635 0 1 HJAF COc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)ccc1OCCCN(C)C 962673616 ZHEZGGLEMADXLA-HHHXNRCGSA-N 416.565 4.928 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 962922347 QBOIEHGQAOLBFS-OZXSUGGESA-N 413.448 4.575 0 1 HJAF CC1=C[C@H](c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)[C@H](C(C)(C)O)CC1 2356394508 CBHRGXJCSVCIOR-VQIMIIECSA-N 422.477 4.788 0 1 HJAF CC(=O)[C@]1(CCC(C)=CCCC(C)=CCCC2=CC(=O)O[C@H]2O)[C@H](O)CCC1(C)C 2356658003 BDWHNXBIFYPWRV-GZGNHOFSSA-N 418.574 4.778 0 1 HJAF CCCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 1554400 HZXCJPDBOLVSEU-UHFFFAOYSA-N 423.460 4.548 0 1 HJAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2 5070925 GRBVTMYPYRNUJW-GMAHTHKFSA-N 422.569 4.504 0 1 HJAF CCN1c2ncc(CCc3cccc(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385126 LVLYKMQPZNKKHZ-UHFFFAOYSA-N 406.917 4.972 0 1 HJAF CC(C)Oc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1 13532810 DXFJLEXWZBCHSJ-UHFFFAOYSA-N 405.498 4.951 0 1 HJAF O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1ccccc1 28344425 HDOPDXBLGWHUBA-UHFFFAOYSA-N 424.485 4.941 0 1 HJAF CN(c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1)C1CC1 40937279 VPKZGDXLVKAYSG-UHFFFAOYSA-N 402.420 4.752 0 1 HJAF Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 43203318 ICEFWVJUDOWXTD-UHFFFAOYSA-N 412.493 4.930 0 1 HJAF COc1ccc(Cc2noc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC 49803823 FZBKCWULLLYQJB-DEOSSOPVSA-N 424.497 4.549 0 1 HJAF CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 64549810 VEAZSBOEIZAMHH-UHFFFAOYSA-N 403.929 4.786 0 1 HJAF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82139635 WJFGOQZUDCENOV-LPNJYYIDSA-N 422.548 4.905 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)oc1C 82164511 WMHKFSBGIVZQLH-UHFFFAOYSA-N 410.493 4.815 0 1 HJAF O=C(Nc1nc2ccccc2s1)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 100658472 SQIWFSKMYLOUDU-HXUWFJFHSA-N 411.486 4.796 0 1 HJAF O=C1Nc2ccc(F)cc2[C@@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1 101461539 LLPNZLTYMKXSLG-IBGZPJMESA-N 401.913 4.507 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258918 GFIGTNGISUKHQE-BBRMVZONSA-N 409.404 4.712 0 1 HJAF COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(n4ccc5cc(F)ccc54)C[C@@H]1CC3)CO2 169330367 JNQGARYQOOKJCC-ZJOUEHCJSA-N 420.484 4.707 0 1 HJAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 169703782 ZRWOCTWXOIJUFJ-IRXDYDNUSA-N 411.912 4.840 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(-c3cccc(-c4ccccc4)c3O)nc-2[nH]1 586896116 GOJUFWZFWSHRSJ-UHFFFAOYSA-N 409.449 4.662 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(Br)cc(F)c3[nH]2)cc1 586970701 ONTLDOHFVAOCMA-UHFFFAOYSA-N 422.323 4.687 0 1 HJAF O=C1c2ccccc2-c2cc(CCc3ccc(OC[C@@H]4CO4)cc3)nc3ccc(O)c1c23 586990424 FCNMJSLDGYFJLX-LJQANCHMSA-N 423.468 4.715 0 1 HJAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343054 AAGPGAAACRZFPU-REWPJTCUSA-N 409.413 4.612 0 1 HJAF CCC[C@]1([C@@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349892 QPYNOWFKNOBXGB-MHALITNNSA-N 400.446 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C(=O)O)cc3F)cc1)O2 587386133 SDALHBZDCUDJKP-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1 587399639 LQCLHRVFGMQBJS-RUZDIDTESA-N 408.542 4.842 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O 587421149 KKUCFVJJSLPCAT-HRAATJIYSA-N 410.857 4.672 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587455146 JTSQPQVLOZNKKB-UWUFEASWSA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(OC)nc1C)CC2=O 587458341 RZJXZYPUSNZGNM-FQEVSTJZSA-N 420.303 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C[C@H]3CCCN3CC)c1C)CC2=O 587470254 JRCPECODTNRBMT-KOSHJBKYSA-N 410.558 4.954 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc3ccccc3c1)CC2=O 587486356 ZJMGXTXRZXUMAA-RUZDIDTESA-N 404.462 4.922 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OCOC)c1)(c1ccccn1)CC2=O 587487161 DNKNMJMBEPAAJF-VWLOTQADSA-N 419.477 4.631 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cccc(C(=O)O)c21 587492922 ZJRHZADGVLHPCR-VWLOTQADSA-N 400.430 4.932 0 1 HJAF Oc1nc(O)c2cc([C@@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc2n1 587560279 DUGGPFYWFUMESM-QFIPXVFZSA-N 421.456 4.989 0 1 HJAF Cc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587682738 VDAKCUAEJPROBM-VPTHRUTESA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2cccn2)N1 587719137 KPDOKGFAZNKTDL-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1 587729455 VOIGXYFYUNWGAU-FKIZINRSSA-N 418.285 4.711 0 1 HJAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587755359 OYPHJBSDZSBGDP-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF Cc1cc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C 587839131 QKCZSIJGHMQWGV-FKIZINRSSA-N 416.290 4.935 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccn3)n2)N1 587852637 MNHYTVOKBUMXAU-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF CC(C)c1cccc2c1OCCC[C@@]21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962703418 BOUVBVHFVHUREX-KNQAVFIVSA-N 403.444 4.872 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1c(Cl)ccc2nccn12 962951731 IPRSTBDBNQLSNI-SFHVURJKSA-N 421.850 4.747 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(OCc2ccccc2)c2nc(O)ccc12 963075170 QZZRXPJMLAJAPE-SANMLTNESA-N 411.505 4.632 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(F)cc1)c1cc(F)cc(F)c1 963635659 NJKHPFTUEKLPPQ-BSEYFRJRSA-N 413.439 4.947 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21c2ccccc2COc2cc(F)ccc21 963636088 OUZILWDXHIAPIE-SGANQWHYSA-N 405.469 4.561 0 1 HJAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OC4CCC4)ccc3C2)cc1 1772628054 AFSXVRYXGISBMP-SFHVURJKSA-N 404.554 4.763 0 1 HJAF O=C(Nc1ccccc1C(F)(F)F)c1ccc([S@](=O)c2ccc(O)cc2)cc1 1857648201 XNUROBRHLQQAAM-NDEPHWFRSA-N 405.397 4.830 0 1 HJAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1nnc(N2CCOCC2)o1 1857749831 IGTLXGHCHSOWFW-UHFFFAOYSA-N 404.495 4.672 0 1 HJAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)CCC(C)=CC[C@@H](O)C(C)=Cc1csc(C)n1 2356401687 MAZMBUSHGWINCC-XQLZULMXSA-N 421.603 4.514 0 1 HJAF COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1 1324420 AYDOMLISQSHOJU-UHFFFAOYSA-N 415.833 4.847 0 3 HJAF O=C1COCc2cc(Br)ccc2N1Cc1ccc(C(F)(F)F)cc1 206016586 YSEUWHAIWICYMN-UHFFFAOYSA-N 400.194 4.531 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4041503 MLSURWXIZDSBDQ-UPVQGACJSA-N 407.558 4.884 0 1 HJAF CC[C@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2C[C@H]1c1ccc(OC)cc1 13450658 KYCBMYRNAKPMTN-RTWAWAEBSA-N 400.950 4.609 0 1 HJAF CCN(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871610 YLSSLUSGTJRYKH-UHFFFAOYSA-N 405.498 4.518 0 1 HJAF COCc1cccc2c1nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C 28952142 FPSIFUICXHZLCW-UHFFFAOYSA-N 420.557 4.974 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2cccn2)cc1 38396199 RCUTXJICVDHZFT-QHCPKHFHSA-N 415.493 4.890 0 1 HJAF O=C(Nc1cccc(Cl)c1)c1cc(Br)nn1-c1ncccc1Cl 103289738 DNFJGJJMHUVMAT-UHFFFAOYSA-N 412.074 4.589 0 1 HJAF Cc1ccccc1[S@@](=O)c1nc(-c2cnn3ccc(Br)cc23)cs1 103299152 WEDZUJXFVYHEDW-DEOSSOPVSA-N 418.341 4.695 0 1 HJAF CCn1c2ccccc2c2cc(-c3nc4cc(C(N)=O)ccc4n3CCOC)ccc21 145950473 IXYWOOOEFVLPLX-UHFFFAOYSA-N 412.493 4.576 0 1 HJAF C[C@@H]1Oc2ccccc2O[C@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1 169312216 PNGIUPKSHPIGPW-UUOWRZLLSA-N 422.525 4.642 0 1 HJAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1C(F)(F)F 169723931 UXPBCCWDGQWFOL-WBVHZDCISA-N 411.420 4.668 0 1 HJAF Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O 196208486 VSMAWNXCMCNNPR-CYBMUJFWSA-N 410.823 4.967 0 1 HJAF CSc1sc(-c2nc3ccc(O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920147 NCLWXJAJCYQMLC-UHFFFAOYSA-N 402.950 4.554 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586948697 KWPCMBVELVTYKL-UHFFFAOYSA-N 417.412 4.756 0 1 HJAF Cc1cc(F)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961785 SWKXKRYCMZUIQU-XPGWFJOJSA-N 413.518 4.705 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587043048 OZTVJKNIUCVGJL-ZDUSSCGKSA-N 423.325 4.551 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587121665 JQFRSPDIKYXAEX-UHFFFAOYSA-N 413.281 4.746 0 1 HJAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)cc(Br)c2[nH]1 587174065 FGFMAYPKORDAOI-ZDUSSCGKSA-N 407.674 4.842 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1 587218647 KHUJGMWVOOAUNS-SFHVURJKSA-N 411.383 4.981 0 1 HJAF CCN[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341126 WNJSOWZFJIWUIH-IUUIHGGBSA-N 405.469 4.784 0 1 HJAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354315 QJNGCKGNFJHUCF-HJHWRKHPSA-N 410.441 4.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(Br)c1Br)O2 587410513 OKEQYCVRFDQSNC-NSHDSACASA-N 417.122 4.870 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N1CCCC1)[C@@H](C2)C3=O 587417423 KJNXFTOMSMWQDJ-KKSFZXQISA-N 414.299 4.547 0 1 HJAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1-n1cccc1 587432596 XBBQUGUTHOWKFK-IQGLISFBSA-N 419.477 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1-c1ccc(C(=O)OC)cc1)CC2=O 587488579 QBUISAYJUWMDBN-JOCHJYFZSA-N 417.461 4.900 0 1 HJAF O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587501769 KFHCHRSORQNNPN-SFHVURJKSA-N 401.256 4.733 0 1 HJAF O=C1C[C@@]2(CCCc3nc(Br)sc32)Oc2c1ccc1c2CCCC1 587535967 QLPMRLZQLZOKPV-LJQANCHMSA-N 404.329 4.981 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)nc2sccn12 587620072 WUIDQHHHRTUIPR-IIBYNOLFSA-N 404.447 4.682 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(CC(F)(F)F)s2)N1 587709026 HJJLSHYXYRJVNQ-UOWDBTKRSA-N 409.246 4.773 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)cc3)CC2)N1 587726981 AMQFVRMVLPZQIQ-ZDUSSCGKSA-N 407.302 4.757 0 1 HJAF CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742474 LDXNVMKNLZUGQU-ODXCJYRJSA-N 405.311 4.653 0 1 HJAF Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587759980 NKFPDGLEUBXKKM-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587768101 ZYEVBXPEMXMTGV-MPBGBICISA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncccn3)cc2)N1 587775411 QWLXJLFMVHEINF-CWTRNNRKSA-N 414.278 4.794 0 1 HJAF CCOc1ccc(OCC)c(-c2nc3cccc(I)c3[nH]2)c1 587778530 OUKXFDIMAMSULV-UHFFFAOYSA-N 408.239 4.632 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587808312 YGLFTZREIPDWEZ-BIBXISHDSA-N 416.294 4.611 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587827150 HURNTPXYPYGIDQ-DGIBIBHMSA-N 404.235 4.877 0 1 HJAF Cc1ccccc1Nc1nc(Cl)c([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)s1 962890073 BIOFPWZJPCMZDA-HOCLYGCPSA-N 417.893 4.676 0 1 HJAF COc1ccc2c(c1OC)[C@H](CC1=CCCCC1)N(C(=O)c1ccccc1N)CC2 963155408 GWAPCVMOTZNGEY-NRFANRHFSA-N 406.526 4.916 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc3cc(O)ccc3c2)N1 963177246 CQDOQWFCTGNMEB-RBUKOAKNSA-N 421.802 4.906 0 1 HJAF COc1cc(C)c2[nH]ccc2c1CN1CC[C@H](OC)C[C@H]1c1ccc(C(=O)O)cc1 1911571385 MNWOIQKVANULGE-RXVVDRJESA-N 408.498 4.535 0 1 HJAF CC1(C)C[C@@H](NCC2CCCCC2)[C@@]2(CCC(=O)NC3CC3)CC[C@](C)(O)C[C@@H]12 2356825928 HGRRFGYXQVDQTB-JQOLTRQRSA-N 404.639 4.551 0 1 HJAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 774959 ZVCSOLJCBQANJK-UXHICEINSA-N 424.472 4.580 0 1 HJAF O=C(c1csnn1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 3956222 PGTNRXGMNNYGTF-UHFFFAOYSA-N 418.566 4.728 0 1 HJAF CCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1 13794475 CZZWIASDTUMWTL-UHFFFAOYSA-N 405.340 4.754 0 1 HJAF CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)cnc32)cc1 13826801 RXQUMYDQKWIOQS-UHFFFAOYSA-N 403.935 4.898 0 1 HJAF C[C@H](C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(=N)N)cc12 14950748 AFEFYKVGLKZFNF-HNNXBMFYSA-N 422.492 4.533 0 1 HJAF Cc1ccc(-c2nc(SC[C@@H]3C[C@](C)(O)CC(=O)O3)[nH]c2-c2ccc(C)cc2)cc1 27438668 OVDBTRIWXKFQPB-CYFREDJKSA-N 422.550 4.909 0 1 HJAF Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F 40876540 CTNODSDKBPJKAA-CVEARBPZSA-N 417.891 4.719 0 1 HJAF O=C(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(C(F)(F)F)cc1 45193560 ZHZRYBCSWASTAA-MRXNPFEDSA-N 419.834 4.916 0 1 HJAF CN(CC(=O)NCCC1=CCCCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085671 BVBSGCRLJQCHPJ-UHFFFAOYSA-N 417.509 4.574 0 1 HJAF COc1cc2nc(N3CCc4ccccc4C3)nc(NCCC(C)C)c2cc1OC 82130384 ANDYECOCXWOTMJ-UHFFFAOYSA-N 406.530 4.668 0 1 HJAF CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCN1CCCCC1 82179972 TXGNQQABSFHBHN-UHFFFAOYSA-N 420.605 4.555 0 1 HJAF Fc1cccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)c1 82181610 NCIAGAGYOTWOEQ-LJQANCHMSA-N 409.509 4.804 0 1 HJAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1 96177652 QFDCAIGPOOJJLL-ZBFHGGJFSA-N 423.463 4.538 0 1 HJAF COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1 100705344 VVESTOQMISVYLD-AWEZNQCLSA-N 407.495 4.501 0 1 HJAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1 103291357 TYXSRKQOIGGFPW-UHFFFAOYSA-N 416.308 4.919 0 1 HJAF CC(=O)O[C@H]1/C=C(\C)CC[C@@H]2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(OC(C)=O)C(C)C 238777729 XNKTXYIUQKEKBK-HLNFKRCASA-N 406.563 4.731 0 1 HJAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)c3ccccn3)c3ccccc23)c(O)n1 474609500 QMLDYJBLIQAXSS-KRWDZBQOSA-N 414.509 4.601 0 1 HJAF CC(=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587114638 VUBUXXRXFSPAMU-UHFFFAOYSA-N 407.417 4.656 0 1 HJAF CC(C)CCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353637 ZQUDOYLKIRMYRS-GGAORHGYSA-N 400.446 4.628 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(OC)cc1Br)CC2=O 587455416 BORRJPSRPZKBBV-QGZVFWFLSA-N 407.260 4.528 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC[C@H]1CCCO1 587605796 BAMDKTLWZVPLMF-QOFFVNHYSA-N 418.445 4.653 0 1 HJAF CCOP(=O)(C[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC 587608742 SMKPUFNYOZWWTM-WIYYLYMNSA-N 420.398 4.769 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(O)c(Cl)cc32)N1 587695181 IHXPGBNOXYLQKZ-NIVTXAMTSA-N 412.686 4.508 0 1 HJAF CCOC(=O)C(CC)(CC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795948 JUCZNOCTTSUCFL-KPZWWZAWSA-N 400.332 4.707 0 1 HJAF Cc1cccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587826849 JNLYSKJTFGYLQN-QKKBWIMNSA-N 420.322 4.929 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829752 CFQYSFMWTPBBMS-GIPWTMENSA-N 406.295 4.633 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 587868445 LMCKLDUQKCCDFU-CVEARBPZSA-N 401.388 4.725 0 1 HJAF Cc1ncc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)nc1Br 587940722 LFAZVGNMHOBYIZ-UHFFFAOYSA-N 415.074 4.723 0 1 HJAF Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1cc2cnccc2c(Br)n1 587942387 XKHJZQMPLMZQLX-UHFFFAOYSA-N 416.662 4.915 0 1 HJAF COCC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 653700461 AREGOAINTOYLKR-INIZCTEOSA-N 400.935 4.836 0 1 HJAF Nc1ncnc2c1c(-c1cccc(OCC3CCC3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1 653727854 YJHCQMYPIYWRES-PUZFROQSSA-N 417.557 4.516 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccc(F)c(C)c1)N(C(=O)c1ccccc1N)CC2 963154775 FIDUJOVZHYSLKL-HSZRJFAPSA-N 420.484 4.521 0 1 HJAF Cc1cccc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)ncnc12 1857569138 ALRANRPSROSEJQ-UHFFFAOYSA-N 415.415 4.857 0 1 HJAF COc1cccc(-c2cc3nc[nH]c(=Nc4cc(OC)c(OC)c(OC)c4)c3s2)c1 1857580557 GFEZIYFTLOBGJY-UHFFFAOYSA-N 423.494 4.558 0 1 HJAF COc1ccc2c(CN3CCC4(CC3)OCCO4)cn(C/C=C/c3ccccc3)c2c1 1857631478 VUKJGMCJYFMOFF-VMPITWQZSA-N 418.537 4.702 0 1 HJAF CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)nc2ccccc12 2356721939 TZNSCYJMVXROOH-NLFFAJNJSA-N 414.553 4.633 0 1 HJAF COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccccc4OC)cn23)cc1OC 61926382 LVTHBZFJPGVJGT-UHFFFAOYSA-N 417.465 4.653 0 3 HJAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 774741 OFCLBEHXLQNAFZ-LBPRGKRZSA-N 423.271 4.955 0 1 HJAF CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c12 16042435 WNKHATFLYYUMCW-XOBRGWDASA-N 417.502 4.509 0 1 HJAF biogenic C=CC(=O)Nc1ccc2c(c1)CNc1c(Nc3ccc(F)c(Cl)c3)ncnc1O2 28571051 KNFFQVJLBXYTKR-UHFFFAOYSA-N 411.824 4.855 0 1 HJAF CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)C[C@H](C)c2c1[nH]c1ccccc21 38727815 KGLPNKZEJPFLFT-AWEZNQCLSA-N 408.885 4.985 0 1 HJAF Clc1ccc([C@@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)c(Cl)c1 45245425 LBKPGJJWLRYYBL-NRFANRHFSA-N 414.336 4.683 0 1 HJAF O=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccco1)N1CCCC1 82142736 GCCYXQKFGJQQNE-UHFFFAOYSA-N 416.403 4.604 0 1 HJAF c1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)cc1 82178208 OSDDSXYATIPQJL-UHFFFAOYSA-N 406.493 4.743 0 1 HJAF OC[C@@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 95878529 KHZFHAVWRUEQAM-TUSQITKMSA-N 406.476 4.981 0 1 HJAF CC(C)(O)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638871 OJIWLGVUVVOWBC-KDURUIRLSA-N 415.574 4.521 0 1 HJAF COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)c(OC)c1OC 103169408 OEZRKRHLSMETFT-NRFANRHFSA-N 404.466 4.563 0 1 HJAF COC(=O)CCn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 103182355 MRKQQGMTDZQANQ-UHFFFAOYSA-N 417.746 4.598 0 1 HJAF Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1 118882985 NLJGYOWLAWTHSL-UHFFFAOYSA-N 413.359 4.905 0 1 HJAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2nccc(C(F)(F)F)c21 146759510 GYBNWPLSBXULEW-LLVKDONJSA-N 424.728 4.565 0 1 HJAF O=C(Nc1ccccc1)[C@H]1CC[C@]23CCN(CC4CC4)C[C@@]2(Cc2ccc(O)cc23)C1 169727649 YLMCBOPBZSKALW-GCCWUPBUSA-N 416.565 4.727 0 1 HJAF O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2)c1F 218903757 SCHLQILLTIRTCI-UHFFFAOYSA-N 403.356 4.552 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(C)cc1C 261189037 YKHBZBAVQPMFIY-NRFANRHFSA-N 418.493 4.628 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299884251 SSSPUMHMRBAFST-CWJKEVGVSA-N 424.944 4.913 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586917495 STQBNKCUZFMFAX-BVZFJXPGSA-N 412.493 4.611 0 1 HJAF COc1ccc2c(C)c(CCc3nc4cc(Cl)nc(Cl)c4[nH]3)c(=O)oc2c1C 586917708 FPRPEINSDDIHJQ-UHFFFAOYSA-N 418.280 4.782 0 1 HJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 586980736 FMAYRXJYZDHWKC-SFHVURJKSA-N 410.275 4.815 0 1 HJAF Brc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cn1 587017924 PWOLKTLWFGVXHO-UHFFFAOYSA-N 423.299 5.136 0 1 HJAF Clc1cccc(-c2cc(-c3nc4c(I)cccc4[nH]3)n[nH]2)c1 587068239 NCUWOUQZYDXNNL-UHFFFAOYSA-N 420.641 4.878 0 1 HJAF CC(C)(C)OC(=O)N[C@H](c1nc2c(F)cnc(Br)c2[nH]1)C1CCCC1 587226837 USSXJQPTGRUYHY-NSHDSACASA-N 413.291 4.616 0 1 HJAF CCc1nn(CC)c2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341110 IPUTZXCFRYVEAV-RCZVLFRGSA-N 420.484 4.901 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O 587426403 MVXDFSAPINQYPQ-UQBPGWFLSA-N 418.420 4.862 0 1 HJAF O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587639078 UWRRSASBYNCINV-UHFFFAOYSA-N 412.161 4.878 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1 587702998 QHIWBKQUPKLGEK-DXXWUUCVSA-N 424.697 4.660 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccccc2)N1 587763066 HRSFNBBSWVHFPK-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF COc1ccc2c(c1OC)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587806345 IAFHSHGJUHWYJW-LAJNKCICSA-N 420.322 4.720 0 1 HJAF Cc1c2ccc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)cc2nn1C 962950356 DTWRQEJYYOAJFH-NRFANRHFSA-N 415.459 4.641 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2nc(-c3ccc(OC)cc3)no2)N1 962963864 XFUBVJUBSBYMND-VOIUYBSRSA-N 402.498 4.609 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@H](c3c[nH]c4cc(OCc5ccccc5)ccc34)c3cccc1c32 963038601 WODCODGORJMMNL-DNOBIOAJSA-N 423.516 4.890 0 1 HJAF O=c1n(Cc2cc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1C1CC1 1911578459 CYNPQKZIFRFIFF-UHFFFAOYSA-N 412.896 4.939 0 1 HJAF COc1cc([C@@H]2[C@H](C)[C@@H](C)[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 2356337107 VOWJIFKFNBEVKN-LHEXPUQLSA-N 412.482 4.708 0 1 HJAF Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc12 4757674 YFQJDEQXUXGNGA-HSZRJFAPSA-N 417.509 4.558 0 1 HJAF COc1cc(NC(=S)N(C)C)c(C(c2ccc(C)o2)c2ccc(C)o2)cc1OC 5337700 HWETZYJEOHLGKF-UHFFFAOYSA-N 414.527 4.945 0 1 HJAF biogenic O=C1C[C@H](CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]c3ccccc3c21 13471720 OZMFVKDFRHXPOM-MRXNPFEDSA-N 404.485 4.647 0 1 HJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)CCCN(C)C 28245287 DJJKBOVMQZVETN-OALUTQOASA-N 400.394 4.541 0 1 HJAF CCN(CC)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 82067036 GHYVMJJXFJRXCM-GOSISDBHSA-N 421.545 4.952 0 1 HJAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1 84725787 ANVVYAMFYDMKJD-UHFFFAOYSA-N 410.392 4.559 0 1 HJAF COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OCC=C(C)C 95914460 WXYFFRZGPDZASV-XDESJKQVSA-N 424.493 4.844 0 1 HJAF biogenic,in-vitro COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@@](c2ccsc2)(Cc2ccccc21)O3 102888040 IXXBUDDQZMBLOG-REWPJTCUSA-N 404.443 4.771 0 1 HJAF Cn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(Oc2cccc(C(F)(F)F)c2)n1 103292108 YXJLWXIKGKBUPT-UHFFFAOYSA-N 415.293 4.901 0 1 HJAF O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3)ccc21)Nc1ccc(Cl)cc1 103292459 XXBBXKQCUBEYGG-UHFFFAOYSA-N 422.893 4.586 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 238759628 FVVSHRMUDMBKFA-LADJJUAMSA-N 418.574 4.896 0 1 HJAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c2ccccc12 473169870 OIRYAYABMIPBSY-UHFFFAOYSA-N 414.392 4.933 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc([C@H](C)C(=O)O)cc21 587407293 GYFYUKIYPNJNSC-SXBQZSJRSA-N 415.445 4.780 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O 587442697 NEGNMQBEPCBVPX-NBGIEHNGSA-N 416.429 4.849 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Br 587538430 DUVAIRWNDUJAGA-XLIONFOSSA-N 413.223 4.563 0 1 HJAF O=C1C[C@@H](C2=C(c3ccccc3)N3CCN=C3S2)Oc2c1ccc1c2CCCC1 587539348 VTBSALPMGIRBBC-FQEVSTJZSA-N 402.519 4.686 0 1 HJAF CCC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587582017 YINUCMYXJKURIH-URXFXBBRSA-N 403.434 4.618 0 1 HJAF COc1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599796 HMPZXIOHYYDCQG-RCZVLFRGSA-N 402.446 4.984 0 1 HJAF CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@@H](C)C2 587615210 FJXXZWCPWGHNMA-GACAWOKJSA-N 418.445 4.817 0 1 HJAF CCOC(=O)c1c(-c2cncn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628245 PWFCAHFRACPJNK-UHFFFAOYSA-N 405.298 4.783 0 1 HJAF Cc1csc2ncnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 587657584 YGOSNBZOOXWLIE-UHFFFAOYSA-N 406.417 4.644 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Br)N1 587681283 KFJXBQWLMMCZOA-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1 587720053 QZCVVCSEMSYVAV-MPBGBICISA-N 407.302 4.951 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587743077 NTJPRVRJVBRBFW-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(CCc4cccc(OC)c4)[nH]c3c2)cc1 587929960 BEPLSUIRJONSMW-UHFFFAOYSA-N 402.450 4.936 0 1 HJAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(Cl)c(O)c(Cl)c2)N1 962698626 NHTDORGINZCYCD-ZIAGYGMSSA-N 424.177 4.545 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1)N1CC[C@@H](F)C1 1772587039 GJIPOROCDOMYPF-CYBMUJFWSA-N 405.351 4.625 0 1 HJAF Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2ccc(N3CC[C@@H]3C(=O)O)nc2)c1 1772587429 QFKBEQQDHYDUJB-LJQANCHMSA-N 417.513 4.551 0 1 HJAF COc1cc(N(CC2(C)CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772597040 AANFOUCBNMVANI-IRXDYDNUSA-N 414.889 4.585 0 1 HJAF CC=C(C)C(=O)O[C@H]1C=C(C)C[C@@H](OC(=O)C(C)=CC)[C@H]2[C@](O)(C(C)C)CC[C@@]12C 2356484718 FVVSHRMUDMBKFA-DCDJFBNSSA-N 418.574 4.896 0 1 HJAF CC(C)=C[C@@H]1CC(=CCCC(C)=CCCC(C)=CC[C@H](O)C2=CC(=O)OC2)C(=O)O1 2356726031 VKOBTBGPXFPMMX-PKTZIBPZSA-N 414.542 4.882 0 1 HJAF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc1 767440 QYRCEHXHHYMMAP-FYYLOGMGSA-N 420.534 4.598 0 1 HJAF CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 2469339 WKZMZTZKLRPCBR-XZOQPEGZSA-N 403.526 4.727 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c2c1[C@H](O)Oc1ccc(CC=C(C)C)c(O)c1C2=O 13373314 WFHNNILBVLUOKP-RUZDIDTESA-N 424.493 4.874 0 1 HJAF biogenic,in-vitro O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(Cl)cc2)ccc1=O 25421988 SGRJMLQFQFSIMR-AEFFLSMTSA-N 419.912 4.820 0 1 HJAF biogenic CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N 28870439 QLIVPGJLVJVMJT-UHFFFAOYSA-N 413.356 4.983 0 1 HJAF Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CCC1 29124476 IDRVMUAIPDDUSW-YZSQISJMSA-N 411.443 4.823 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Nc3ccc4ncsc4c3)c1NC2 38149521 MWMJWMHDESAPBK-UHFFFAOYSA-N 407.455 4.565 0 1 HJAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(Br)c3)c2)on1 45257048 HUHJTNWQSSIYRL-UHFFFAOYSA-N 402.244 4.860 0 1 HJAF CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](NCN1CCCC1)C2 64373281 BUPIVROIGNEUGH-CAOORNBYSA-N 403.614 4.680 0 1 HJAF O=C(OC[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)c1ccccc1C(F)(F)F 73197086 OCFXPYWXJKNERT-GOSISDBHSA-N 419.443 4.734 0 1 HJAF Cc1cc(O)n(-c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)n1 103521958 NHRVZWVWFBPPBS-UHFFFAOYSA-N 407.271 4.773 0 1 HJAF C[C@H](NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1 166656760 SVSJNQNJSDMEAF-HNNXBMFYSA-N 408.465 4.506 0 1 HJAF COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)c(F)c1 221237651 ICZIAJCVIIUREC-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF O=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(O)c2)c1 299859000 VBEINGUKLZGYFO-UHFFFAOYSA-N 420.484 4.925 0 1 HJAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C(F)(F)F)cc3)nn21 473105559 SXZJVGLIIPCOQY-CYBMUJFWSA-N 419.378 4.841 0 1 HJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 586908659 SUZTUZIJRWJAQQ-MRVPVSSYSA-N 424.092 4.669 0 1 HJAF CSCC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586968774 JEIRPIWMDLAOJJ-UHFFFAOYSA-N 409.964 4.658 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(CCc5scnc5C)[nH]c4c3)o2)cc1 587028366 UJLUTGWJBMKQHG-UHFFFAOYSA-N 417.494 4.839 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587042134 IFQHKIRMQVXZQF-LLVKDONJSA-N 400.237 4.803 0 1 HJAF COc1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587149374 RKRYOHHZQGZACH-UHFFFAOYSA-N 419.172 4.963 0 1 HJAF CNc1cccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1 587233621 ULCBURBXKAJWJI-UHFFFAOYSA-N 422.492 4.998 0 1 HJAF Cc1cc(Cl)ccc1O[C@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12 587276612 OVGASVUEGUMASR-SNVBAGLBSA-N 424.678 4.695 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Br)cc(Cl)cc31)O2 587371300 KGQJXQKLXJRDFX-GOSISDBHSA-N 408.679 4.636 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)O2 587377743 YAJPCXLNCMQZOB-HXUWFJFHSA-N 408.281 5.000 0 1 HJAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421581 UQTKOCPRYUKCCX-PMAPCBKXSA-N 414.885 4.581 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC(F)F)c(OC)c1)CC2=O 587468915 ZFGXSCRSDBPBLH-MRXNPFEDSA-N 408.397 4.670 0 1 HJAF Nc1ccccc1[C@@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587511119 NJFNUDVNWBNCHK-SANMLTNESA-N 413.473 4.755 0 1 HJAF COc1ccc([C@@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587523505 JJIFCGGLDZOHRU-SANMLTNESA-N 416.473 4.894 0 1 HJAF COc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587595818 UAEGLOQKRCOECI-ZJSXRUAMSA-N 406.434 4.595 0 1 HJAF Cc1noc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587789904 AUTBMWGEUKMLMS-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccccc2C(=O)O)N1 587849124 ZXKVNMSMSDPFFB-WYRIXSBYSA-N 424.335 4.828 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(NC(C)=O)c1 587864505 LBXTVBNLLPDDAR-UHFFFAOYSA-N 417.387 4.615 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)N(C)[C@@H](C)C2 962629802 PZOVBGTZMGWGJH-ZSEKCTLFSA-N 407.432 4.697 0 1 HJAF CCCCCCOc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963231913 SDWNTTDXYWTTEE-RPWUZVMVSA-N 404.510 4.882 0 1 HJAF COc1cc(OC)c(-c2cn3ccc(NCCN4CCCCC4)cc3n2)cc1Cl 1857606063 URBDTJDBPNEJSV-UHFFFAOYSA-N 414.937 4.570 0 1 HJAF CC(=O)O[C@H](CCC(C)=C[C@@H](O)CC(C)=CCCc1ccoc1)[C@@]1(C)CCC(=O)O1 2356420144 QBMTWQFCLDXOKN-WMTXJRDZSA-N 418.530 4.663 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=CCN(CC(=O)O)C=C3CC[C@H]21 2356866241 WOEJKJRYYMIVPV-AXWOKOBESA-N 415.574 4.783 0 1 HJAF CC(C)Oc1ccccc1N1CCN(Cc2cccc([C@H](O)c3ccccc3)c2)CC1 598768 DXKPKHZYFJOYGC-HHHXNRCGSA-N 416.565 4.878 0 1 HJAF CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccccc1Cl 1651339 CNQNWKZPQLTWQK-UHFFFAOYSA-N 404.904 4.582 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Br)c(O)c4)cc3)nc2c1 3815909 FLVAMFDWUSKJBQ-UHFFFAOYSA-N 424.254 4.589 0 1 HJAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCCCC1 27626706 AIUJYJRSMOVKCV-MRXNPFEDSA-N 414.933 4.839 0 1 HJAF O=[N+]([O-])OCCCCCCNCCCCNc1c2c(nc3ccccc13)CCCC2 29135794 GWQSPHDARHMRIN-UHFFFAOYSA-N 414.550 4.664 0 1 HJAF NC(=O)c1ccc2nc(-c3ccc(C(=O)c4ccc(Cl)cc4Cl)cc3)[nH]c2c1 34451401 NBTNMGMPEAYKCG-UHFFFAOYSA-N 410.260 4.867 0 1 HJAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1ccco1 45194569 VZEIFLCRYGHAOR-INIZCTEOSA-N 402.903 4.900 0 1 HJAF CN(c1cc(NC(=O)c2ccccc2)ccn1)C1CCN(Cc2cccc(F)c2)CC1 45201522 MZHBJZUXZVASKL-UHFFFAOYSA-N 418.516 4.574 0 1 HJAF CO[C@@H]1CC=C2NN(c3cc(Cl)cc(Cl)c3)C(=O)CC[C@]2(c2ccccc2)O1 64466737 GTKPQICBOLSWEM-LEWJYISDSA-N 419.308 4.797 0 1 HJAF CCOc1ccccc1-c1nc(CN(CC)[C@@H]2CCN(Cc3ccccc3)C2)co1 72103589 SSVBMKJDSSJAGM-JOCHJYFZSA-N 405.542 4.837 0 1 HJAF CN(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 73197560 BIBMVJRVJNVTPZ-DEOSSOPVSA-N 415.468 4.688 0 1 HJAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180398 WWSKARQFYUPAET-LJQANCHMSA-N 415.541 4.739 0 1 HJAF Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=C(c1ccccc1)N2 102820164 IRITUHHODVYQMM-LJQANCHMSA-N 410.452 4.617 0 1 HJAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)Cc2ccccc2)CCCO1 103205073 VRDWETXOYPQKRF-OAQYLSRUSA-N 409.592 4.713 0 1 HJAF Cc1ccc(S(=O)(=O)N[C@H]2CCCCCCCCCCC(=O)OCCC2)cc1 103215584 NGHRHQFYOIJSQJ-FQEVSTJZSA-N 409.592 4.880 0 1 HJAF CCc1cccc(CC)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 113580167 DILULWYUWAMYNU-UHFFFAOYSA-N 423.553 4.591 0 1 HJAF CC1(C)c2cc(OCCNC3(CO)CCCC3)ccc2C(=O)c2c1oc1ccccc21 116890412 IIMZHNZWLWOZEZ-UHFFFAOYSA-N 419.521 4.577 0 1 HJAF CCc1ncc(Cc2ccc3cccc(OC(C)=O)c3n2)c2cc(OC)c(OC)cc12 148626333 LBQSFKHMKSYYCW-UHFFFAOYSA-N 416.477 4.879 0 1 HJAF CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@H]1OC(C)=O 195233311 SVAFVUMQBHODCP-YGJFBUDSSA-N 404.547 4.816 0 1 HJAF COc1cccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 299809338 MMNBLWWOPKBGPM-BLIXFSHQSA-N 422.352 4.876 0 1 HJAF Oc1nc(CCCCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12 299867085 PVCZECMAWJPJJU-UHFFFAOYSA-N 410.949 4.524 0 1 HJAF Cc1c(-c2cc3ccc(O)cc3oc2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993415 HPSPANHJJSRZHW-UHFFFAOYSA-N 421.408 4.939 0 1 HJAF Cc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1C(F)(F)F 587095757 UEWLDBGZELYUHB-UHFFFAOYSA-N 413.403 4.540 0 1 HJAF COc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144132 QZRHZGMIFJUSFI-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)cc1N 587232670 YSPCJJHWPZNFCP-UHFFFAOYSA-N 409.493 4.944 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Br)c1OC)[C@@H](C2)C3=O 587414705 WPINPUPZVBWQQS-GTNSWQLSSA-N 409.663 4.608 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c(F)c1 587427323 SMNUGKFYYZZFFS-DVECYGJZSA-N 418.420 4.777 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(O)c(OC)c1)CC2=O 587456000 IOQWHSRDSLDJHC-MRXNPFEDSA-N 407.260 4.528 0 1 HJAF O=C1CC2(CCC(N3C(=O)c4ccccc4C3=O)CC2)Oc2c1ccc1c2CCCC1 587517740 UAABZLKUXHQCLB-UHFFFAOYSA-N 415.489 4.508 0 1 HJAF CC(C)(C)c1nc2cncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587589197 WFKAFHDFYBWVGX-PGRDOPGGSA-N 416.433 4.929 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2F)N1 587738486 OUIHJJAMNJCJOM-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1 587752714 FGAVTHNKQQJEER-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF COCCCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798834 ZOFYOSRHJFWXFC-ZUOKHONESA-N 408.311 4.627 0 1 HJAF COC(=O)C[C@]1([C@H](C)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807762 NAIMQFFJNPPCLM-ZMOMAAQPSA-N 420.322 4.685 0 1 HJAF CCC[C@@]1(c2ncccc2Cl)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962723259 YWTAYTGIUQGTJY-MAUKXSAKSA-N 416.802 4.536 0 1 HJAF CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905433 PQLOOECUAPSKMD-BFLUCZKCSA-N 419.496 4.835 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C(=O)c1ccsc1)c1ccsc1 963060760 WSUPVENHYIBUJE-QFIPXVFZSA-N 406.532 4.639 0 1 HJAF COc1cc(Cl)cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963170920 AXWCBWKOEMADPX-XJKSGUPXSA-N 420.214 4.709 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](F)C1 1772620889 FWLFRXVPNVBXGR-CQSZACIVSA-N 405.351 4.625 0 1 HJAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@@H](c2cccs2)N2C(=N1)Nc1ccccc12 1857567708 UCCOOBMVTLDQJJ-MEDUHNTESA-N 407.417 4.859 0 1 HJAF CC(=O)O[C@@H]1C[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2C(C)(C)[C@H]1OC(C)=O 2356678736 RIVHNPMZWXZMQB-QOEYQVKJSA-N 420.546 4.680 0 1 HJAF COc1cccc(-c2cc3nc(NCc4ccc(C)cc4C)n(C)c(=O)c3s2)c1 61897016 YCQVEYIPBZBFLU-UHFFFAOYSA-N 405.523 4.900 0 3 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1F 13742741 NMPUFHPNLBRJGC-HEVGNLSTSA-N 410.533 4.678 0 1 HJAF COc1ccccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26950888 FFFBLUYUGVALAT-ZQTDRJQXSA-N 422.569 4.547 0 1 HJAF CC(C)(C)c1csc(/C=C/c2cccc(NC(=O)Cc3ncccc3C(=O)O)c2)n1 27423737 RJPBFTJWTADENU-MDZDMXLPSA-N 421.522 4.885 0 1 HJAF CCCCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518296 JQJZBTMMOWWNFL-UHFFFAOYSA-N 413.901 4.826 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1 40423950 STLPFFOBJRJDSS-UHFFFAOYSA-N 415.337 4.894 0 1 HJAF Cc1cc(CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ccc1O 45193017 MJHHAMNEVCHHLJ-UHFFFAOYSA-N 416.565 4.624 0 1 HJAF COC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 59813520 YFVQTVPQKVQJJR-UHFFFAOYSA-N 422.510 4.816 0 1 HJAF COc1cc(C(=O)c2cc(/C=C\c3cccs3)sc2N)cc(OC)c1OC 71341932 UATQNDBHPVYWIV-SREVYHEPSA-N 401.509 4.819 0 1 HJAF Brc1cccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 73161904 OQQCJWPSEZQOCX-UHFFFAOYSA-N 405.273 4.563 0 1 HJAF COc1ccccc1OCCNC[C@@H]1CCC(c2ccccc2)(c2ccccc2)C1=O 73199223 QLQDGQGXEOZRKZ-NRFANRHFSA-N 415.533 4.629 0 1 HJAF O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O 95597436 YBMQJGHRUVZVEV-UHFFFAOYSA-N 419.730 4.884 0 1 HJAF FC(F)(F)c1ccccc1CN1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 100108464 JNUFHWRNTAJLAP-JKHIJQBDSA-N 409.455 4.707 0 1 HJAF CC(=O)N1CCC[C@@H]([C@]2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1 136428092 RIBYLXUNNWIWJK-ZHRRBRCNSA-N 417.336 4.685 0 1 HJAF Fc1ccc2c(c1)c1c(n2CCCOc2ccc(Br)cc2)CCNC1 169350519 DTJCIACFACUGCG-UHFFFAOYSA-N 403.295 4.658 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@@H](O)C=C(C)[C@@]21C 238741779 NVEWIEAUNOPBPT-GKYFPXRSSA-N 416.558 4.507 0 1 HJAF C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(C)(C)CCC[C@@]21C 238765351 HAZCIIROBOIRCJ-RYKVXLRTSA-N 404.591 4.961 0 1 HJAF COc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1 473090052 ULJWQYIQRCZYKH-UHFFFAOYSA-N 410.465 4.749 0 1 HJAF CCOc1ccccc1[C@@](N)(c1nc2ccc3nc(C)ccc3c2[nH]1)C(F)(F)F 587092905 OQWJSIFNPDYUHI-HXUWFJFHSA-N 400.404 4.583 0 1 HJAF O=C(O)/C=C/C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104142 NMHJHWSNDIVFOK-OUKQBFOZSA-N 420.424 4.693 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(O)c4[nH]3)nc2n1 587115539 ZMBKHKLLQWAFFT-UHFFFAOYSA-N 407.421 4.734 0 1 HJAF N[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1F 587151545 SHUYLKBJVROOQH-ZDUSSCGKSA-N 406.152 4.671 0 1 HJAF CC[C@@H](c1nc2cc(C)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 587185429 LYQHDHUDLQFZHM-AWEZNQCLSA-N 414.678 4.634 0 1 HJAF CC(=O)NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC(C)CC1 587233794 DBNKWFDQLZQMIK-UHFFFAOYSA-N 418.257 4.886 0 1 HJAF 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COc1cccc2c3c(cnc12)CCN[C@]3(CC(=O)C(C)(C)C)c1ccc(C)cc1 963034109 LMDHCWVXRKGPKG-AREMUKBSSA-N 402.538 4.946 0 1 HJAF Oc1ncc(Cl)cc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819970 ZONQVPRDDUBKTJ-NRFANRHFSA-N 405.885 4.736 0 1 HJAF COc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2O)c1 1772637060 SXBJGDFYKKTSFA-FGZHOGPDSA-N 423.310 4.784 0 1 HJAF C[C@@H](C(=O)OCCC(=O)NCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 1857611625 HZOBCZIGQTWJRS-GOSISDBHSA-N 405.469 4.846 0 1 HJAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC4CCC4)C=C3C)[nH]c2c1 2356318317 FZZCXHLOYQRFJE-QKNQBKEWSA-N 409.574 4.889 0 1 HJAF CC(C)=CCCC(C)=CCOc1ccc(C(=O)[C@@H](O)Cc2ccc(O)cc2)c(O)c1 2356454741 VYLOLEWQBDGYSZ-DEOSSOPVSA-N 410.510 4.956 0 1 HJAF CC(=O)O[C@@H]1C(C)=C(CCC(C)=CCO)[C@]2(C)CCCC(C)(C)[C@H]2[C@H]1OC(C)=O 2356491815 QQJGTXJPLKSUKT-GBAAUQCPSA-N 406.563 4.731 0 1 HJAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 12480305 MMOLNQQDMGBGAD-AZUAARDMSA-N 416.477 4.506 0 3 HJAF CC(=O)Nc1ccc(CNc2nc(NCc3cccs3)nc3ccsc23)cc1 61926502 SDJQZZFUMVBXEW-UHFFFAOYSA-N 409.540 4.935 0 3 HJAF O=C(CCc1ccccc1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 72139656 QTFVUFMLVREQPY-UHFFFAOYSA-N 412.468 4.548 0 3 HJAF CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12 95567884 SRFVVMRHYFJDPF-BVAGGSTKSA-N 419.521 4.582 0 3 HJAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]12C 256431413 OZZAYJQNMKMUSD-JGQZMGLOSA-N 416.558 4.931 0 3 HJAF in-vitro CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCC[C@@H]1O 773349 CUNQDEORRYQIQP-OALUTQOASA-N 424.472 4.580 0 1 HJAF CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 4546972 NOAAYYGMQJWHRR-HBSUSQTFSA-N 414.590 4.526 0 1 HJAF CCc1nnc(S[C@@H](CC)C(=O)N2CCCCCC2)c2cc3sccc3n12 6893906 UMZLVNHKRHBSJW-INIZCTEOSA-N 402.589 4.780 0 1 HJAF C[C@@H](NC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 13681777 NLFQZGZNWSXJNG-ROMXAMHQSA-N 419.565 4.713 0 1 HJAF O=S1(=O)Oc2ccccc2N(CCc2cccc3ccccc23)c2ncccc21 40402282 PHLCKICCJIWIDW-UHFFFAOYSA-N 402.475 4.697 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](C)[C@H](C)C2 68590504 HFOJLJJWRROUFQ-CHWSQXEVSA-N 402.487 4.701 0 1 HJAF biogenic [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O)cc3)C2=S)cc1C(F)(F)F 167675210 NWTMEODFHATUNN-UHFFFAOYSA-N 405.401 4.878 0 1 HJAF CC1(C)CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1 206120130 HHUBMCNSFFNTCO-UHFFFAOYSA-N 405.433 4.679 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587327224 FWFMYMQYCIHVDR-KNQAVFIVSA-N 412.800 4.524 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(OC(F)(F)F)c1)O2 587384295 ZSUFLOKTXOXETN-OAHLLOKOSA-N 416.193 4.945 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587422604 QZHWJZZCGOZWPK-HXPMCKFVSA-N 416.861 4.579 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C)c(N)c21 587472356 HDBMUNAFNJASFG-AREMUKBSSA-N 413.473 4.689 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cccc(F)c1)CC2 587570090 KEVJMYBNSRBTAU-QFIPXVFZSA-N 419.452 4.528 0 1 HJAF C[C@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583212 QZNXUGXTWOJCCM-JPYJTQIMSA-N 415.489 4.950 0 1 HJAF Cc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587612261 JAEPVBFULHRMTJ-NZQKXSOJSA-N 424.474 4.792 0 1 HJAF CC1(C)OCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587616824 MITCUSUUQCXQJU-REWPJTCUSA-N 404.418 4.740 0 1 HJAF CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619624 YJWUCGKUDYVSCH-DVECYGJZSA-N 420.417 4.513 0 1 HJAF O=C(c1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587622017 ULXMCMCVAZWXFA-UHFFFAOYSA-N 409.165 4.614 0 1 HJAF CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587705824 NOPMZTNENFXRGI-HWPZZCPQSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1 587731614 HRRPYRKVYKZDPR-PYDTXJQDSA-N 420.297 4.994 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1 587735624 YGYZLRPSEUCKGD-MPBGBICISA-N 418.285 4.711 0 1 HJAF C/C(=C\[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587738770 CRDSRTAPDCBYGW-MNTWGNPXSA-N 403.339 4.831 0 1 HJAF Cc1cccc(-n2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587762552 FWTLGDOSNMSDIO-SPLOXXLWSA-N 414.322 4.880 0 1 HJAF Cc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587773112 IBUSWVNJYCKESM-ZUOKHONESA-N 412.306 4.977 0 1 HJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807924 FJNUHCQWKOVNEO-ODXCJYRJSA-N 406.295 4.701 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C3OCCO3)c2)N1 587829311 BRSKYLGFSWMWEK-ZUOKHONESA-N 420.322 4.842 0 1 HJAF CN(C)[C@H](Cn1c(O)cc(-c2ccccc2)c1O)c1cccc(Br)c1 587939027 HADLGYUFRDDULJ-GOSISDBHSA-N 401.304 4.632 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 587953453 LRTLBGBAKKPYTQ-INIZCTEOSA-N 423.538 4.887 0 1 HJAF CC(C)[C@@]1(c2cc3ccccc3o2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628831 FZGRWQYTOVSBKC-LAUBAEHRSA-N 419.399 4.830 0 1 HJAF Cc1c(Br)cncc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962691634 AEYZQTJQJAFJGF-BFUOFWGJSA-N 407.352 4.745 0 1 HJAF CSc1cccc([C@@]2(c3ccc(F)c(F)c3)NCCc3c2c(C(C)C)nn3C)c1 962915308 HHDCIIHNKXCAJC-QHCPKHFHSA-N 413.537 4.981 0 1 HJAF C[C@@H](NC(=O)OCc1ccccc1)[C@H]1c2ccsc2CCN1Cc1cccnc1 962998795 VZXSSQHTWORBNG-VGSWGCGISA-N 407.539 4.557 0 1 HJAF Cc1cccc2c1[C@H](c1ccc3oncc3c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841354 MCAJONHPLQFSQT-GCJKJVERSA-N 422.481 4.862 0 1 HJAF O=C(Nc1nc2ccccc2n1[C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1 1772585660 IDJUAWMLSORTJP-WKILWMFISA-N 403.404 4.783 0 1 HJAF O=C(N[C@@H](c1ccccn1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1 1857650610 DHIYEBSGCJDNQX-FQEVSTJZSA-N 408.383 4.563 0 1 HJAF CC1=CC[C@H]2CCC[C@@]3(CCC[C@@H]3[C@@H](C)C=C[C@H](O)C=C(Cl)CCOC1=O)N2 2356342685 YETAKRZPZUKKMS-PDZUXIDASA-N 407.982 4.627 0 1 HJAF CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356406208 PUYCWXPLVBRWMS-XMSQKQJNSA-N 415.530 4.602 0 1 HJAF Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2CCC(=O)c2ccccc2)cc1 205715847 QPNZODZDDJZMFR-OAQYLSRUSA-N 405.519 4.778 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(F)cc1Cl 4153230 WBQSPRIOLYAWBI-TZIWHRDSSA-N 418.896 4.886 0 1 HJAF C[C@H](c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)N(O)C(N)=O 8536369 JVMAHSCWJIZBJE-CQSZACIVSA-N 417.444 4.776 0 1 HJAF in-vivo CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474865 QTRFYRFDHGEFHT-DEOSSOPVSA-N 420.509 4.604 0 1 HJAF Cc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1 13589116 HCLMFCKWJSNHFI-UHFFFAOYSA-N 416.565 4.786 0 1 HJAF Cc1cc(-c2c(F)cc3c(=O)c(Cc4ncc[nH]4)cn(C4CC4)c3c2F)cc(C)n1 25980096 MEIYMOMJZSSDSS-UHFFFAOYSA-N 406.436 4.607 0 1 HJAF CCc1oc(-c2ccccc2)nc1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 26578973 JYQSWIWVCUHYGT-ZHZULCJRSA-N 420.490 4.849 0 1 HJAF COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccccc4C)o3)cn(C3CC3)c12 64549046 JCUSSQJKXJWTNS-UHFFFAOYSA-N 424.407 4.725 0 1 HJAF COc1ccc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC 73389107 FUFHSLKNBJRCDG-RUGJYQHNSA-N 402.487 4.814 0 1 HJAF Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ncc(C)o2)c1 82173232 WOUCXCJFFJOOTP-UHFFFAOYSA-N 400.438 4.756 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5sccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632863 APFXRNZDZLAOPU-KSSFIOAISA-N 408.548 4.575 0 1 HJAF O=C(CC1CC1)N[C@H]1CC[C@H](c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167709898 PVGRKDYKRGNCSA-CXGRPWHSSA-N 418.541 4.572 0 1 HJAF NCCNc1cc(N2CCCc3ccccc3C2)nc2ccc(C(F)(F)F)cc12 205292862 CFQJELYFWIPTPL-UHFFFAOYSA-N 400.448 4.577 0 1 HJAF Cc1c(Cc2ccccc2)nnc(N2CCC(C)(c3nc4ncccc4[nH]3)CC2)c1C 208092782 ACGRNOUTQGLSMF-UHFFFAOYSA-N 412.541 4.514 0 1 HJAF Cc1nc(-c2cc(C(=O)N3CCC(c4ccn5cncc5c4)CC3)ccc2C)c(C)[nH]1 220776674 QVRRNFYIHFTSTA-UHFFFAOYSA-N 413.525 4.669 0 1 HJAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccncc3)cc2)C2CC2)CC1 223642095 XGJJVBLVZGMGHC-UHFFFAOYSA-N 421.541 4.753 0 1 HJAF OCC12CCC(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)(CC1)CC2 586895713 VJDQSUGYSOQPSS-UHFFFAOYSA-N 403.242 4.929 0 1 HJAF Oc1ccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)cc1 586896032 GQGKISCHDSVHCA-UHFFFAOYSA-N 408.093 4.873 0 1 HJAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(F)c(F)c4[nH]3)CC2)cc1 586955773 VCTBJOXVAXVMCB-UHFFFAOYSA-N 419.497 4.533 0 1 HJAF CCOc1cc(/C=C/c2nc3cccc(OC)c3[nH]2)cc(Br)c1OC 586977809 JABUKSCHCZXYMS-CMDGGOBGSA-N 403.276 4.912 0 1 HJAF CN(CCc1nc2cccc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194218 OJEYVYGLMNDLSE-UHFFFAOYSA-N 413.477 4.692 0 1 HJAF Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)ccc1C(F)(F)F 587275786 FXIZESLWTAJDAA-UHFFFAOYSA-N 414.177 4.641 0 1 HJAF Cc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333149 HTHQCNOOPYNMCU-ZCYQVOJMSA-N 419.452 4.986 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCCN2)[C@H]1c1ccc(F)cc1 587345659 JHSVBFGJCXJFRH-RMTZWNOUSA-N 417.480 4.928 0 1 HJAF CCCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587376557 JICBJXCIJNFDDC-KRWDZBQOSA-N 420.303 4.844 0 1 HJAF CCCOc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417923 NKYXQXXAEHJGSR-FOIQADDNSA-N 403.272 4.735 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(Br)sc41)[C@@H](C2)C3=O 587453121 QFHLRILWVAKRLN-JEOXALJRSA-N 420.328 4.530 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CC3(C[C@@H]2C1)OCC(C)(C)CO3 587491023 MUKYQSFBMWCMDG-HOTGVXAUSA-N 400.515 4.638 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC(F)(F)F 587552676 BEDHBCDYBDJRIP-FXAWDEMLSA-N 402.324 4.994 0 1 HJAF Cc1ccc(/C(=C\N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574829 ZATJCJOXHXSXEF-GNMKTDBDSA-N 401.462 4.634 0 1 HJAF O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621777 IYSITEUDHNSODV-UHFFFAOYSA-N 404.651 4.754 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587731112 KHIVVWKCRUXXKA-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 587734921 SQAXZSVDZWGWFT-BIBXISHDSA-N 418.285 4.845 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)nc2)N1 587766923 OYHVUZYRVRNJLO-RBZFPXEDSA-N 404.327 4.597 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799677 UEAVKBCNXGNBFY-XCLFUZPHSA-N 412.343 4.851 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824103 UFCMIZYSVWGKRN-LBJGKRIESA-N 402.307 4.517 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(=O)c1ccccc12 587826885 JREBAIQYOXXIMF-ZDUSSCGKSA-N 422.297 4.959 0 1 HJAF CC(C)CSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587844654 LUQILLQBAPLTDR-GTNSWQLSSA-N 410.356 4.750 0 1 HJAF Cc1ccc(Cl)c(OCn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587872595 PAUKTPOIORLDCV-UHFFFAOYSA-N 424.819 4.678 0 1 HJAF CC(C)(C)[Si](C)(C)N1C(=O)C[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1 653720235 CYDFLTCVWUSXPP-HXUWFJFHSA-N 410.590 4.824 0 1 HJAF Cc1cc(C)c(C(=O)C[C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962973375 VZDKXXYVEFZTHP-KSFYIVLOSA-N 421.871 4.631 0 1 HJAF Cc1nn(-c2ccccc2)c(O)c1C(=O)C[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963114454 SZUGEBJEMOOXQH-NLFFAJNJSA-N 419.500 4.534 0 1 HJAF CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(=O)O)c2c1-c1cccc(O)c1 1857614891 ONDQNYUFBVJMQS-QGZVFWFLSA-N 419.506 4.734 0 1 HJAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356402405 GMAUEXPAYZYHFY-IXHLZNBYSA-N 404.635 4.940 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4207505 ORAPIMIRGJILJP-TZIWHRDSSA-N 412.848 4.523 0 1 HJAF O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1 4238486 TWVCKKGIHHEMBX-UHFFFAOYSA-N 412.474 4.756 0 1 HJAF aggregator O=C(O)c1ccc2c(c1)[C@@H](SCCNC(=O)c1ccccc1)c1ccccc1CO2 13726985 RJJYEHHSPBXLJG-QFIPXVFZSA-N 419.502 4.530 0 1 HJAF C[C@H](CO)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 14455238 ZLTABHWOTHYCCO-AWEZNQCLSA-N 420.461 4.551 0 1 HJAF biogenic COc1ccc(-c2c3c(nc4cc(OC)c(OC)c(OC)c24)CCCC3)cc1OC 26667210 NPDCAMYTYITWOL-UHFFFAOYSA-N 409.482 4.824 0 1 HJAF CO[C@H](C)C(=O)N(c1ccccc1Cl)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26734559 GXUBZESBVOAOLU-JQVVWYNYSA-N 414.977 4.661 0 1 HJAF COc1ccc([C@]2(Cc3ccncc3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29471988 LYFJUEFLHDDPGU-SANMLTNESA-N 414.505 4.893 0 1 HJAF O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@H]1CCN(c2ccnc3ccccc23)C1 45201083 NBPDGXFMISUSSA-HNNXBMFYSA-N 416.403 4.534 0 1 HJAF O=c1c(CN(CCO)C2CCCCC2)coc2cccc(OCC3CCCCC3)c12 95561246 BTBZYRIJYGXTNK-UHFFFAOYSA-N 413.558 4.879 0 1 HJAF COc1ccccc1CN1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878559 LQFBZQYXVHLUGY-YMVVMYQSSA-N 418.512 4.851 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2ccc(C)cc2C)nn1C 103192064 AYLQSPIMCXPWNM-PXLXIMEGSA-N 420.509 4.752 0 1 HJAF C[C@@]1(O)CC[C@@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1 144077145 BRVHEKADILFBGL-CRICUBBOSA-N 413.477 5.000 0 1 HJAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1 169694921 SZWWTIDHPCRSNF-SFTDATJTSA-N 421.537 4.881 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)NCc1ccccc1 169720781 LQXPLQZAVHAHQZ-WOJBJXKFSA-N 413.308 4.818 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1C/C=C\c1ccc(O)cc1 222629253 DAWRUANGYYPWBR-IHWYPQMZSA-N 420.461 4.589 0 1 HJAF Cc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1ccccc1 261095871 FJAKCXRNHPAFKC-SMQSCJQKSA-N 400.482 4.708 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(CCc5cccc(O)c5)[nH]c4c3)o2)cc1 586896557 UDOPHTAKHFXKRZ-UHFFFAOYSA-N 412.449 4.779 0 1 HJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 586980569 APXKYBGSXYGBKY-UHFFFAOYSA-N 408.259 4.673 0 1 HJAF O=Cc1cc(Br)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586982965 SSEBGPNBYXGIMH-UHFFFAOYSA-N 416.019 4.846 0 1 HJAF CCS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586994513 VVVBSFPCCIUVEE-UHFFFAOYSA-N 415.470 4.612 0 1 HJAF Fc1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587004877 AVPBCWOMPBVMDE-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF FC(F)(F)Sc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008161 IQGDHUSOVXLKTI-UHFFFAOYSA-N 414.210 4.647 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCc4ccccn4)c(C)c1)[C@@H](C2)C3=O 587437286 ZCMFOFNANUEFML-NBGIEHNGSA-N 401.462 4.775 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)c(C(=O)OC)c1)CC2=O 587474190 FNHJEMZNQQALSI-QHCPKHFHSA-N 423.509 4.828 0 1 HJAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21 587552766 SJMGQYLYCYWZBS-RXVVDRJESA-N 406.825 4.635 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)s1 587612247 LNKYLOFOBAFLDE-CRAIPNDOSA-N 403.253 4.919 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)S1 587620528 ZHYRIDOHAZNKMK-KKSFZXQISA-N 421.478 4.535 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl 587692829 LUTBZGPEPGHAGV-DYBLOJMWSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3)c2)N1 587763257 IMIKGUOPJITBMV-RNODOKPDSA-N 400.295 4.572 0 1 HJAF Cc1cc(C)c2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837353 GASYBCPQJFTVAM-CWTRNNRKSA-N 416.290 4.935 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1 587847616 UWBQQVMCKZWHBT-ZMZPIMSZSA-N 423.351 4.986 0 1 HJAF CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587852134 DJDSAZSXSYYUEN-LDOYSUHVSA-N 424.335 4.656 0 1 HJAF CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869377 IIEFFBPMWCSRDU-ZDUSSCGKSA-N 414.497 4.912 0 1 HJAF CC1=C(c2ccc3nc(Cc4ccc(-c5ccccc5C)cc4)[nH]c3c2)NNC(=O)C1 587958615 BOUWRKJRCUXZLB-UHFFFAOYSA-N 408.505 4.885 0 1 HJAF Cn1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(C(C)(C)C)n1 962642096 UGKXJNZQFUETOB-QPPBQGQZSA-N 400.570 4.554 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@](c2cccnc2)(c2c[nH]c3ccccc23)N1)C(F)(F)F 962728674 FKPXQFWAQMXORT-FYYLOGMGSA-N 421.422 4.501 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC(C)=O)cc2)(c2ccco2)N1 962955325 MEHBCROFCFXUOA-AVRWGWEMSA-N 400.478 4.902 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](c1ccc(C)o1)(C(C)(C)Br)NCC3 963039088 TVKZHQACJUQNHU-NRFANRHFSA-N 415.331 4.708 0 1 HJAF CCCCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccc(C)cn12 1857591245 IPDAINWZIVBTSR-UHFFFAOYSA-N 419.312 4.732 0 1 HJAF CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@@H]3CC[C@@](C)(C[C@@H]23)[C@H]1C=COC(=O)C=C(C)C 2356624527 FXXKPLFBIHAEOU-SYZMDVMGSA-N 416.558 4.651 0 1 HJAF COC(=O)C=C(OC)[C@H](C)[C@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)OC 2356669728 LRTJMINIVSPVMX-CJNGLKHVSA-N 422.572 4.758 0 1 HJAF O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 13478306 JPZOTGNIUZTQCM-MRXNPFEDSA-N 416.321 4.534 0 3 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](NC(C)=O)c3ccccc3)n2)c1 61895832 GCYRVLMSCICCMJ-NRFANRHFSA-N 407.539 4.518 0 3 HJAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 777004 IMQQFWGNTLCJLV-UHFFFAOYSA-N 420.843 4.689 0 1 HJAF CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1 13441318 YHQGUYGNJMOBOA-UHFFFAOYSA-N 411.571 4.947 0 1 HJAF COc1cccc(C2=NN(C(C)=O)[C@@H](c3cc4ccccc4nc3Cl)C2)c1OC 20032696 DFPPWXMKSLEOTK-LJQANCHMSA-N 409.873 4.603 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(F)cc1 27556733 XBEXHWPCLKUYDD-NPJAONGWSA-N 400.490 4.761 0 1 HJAF Cc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCCC3)ccc2F)c1C 34855199 ABJYBOZXCYEWFC-UHFFFAOYSA-N 418.534 4.696 0 1 HJAF CC1=C(CC/C(=C\C=C\C2=CC(=O)O[C@H]2O)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38938373 IECRVGMSVPJFRV-UHEYQGPOSA-N 400.559 4.986 0 1 HJAF O=S(=O)(c1ccccc1Cl)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 45337562 OSSLUTNSFXHFRM-UHFFFAOYSA-N 416.852 4.938 0 1 HJAF CCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O 45495464 DEFFFKJRIRMECG-UHFFFAOYSA-N 405.542 4.728 0 1 HJAF Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2 63298227 DCTBPIBEQFLAOQ-UHFFFAOYSA-N 401.495 4.992 0 1 HJAF CN(C(=O)c1cccc(Cl)c1)[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 95591815 BKAYOILNIKLHMI-OALUTQOASA-N 405.325 4.807 0 1 HJAF C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O 114914204 WOQTXQOMVPEQHH-XOBRGWDASA-N 422.294 4.769 0 1 HJAF CC(C)c1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167725842 BJXJEYQUUUREFR-UHFFFAOYSA-N 401.510 4.615 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169370517 GZGRNURZGJTHEM-SMIYNLNTSA-N 402.623 4.725 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3cnc4ccccc43)c12 225374543 XAHJWGOHTQLOMU-UHFFFAOYSA-N 410.437 4.730 0 1 HJAF CCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1 473106913 ZISOUEKJJLDSFS-UHFFFAOYSA-N 401.923 4.691 0 1 HJAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(I)cnc2[nH]1 586896193 KEHRJRSIDUIVIK-UHFFFAOYSA-N 413.218 4.602 0 1 HJAF CCCn1cnc2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc(Br)c21 587003648 LDJPKZWFIQMZFI-UHFFFAOYSA-N 417.238 4.589 0 1 HJAF FC(F)(F)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587041128 VVBQIEWDNHHNBX-UHFFFAOYSA-N 401.211 4.644 0 1 HJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 587065862 APTNGBBRWGZNFX-UHFFFAOYSA-N 406.917 4.815 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C(=O)O)cc3F)cc1)O2 587386134 SDALHBZDCUDJKP-XMMPIXPASA-N 405.425 4.962 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(C(=O)OC)c1)CC2=O 587459922 ZQMQMDPIBOQRLI-SFHVURJKSA-N 419.271 4.600 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)ccc12 587544916 LJKCWTMLBCNUHN-DENIHFKCSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ncccn2)cc1 587589557 YBNGLZBXEWTOPZ-OFNKIYASSA-N 412.401 4.677 0 1 HJAF COc1ccc([C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587590195 BBZFGWJONSCFMU-JCVZSFDNSA-N 420.461 4.933 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1 587717103 FLHCHYNKQGCKHC-QVHKOIDPSA-N 420.175 4.581 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587744656 SDYTYWQLVYWOLR-ZSEKCTLFSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1 587760532 KVSOHDPLULUUFO-PZPWOCDFSA-N 403.339 4.612 0 1 HJAF CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797685 MVEIUHUHXIEWPF-XIKOKIGWSA-N 400.332 4.707 0 1 HJAF COc1cccc(C[C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587809930 RVNZJXCOCLTXRB-YEJXKQKISA-N 404.323 4.979 0 1 HJAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587833365 GELOSBURUCCRIW-XXRNEEKGSA-N 406.295 4.771 0 1 HJAF COc1cccc2c1OCC([C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 587836161 RZNBSJKJQBDPOF-GTJPDFRWSA-N 418.306 4.822 0 1 HJAF CCN(c1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)cc1)S(C)(=O)=O 587922267 AIASSMLDLUQZQU-UHFFFAOYSA-N 424.950 4.979 0 1 HJAF Cc1cc2c(n1-c1cc(Br)cnc1Br)CC(C)(C)CC2=O 587939060 BGAVEUDSVHRTQA-UHFFFAOYSA-N 412.125 4.861 0 1 HJAF C[C@@H]1CC[C@](C)(CNC(=O)CCCc2cn[nH]c2)C[C@H](c2ccccc2)C[C@@H](O)C1 618017059 XCIMFDUAXRAYQZ-BRXVMWLGSA-N 411.590 4.600 0 1 HJAF COc1cccc2c(N[C@H](C)c3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797928 SSKAGUSOMHPRBD-OAHLLOKOSA-N 410.481 4.733 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@]1(c1cccnc1)c1ccc(F)c(C)c1 961324670 NAJUUSRHWPNTIM-AREMUKBSSA-N 420.528 4.724 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(Cl)c2)C(=O)OC)cc1 1772570439 WEMXZTLBHXXCBV-OPAMFIHVSA-N 417.933 4.728 0 1 HJAF CCCCCCNc1cc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772607807 KLWZLAHWDCVBRC-UHFFFAOYSA-N 400.567 4.750 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1/C=C\C(C)(C)C 1772629744 DXVFLJBDMVFCLI-SEYXRHQNSA-N 400.523 4.608 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C(=O)OC)cc1 1772630187 DFPGTBQSUDPBSU-OPAMFIHVSA-N 417.933 4.728 0 1 HJAF COc1cccc2sc(NC(=O)c3ccc(OC(F)F)c(OCC4CC4)c3)nc12 1857762033 WQGYVZFLSOGSRF-UHFFFAOYSA-N 420.437 4.947 0 1 HJAF CSc1cccc(CN2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)c1 14977515 OTHYTUBWKGPGTK-UHFFFAOYSA-N 410.583 4.688 0 3 HJAF C[C@@H](Cc1c[nH]c2cc(Br)ccc12)NC[C@H](O)c1cccc(Cl)c1 13488829 AMXCZKDZJXBRRY-BUXKBTBVSA-N 407.739 4.838 0 1 HJAF Cc1csc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 13610438 ZQWZTGULGCIKLX-UHFFFAOYSA-N 403.511 4.890 0 1 HJAF C=C[C@]1(C)C[C@](O)([C@@H]2O[C@]2(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21 14823603 DWOGRBCRLCTXJF-ZGFBMJKBSA-N 410.510 4.920 0 1 HJAF biogenic CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c1C(=O)NC2 14945238 KGHWFSYOYLGMQN-UHFFFAOYSA-N 414.465 4.508 0 1 HJAF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 29129568 YQDYAZHYJJTLPO-DNVJHFABSA-N 407.441 4.592 0 1 HJAF C[C@H](C(=O)O)N1CCN(c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)C1=O 40401889 QSOMLQDVOVKGQI-GOSISDBHSA-N 416.477 4.648 0 1 HJAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cncc5ccccc45)cn23)cc1 82082654 UUQPYLWZFCRFKN-UHFFFAOYSA-N 423.520 4.942 0 1 HJAF Cc1ccc(CNC(=O)[C@H]2CCCN2c2nc(-c3ccc(F)cc3F)cs2)cc1 82195661 SRURXANIAAQVOK-HXUWFJFHSA-N 413.493 4.682 0 1 HJAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccc(Cl)cc2)o1 103204758 LQQVTHLMEQJKFN-UHFFFAOYSA-N 400.825 4.756 0 1 HJAF CC(C)c1cc2c(N3CCC(COCC[C@H]4CCCCN4C)CC3)ncnc2s1 146426957 XGVSJGUVIVDCEK-LJQANCHMSA-N 416.635 4.922 0 1 HJAF CN(C)c1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1 165926870 GJVZLKGLBGBZFC-UHFFFAOYSA-N 400.482 4.553 0 1 HJAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1 169694905 JTNUDEAZOXGMDZ-SFTDATJTSA-N 407.510 4.707 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H](C[C@H]5[C@@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 255243889 NEMWYOKGHGSVSC-QDLSVGECSA-N 415.662 4.563 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 586916199 LEENKQIVPWIWQZ-BFUOFWGJSA-N 403.251 4.681 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(Br)cc1 586984164 CJAFWCPSXNBQDN-OAHLLOKOSA-N 406.711 4.707 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587109920 XBKIPVLSCXJVFC-UHFFFAOYSA-N 421.119 4.988 0 1 HJAF Fc1c(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1F 587117215 FGXDUUHFPAAMBJ-UHFFFAOYSA-N 421.167 4.745 0 1 HJAF COc1cccc2c1CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354943 WDNBEUNMCFLSIL-NOZRDPDXSA-N 404.437 4.827 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](CC=C(C)C)C(=O)c2ccccc21 587479298 HTNYLQXACBPXQX-AFMDSPMNSA-N 418.489 4.943 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@H](CC)C(=O)OCC)CC2=O 587480575 DSRHHKKTLKENCC-IRLDBZIGSA-N 412.482 4.772 0 1 HJAF COC(=O)CCC[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525496 PJFYMDZGKFICGP-RUZDIDTESA-N 408.494 4.778 0 1 HJAF CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527690 VLLLTXHWCORNAP-VWLOTQADSA-N 403.478 4.861 0 1 HJAF CCOc1ccc(OCC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587593797 FAORGZIAPGIYLD-URXFXBBRSA-N 406.434 4.893 0 1 HJAF O=C(c1cc2c(s1)CCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656988 ORBQCWAOIZPPPH-UHFFFAOYSA-N 408.429 4.580 0 1 HJAF Cc1c(Br)cncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587681156 JIMUDROFEHMBMJ-VPTHRUTESA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2-n2cccn2)N1 587719660 LLDRVENMDQULCN-ZMZPIMSZSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ccc(F)cc2)N1 587736651 WQVQYFIUHQBZDQ-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cccc(N)c12 587748714 XWQFFGCRKYOCMT-YTEVENLXSA-N 409.302 4.977 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccncc2)N1 587752391 CSBXCXLMSKXUKW-LHSJRXKWSA-N 414.322 4.651 0 1 HJAF COC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587804151 CICJFYWBKNUJEI-HXPMCKFVSA-N 406.295 4.583 0 1 HJAF Cc1ccc(-c2nn(-c3nc(-c4cc5ccccc5oc4=O)cs3)cc2C=O)cc1 653784869 UVTBPKJHHWCOGN-UHFFFAOYSA-N 413.458 4.890 0 1 HJAF Cc1c(F)ccc2c1[C@@H](C[C@@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C)NCC2 962297603 KCTNFLLHRJAAGV-TZIWHRDSSA-N 416.512 4.986 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1nc(Br)cs1 962394786 BIFPQQNXWKKTKV-KRWDZBQOSA-N 408.390 4.627 0 1 HJAF CCOC(=O)CC[C@]1(c2cccs2)c2cccc(F)c2CCN1[C@H]1CCSC1 962692466 BMDOMMJBVPAEIQ-KSFYIVLOSA-N 419.587 4.838 0 1 HJAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)C(C(C)C)(C(C)C)N2C(=O)OC(C)(C)C 962703053 DZQVLDAUDOHLNA-HSZRJFAPSA-N 419.537 4.984 0 1 HJAF CNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1 1911579339 TYLJCVXTYLPRPG-UHFFFAOYSA-N 421.585 4.949 0 1 HJAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32CO)N2C[C@H](C)CC[C@H]12 2356533653 NMFWDNZLNHRNAT-GASLOSHVSA-N 413.646 4.627 0 1 HJAF CC1=C[C@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356575724 YIBSDJRDIBRCNU-ZDXQCDESSA-N 423.601 4.899 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCCC2)[C@@H]1c1c[nH]c2ccccc12 2469321 NHESVOSAMPVXMO-ZEQRLZLVSA-N 415.537 4.917 0 1 HJAF O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2ccccc2oc1=O 4176331 YUFKCLDYHIEDTJ-UHFFFAOYSA-N 405.460 4.779 0 1 HJAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 5438497 OZZAYJQNMKMUSD-XNWMKJFUSA-N 416.558 4.931 0 1 HJAF Cc1nn([C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2c1sc1ccccc12 6799140 RBOOYXFPJQGLPE-HNAYVOBHSA-N 417.534 4.674 0 1 HJAF CC(C)C1=N[C@](C)(C2=N[C@@](C)(C3=N[C@@](C)(c4nccs4)CS3)CS2)CS1 14594362 AAZNLXXTBVTBKQ-FGTMMUONSA-N 424.686 4.968 0 1 HJAF biogenic Oc1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)nn1Cc1ccccc1Cl 28765583 CQRBXJONPOVKKK-UHFFFAOYSA-N 410.779 4.629 0 1 HJAF CCn1c(C(=O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40565708 XQTYAGSVZORQOE-UHFFFAOYSA-N 414.799 4.801 0 1 HJAF CC[C@@H]1Nc2ccc(C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 40639736 SKOKNDQISYIJPD-HSZRJFAPSA-N 424.508 4.646 0 1 HJAF COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCC(C)CC1 40764464 PQWXDMBISCIQQX-UHFFFAOYSA-N 420.553 4.545 0 1 HJAF COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1 40915769 ISSGVAQXZMSDSW-UHFFFAOYSA-N 413.612 4.999 0 1 HJAF in-vitro Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnn4)CC3)c2)nc1 66112313 FMUMFKBQHUIZKV-UHFFFAOYSA-N 401.470 4.684 0 1 HJAF COc1cccnc1COc1ccc(-c2nn(CCCF)cc2-c2ccncc2)cc1 73161685 LDCRWOCHZOKPCU-UHFFFAOYSA-N 418.472 4.954 0 1 HJAF CN(C(=O)c1cccc(Cl)c1)[C@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 95591817 BKAYOILNIKLHMI-MOPGFXCFSA-N 405.325 4.807 0 1 HJAF COc1ccccc1CN1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95878561 LQFBZQYXVHLUGY-LJGDZFJRSA-N 418.512 4.851 0 1 HJAF Cc1ccc(-n2c(S)nnc2-c2csc(NC(=S)Nc3ccccc3)n2)cc1 96282321 XZULQNOEGSOKMJ-UHFFFAOYSA-N 424.580 4.797 0 1 HJAF FC(F)(F)c1ccccc1NCn1nc(-c2ccc3c(c2)OCCO3)oc1=S 96935188 CYEJMQPXYNJBBI-UHFFFAOYSA-N 409.389 4.732 0 1 HJAF CNc1nc(NCCCN(C)C)c2sc(-c3cccc(C(F)(F)F)c3)cc2n1 103263064 FHRUAEZWVWWDDU-UHFFFAOYSA-N 409.481 4.782 0 1 HJAF CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697228 LOLIGPMPSPGNGJ-SBHAEUEKSA-N 414.590 4.706 0 1 HJAF CCOc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729854 VJHNXBIMUUPOLB-RTWAWAEBSA-N 414.889 4.748 0 1 HJAF COc1ccccc1Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 210731250 PSTZKXKKOSCPOI-CQSZACIVSA-N 402.458 4.593 0 1 HJAF COc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 261122765 JUNSASVZVKBFQH-BLTAGBQOSA-N 422.569 4.547 0 1 HJAF CCN1CCN(CCC=C(c2sccc2C)c2sccc2C)C[C@@H](C(=O)O)C1 299867042 PRRDPNJUFXZHRP-SFHVURJKSA-N 418.628 4.587 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2c1 586905394 NNJVKEUZQVAKAP-UHFFFAOYSA-N 409.511 4.829 0 1 HJAF Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br 586983562 DMMLGKWNPCZSGN-ZDUSSCGKSA-N 409.125 4.639 0 1 HJAF CN(C)CCOc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586995108 DCDYZLGCWMIQHR-UHFFFAOYSA-N 418.335 4.580 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006501 LTTGMXDCUGZWRD-UHFFFAOYSA-N 406.081 4.711 0 1 HJAF Cc1nc(C)c(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1 587011454 GWGPEJOCMHJXLW-UHFFFAOYSA-N 406.227 4.888 0 1 HJAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587043398 QHUAVOQZCWRSOD-NSHDSACASA-N 402.745 4.599 0 1 HJAF CC(C)[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197748 MCGNGDUGFUSHBW-GFCCVEGCSA-N 417.735 4.938 0 1 HJAF CC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 587229268 CXWMXQFWRPDGPF-UHFFFAOYSA-N 406.486 4.730 0 1 HJAF Nc1cc2c(cc1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327831 HRXZKAZSGTYJEP-JTHBVZDNSA-N 409.844 4.968 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1c(N)sc3c1CC[C@@H](C)C3)O2 587413656 IGVGDQADEOAOMU-SFDCACGMSA-N 408.523 4.848 0 1 HJAF CCNC(=O)c1cccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587431936 IPSPDIXMHVJKEK-PXDATVDWSA-N 413.473 4.601 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Br)cccc1OC)CC2=O 587456243 LKWFFMIANAFEQC-HXUWFJFHSA-N 405.288 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1C(=O)OC)CC2=O 587457646 LXTHCUJYNKIMBL-GOSISDBHSA-N 419.271 4.600 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(F)cc(Br)cc31)CC2=O 587472830 VUFKWDJWXCEWPK-HXUWFJFHSA-N 421.262 4.890 0 1 HJAF O=C1C[C@@H](c2ccc(I)c(O)c2)Oc2c1ccc1c2CCCC1 587501391 CLBCLOARBCHBLX-SFHVURJKSA-N 420.246 4.582 0 1 HJAF CN(Cc1ccccc1Cl)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587502694 DNDDRZPLTGSKDP-XMMPIXPASA-N 411.929 4.991 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1 587581411 LARBXHKMPQPXDS-QATBIIFWSA-N 404.466 4.721 0 1 HJAF CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622285 IDESRALTHBZUKV-UHFFFAOYSA-N 406.186 4.677 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncc(Br)c2)N1 587686247 SQSSQWJTKRVSTA-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587789702 BHSHMBKKIAIFAE-MPBGBICISA-N 400.295 4.910 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1OC 587858555 KEPAERBSZYTAHD-UHFFFAOYSA-N 421.280 4.983 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3C3(c4ccsc4-c4sccc43)N12 962659097 FNIHYUDBGJAPPN-JOCHJYFZSA-N 418.543 4.729 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@]2(Cc3ccccc3Nc3ccccc32)N1)C(F)(F)F 962720155 ZBJSPUCINAIQEL-JTHBVZDNSA-N 408.423 4.876 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@]12c1ccccc1C(=O)c1cc(C(=O)O)ccc12 963234304 VECHANWNAAODDM-CBZJRKILSA-N 411.501 4.878 0 1 HJAF COC(=O)c1ccc(-c2cccc([C@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)c2)cc1 963637571 STFYYSRBTZMEFG-PUAOIOHZSA-N 417.505 4.781 0 1 HJAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773567 OEINVCIPLCWOPZ-IBGZPJMESA-N 422.481 4.543 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3831451 RYMZZMVNJRMUDD-LWNGLWLWSA-N 418.574 4.586 0 1 HJAF in-vivo COc1ccc(-c2nn(C)c3sc(C(=O)Nc4cccc(F)c4)cc23)cc1OC 6724177 ZSNOPNQJFNEGDV-UHFFFAOYSA-N 411.458 4.710 0 1 HJAF COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1 26725553 OQUMXKSLIFCBJZ-CABCVRRESA-N 415.440 4.564 0 1 HJAF CCCCc1nc2c(C)cncc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 27320474 UXTOJBHDQIOJEI-UHFFFAOYSA-N 423.524 4.978 0 1 HJAF NCc1ccccc1C1(O)CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 28817215 CDEAWNFIVOWFEA-XMMPIXPASA-N 406.957 4.872 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116824961 HWBHNCKNXGKGOR-CJFMBICVSA-N 420.516 4.648 0 1 HJAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3ccc4ccccc43)c2)c1 201543322 GPMPRCWKFVUNFH-UHFFFAOYSA-N 411.465 4.754 0 1 HJAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586941185 QKUWWKYDTYNAKB-YPKPFQOOSA-N 419.506 4.754 0 1 HJAF O=S(=O)(NCCc1nc2cc3ccccc3cc2[nH]1)c1c(Cl)cccc1Cl 586941735 AYSZLEDZBGGSLH-UHFFFAOYSA-N 420.321 4.544 0 1 HJAF Cc1ccc(-n2cnnc2SCc2nc3c(C)cnc(Cl)c3[nH]2)cc1Cl 586967873 GSTGWJVZYYGRMJ-UHFFFAOYSA-N 405.314 4.755 0 1 HJAF Cc1nc(-c2ccccc2)sc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587012977 WYWZERGAJMFHMN-UHFFFAOYSA-N 409.824 4.999 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(Br)c(Br)cc2[nH]1 587013829 ZEKDDQDNZZWVCZ-UHFFFAOYSA-N 416.142 4.746 0 1 HJAF Fc1c(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F 587042940 WERBRKQGYFGNLA-OLZOCXBDSA-N 410.287 4.550 0 1 HJAF O[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl 587058973 KFTKZUBSRCWSFA-ZDUSSCGKSA-N 421.600 4.959 0 1 HJAF Cc1ccc2c3c(c4c(nc13)-c1cccc3c1N(CC3)C(=O)C4)-c1ccccc1C2=O 587097081 OTOBYAFNTOGYRT-UHFFFAOYSA-N 402.453 4.867 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)C(F)(F)C1 587132235 NUGTXPPYYBCSBP-VIFPVBQESA-N 409.330 4.690 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2c1 587147396 PWAOJLBHMSQGGK-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF O=C(Cc1cccc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 587276237 KJRCDRHKGACJQT-UHFFFAOYSA-N 414.177 4.527 0 1 HJAF Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F 587332892 TVHVUSIHHDKJDR-UYAOXDASSA-N 420.362 4.558 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)O2 587379860 LLNVERDTXFLPIS-INIZCTEOSA-N 403.866 4.679 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1Br)[C@@H](C2)C3=O 587413692 PAPJUDHFFDCTIE-LIRRHRJNSA-N 407.691 4.860 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(Br)c1OC(F)F)[C@@H](C2)C3=O 587419501 CLFFAWRCQJXDSO-ZBEGNZNMSA-N 411.198 4.548 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587443707 LZYPAIDVGHVTJF-FDDCHVKYSA-N 421.493 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O 587472143 XMNZENKQOQESCH-NPMXOYFQSA-N 403.519 4.764 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1F 587554522 DOUKZFFXDWXGOU-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575979 LRPQLIQVAWTQRU-BWKNWUBXSA-N 412.445 4.538 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC1CC1 587591189 GEEGAKYQEYCYEA-RCZVLFRGSA-N 418.445 4.893 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(C(F)(F)F)cs1 587655293 AOHUWCBTWXVHAM-UHFFFAOYSA-N 409.339 4.806 0 1 HJAF Cc1cc(C)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587659783 DCLXUSFUCSPYJO-UHFFFAOYSA-N 416.452 4.847 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Br)N1 587684184 YMGCGNZIJFUQPU-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COCC(F)(F)F)o2)N1 587711481 KRLRJZWADJIKIQ-JDNHERCYSA-N 422.216 4.884 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587728556 FIRMIGWBGPDCMA-HOGDKLEQSA-N 422.248 4.880 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)n2)N1 587738236 LRQSNMKRBSJDEM-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742454 RKMIWGOZRFHSAG-BZNIZROVSA-N 415.347 4.809 0 1 HJAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754189 DEAGSOXKPUJMLB-QKVFXAPYSA-N 417.322 4.973 0 1 HJAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587787888 SGHMBLHRKOWQAC-UHFFFAOYSA-N 400.482 4.527 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C)ccc1C 587862214 HVAZZZXLEFNBOH-UHFFFAOYSA-N 404.388 4.914 0 1 HJAF COC(=O)c1cc(-n2c(O)ccc2OC(C)(C)C)c(Cl)cc1Br 587937654 URITVIXRAKIYCF-UHFFFAOYSA-N 402.672 4.563 0 1 HJAF CCOC(=O)[C@@H](C)[C@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 962997963 NDKHZFZHDJKKLQ-OPAMFIHVSA-N 412.580 4.706 0 1 HJAF CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ccc1N 1857606264 HOLYWGUNGJZIDQ-UHFFFAOYSA-N 411.461 4.826 0 1 HJAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@@](C)(CC=C(CO)C1)CC[C@@]2(OC(C)=O)C(C)C 2356649038 XNKTXYIUQKEKBK-JLLPCOHGSA-N 406.563 4.731 0 1 HJAF CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 95569062 GBMMLRTZTUHUIF-BVAGGSTKSA-N 419.521 4.582 0 3 HJAF O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(C(F)(F)F)ccc21 578764 DMTYWFWKUOCEKE-UHFFFAOYSA-N 414.387 4.669 0 1 HJAF CC(C)(C)c1cc(/C=C2\CCN(c3ccncc3)S2(=O)=O)cc(C(C)(C)C)c1O 13558274 UPVFSPIUJJDIPJ-QGOAFFKASA-N 414.571 4.963 0 1 HJAF O=Cc1ccc([C@@H]2[C@@H](CCCc3ccc(O)cc3)C(=O)N2c2ccc(C=O)cc2)cc1 28095498 RKUJXHCCZBZNMI-JWQCQUIFSA-N 413.473 4.744 0 1 HJAF O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cccc2ccccc12 28821346 USZMCEOIEOTIGM-UHFFFAOYSA-N 423.354 4.997 0 1 HJAF in-vivo O=c1c(-c2cccc(Cl)c2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO 29209175 MVCDZIOLUYTOKB-UHFFFAOYSA-N 402.881 4.890 0 1 HJAF COc1ccccc1-c1ccc(Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40975459 ATERWDADHHMHGZ-UHFFFAOYSA-N 401.451 4.944 0 1 HJAF Cc1cccc(-n2nccc2[C@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)c1 45284664 LANYDHHNXHMKRT-GOSISDBHSA-N 409.964 4.571 0 1 HJAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccn[nH]1 45336911 POXUUHTUGLWMIK-UHFFFAOYSA-N 411.433 4.619 0 1 HJAF CCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1 45351528 NSZMMTQRGQBJNB-UHFFFAOYSA-N 420.597 4.585 0 1 HJAF Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1O 45387112 YVULDVDQRKNGCM-UHFFFAOYSA-N 421.682 4.853 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@H](C(C)C)CC[C@](C)(O)[C@@H]1O2 59873312 OQZVJZANQOAJDB-SDKAYTNVSA-N 424.537 4.878 0 1 HJAF biogenic CCCN(CCC)C[C@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 73169441 QBXJZIPXHOHCMS-NRFANRHFSA-N 401.522 4.503 0 1 HJAF COc1cc(Nc2cccn([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 95571922 YAWFYGTVVURIHY-KRWDZBQOSA-N 418.472 4.843 0 1 HJAF C[C@@H]1[C@H]2[C@@H](O)C[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 137919583 RTCXOPGJLHDJMS-WWIGHFTFSA-N 414.678 4.672 0 1 HJAF Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(N[C@H](C)c2cc(-c3ccccc3)no2)n1 139798272 RGNIKUNQZYZDCX-CQSZACIVSA-N 401.474 4.957 0 1 HJAF COc1ccc([C@@H]2/C=C/CN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 169300617 QCZPYHKLKNCXSP-NFOSPISASA-N 410.533 4.822 0 1 HJAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586921428 IACYVEVFENRNTR-UHFFFAOYSA-N 406.507 4.526 0 1 HJAF COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1C 586966151 HNRAKCWDUGWHNB-UHFFFAOYSA-N 405.527 4.689 0 1 HJAF Cc1nc(N2CCCCC2)ncc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987573 CTBZJFUUVMSRMF-UHFFFAOYSA-N 422.488 4.908 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccnc(Br)c2[nH]1 586996698 SNDZWEXWDHVNIU-UHFFFAOYSA-N 411.097 4.797 0 1 HJAF Cc1ccc2c(ccc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c32)n1 587019786 WGYSBUORQFESSA-UHFFFAOYSA-N 405.508 4.781 0 1 HJAF Ic1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023320 IOVXIKDPEWSNSI-UHFFFAOYSA-N 403.248 4.958 0 1 HJAF Nc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)sc2cc(Br)ccc12 587032490 UAWWVGDNHQMJIY-UHFFFAOYSA-N 406.236 4.627 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCO3)O2 587376446 CXCMKUYIHQBFFD-QHCPKHFHSA-N 407.853 4.868 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nn(C)c3ccc(Br)cc13)CC2=O 587460147 RTFXFEKXOZMVHQ-GOSISDBHSA-N 415.287 4.700 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)c(Cl)cc(Cl)c1O 587548733 XQQWRYRYAALQSV-JLTOFOAXSA-N 419.216 4.813 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)c2)N1 587731861 LMMBXMQAAOPINY-NSPYISDASA-N 404.258 4.537 0 1 HJAF COCCCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587793958 NQVGEBVLNKAUNK-RBZFPXEDSA-N 408.311 4.627 0 1 HJAF COc1cccc2c1OCC([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 587837170 ZWTXIYNFGWZONR-WYRIXSBYSA-N 404.279 4.648 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2c1 587952465 RNMQLRNHBVYICS-FTRWYGJKSA-N 407.580 4.688 0 1 HJAF Cn1cc([C@@]2(c3c(F)cccc3F)c3c(F)cccc3C[C@@H]3CCCN32)cc1C=O 963096004 DQGJKGCJZXLSRM-XDHUDOTRSA-N 410.439 4.567 0 1 HJAF CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522553 FKYCSUOTHBORIB-TVZXLZGTSA-N 401.506 4.737 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2F)c(CC)c1CC(=O)O 1772575873 BIBYXJSLJHQZBC-UHFFFAOYSA-N 424.451 4.505 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)C2(c3ccccc3)CC2)C(=O)OC)cc1 1772586907 LTFHSXYMAVSFDT-PGRDOPGGSA-N 409.526 4.564 0 1 HJAF COc1ccc(Nc2ncnc3c2[C@H](c2ccc(OC)cc2)c2c(n[nH]c2C)O3)cc1 1772613325 RUYIAVDPWQQYLT-LJQANCHMSA-N 415.453 4.555 0 1 HJAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C3 2356472594 CFWQLQINZAVWGP-HDMFQMNFSA-N 412.526 4.609 0 1 HJAF CC(=O)OCC=C1CC[C@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@@H](O)CC=C(C)C)OC1 2356501075 NIYAENRGXVJXGA-JMBSJVKXSA-N 424.578 4.500 0 1 HJAF CC(=O)OCC=C1CC[C@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@H](O)CC=C(C)C)OC1 2356501077 NIYAENRGXVJXGA-QODFHFCMSA-N 424.578 4.500 0 1 HJAF Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCCc3ccccc32)cc1 1360781 PHLXQWKNUVFUHP-XMMPIXPASA-N 413.500 4.597 0 3 HJAF aggregator O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3)c1ccc(F)cc1 590308 GHABYTRYIMZJAW-SFTDATJTSA-N 410.558 4.963 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3831453 RYMZZMVNJRMUDD-IUTVWUHASA-N 418.574 4.586 0 1 HJAF in-vivo CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCN(CC)CC 4212550 JYUYWVANCJQLTK-GOTSBHOMSA-N 417.594 4.557 0 1 HJAF O=C1CS(=O)(=O)[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)cc1 6040336 OGOHZZBNMZQPRK-OAQYLSRUSA-N 413.882 4.593 0 1 HJAF CCN1c2ncc(CCc3ccc(C)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385125 FKLCIYOEQBQJSS-UHFFFAOYSA-N 406.917 4.972 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26388683 XQSKEOBPPYRPOT-ALGDMOJNSA-N 414.634 4.887 0 1 HJAF FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc2[nH]cnc2c1 28523555 QXOBSPOVUOATCZ-UHFFFAOYSA-N 410.363 4.735 0 1 HJAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@H](c2ccc(Cl)c(F)c2)C1 28883104 PJDNBOOJSSZQPJ-FQEVSTJZSA-N 417.956 4.706 0 1 HJAF CCCn1c(SCCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc2ccccc21 66259641 CRMIDORFUMJXFH-UHFFFAOYSA-N 424.595 4.958 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)C1 82152368 KXHPTJVJYYSCMX-FCGDIQPGSA-N 424.564 4.883 0 1 HJAF Fc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)cc1 82187373 LPDPGZVCWZATFB-KRWDZBQOSA-N 423.517 4.528 0 1 HJAF COc1cc(/C=C2\CCCN3C[C@@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1 95575137 ABELTLNMCSUYMP-GXPYYPFNSA-N 414.509 4.754 0 1 HJAF CCCCc1ccc2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1 150045111 SOLHEZQXFSKDQL-UHFFFAOYSA-N 412.497 4.694 0 1 HJAF N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)C1CCCCC1 223672897 JMHZWDSMFPJWHZ-GOSISDBHSA-N 408.571 4.919 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@H]21 255231344 MBJLOOMSTRIRSW-VGZPXYQFSA-N 412.570 4.903 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)c1C 586946705 CXFSABFOQIVIDU-UHFFFAOYSA-N 413.449 4.926 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cccnc3[nH]2)cc1OC 587057102 NPFYJOZESSLWDD-UHFFFAOYSA-N 408.845 4.548 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(CO)cc4[nH]3)nc2n1 587115519 YMNNHNXTROYOSR-UHFFFAOYSA-N 421.448 4.521 0 1 HJAF Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 587251327 CSUQQUHTSBRLAT-GHXNOFRVSA-N 424.913 4.770 0 1 HJAF C[C@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328997 BOROPAUVQNLGSN-XXBNENTESA-N 406.388 4.773 0 1 HJAF CCOC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587351269 TUNMCZIDOADHHK-WIOPSUGQSA-N 420.436 4.982 0 1 HJAF COc1ccc2c(c1OC)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352578 PCFFNSQAGJSCLQ-WIOPSUGQSA-N 420.436 4.749 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419972 ODBZPXBJWXQWHH-VFNWGFHPSA-N 421.276 4.598 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O 587442746 LHQZMLDIZXMVBW-UQBPGWFLSA-N 402.446 4.772 0 1 HJAF COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587451174 JBAIKNHLXXVYJQ-OSPHWJPCSA-N 419.502 4.807 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC[C@H]2C1)CC(=O)c1ccc2c(c1O3)CCCC2 587518700 NQKDGQVUTAEQQT-ATLLOTDBSA-N 411.542 4.936 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1O 587540934 SAAGCTFKODAZRT-XLIONFOSSA-N 413.223 4.563 0 1 HJAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)o1 587617929 RKSOFDVZLUWBJU-NFBKMPQASA-N 402.358 4.761 0 1 HJAF CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587701419 BTYNMCNGOYPFRK-ABJQOUTJSA-N 416.640 4.997 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(F)c2)N1 587714820 GXSBJLLABLXMAL-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cccs2)N1 587720262 MCERLKMGOKZHIP-XYZCENFISA-N 418.278 4.652 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)F)cc2)N1 587720796 UTGMDWVJTLFMJF-XTZNXHDOSA-N 400.238 4.987 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1 587760352 PFFIVQYXIYKTGP-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)CC[C@H]2C)N1 587767733 KIXQPCMJZCNLBN-XCGNWRKASA-N 417.366 4.860 0 1 HJAF CC(C)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587768919 DTXRMMDXEKBFAK-SGTLLEGYSA-N 402.311 4.983 0 1 HJAF CCOC(=O)c1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799581 SOFZDWXPCONQQX-MPBGBICISA-N 406.295 4.563 0 1 HJAF COC(=O)CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804246 DDPQXBILPBZZRH-SZNDQCEHSA-N 420.322 4.709 0 1 HJAF COc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862870 ZTRLGEGVUYEKEW-CYBMUJFWSA-N 420.387 4.694 0 1 HJAF CCCCOc1ccc(OCCCC)n1-c1cc(C(=O)O)ncc1Br 587939764 LNMFZTCKCKEQAQ-UHFFFAOYSA-N 411.296 4.691 0 1 HJAF Nc1nccn2c(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)cnc12 653706065 ZPSSKPZYSNHABB-UHFFFAOYSA-N 412.375 4.641 0 1 HJAF CNC(=O)c1ccc(Oc2cccc(NC(=S)Nc3ccc(Cl)cc3)c2)nc1 653808138 WVXYNJPMXWEAOR-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962981617 VIERWSHOOJVHKH-LAUBAEHRSA-N 416.855 4.714 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 963227507 JLCXVUIUHIOLQE-CYFREDJKSA-N 408.567 4.780 0 1 HJAF CC[C@@]1(c2ccc(O)c(N)c2)c2cc(OC)ccc2CCN1Cc1ccc(F)cc1 963303531 QBSPFLDCHWKFRZ-RUZDIDTESA-N 406.501 4.834 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(Cl)c(F)c1)C(F)(F)F 963577762 DTECSXLRKCRIGE-MGNBDDOMSA-N 403.803 4.836 0 1 HJAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCN3CCCCC3)c1CC2 1772604426 YTSJVNRQXUSNDK-UHFFFAOYSA-N 417.553 4.915 0 1 HJAF CC(=O)O[C@H](C=C(C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)CC(C)=CCCc1ccoc1 2356417122 RGTRQKDHOCMNQZ-ZDXQCDESSA-N 418.530 4.663 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@H](O)C=C(C)[C@]21C 2356574120 NVEWIEAUNOPBPT-NMSNWIHYSA-N 416.558 4.507 0 1 HJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@@H](CC5=CN[C](N)C=C5)CC5(CCCC5)C4)(C[C@@H](N)[C@H]31)O2 2356825306 CYTUPJOICIBSAK-OFHCXPNXSA-N 424.653 4.910 0 1 HJAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 767768 DRRJSUPVGBQYCY-AHWVRZQESA-N 421.500 4.830 0 1 HJAF COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC 1492324 FHDPQTHZTKXVCW-UHFFFAOYSA-N 403.442 4.538 0 1 HJAF C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(Cl)cc1)c1ccccc1 13441724 RRQYOMYXJXGROU-UTKZUKDTSA-N 414.933 4.751 0 1 HJAF CCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C 13827515 VYWKZXUTPFZFLB-UHFFFAOYSA-N 421.545 4.617 0 1 HJAF O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCc2ccccc2C1 14959169 MWATXBYHLNDFKU-UHFFFAOYSA-N 402.885 4.924 0 1 HJAF CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(O)c2ncccc12 25480886 MAROFHKGNYUPFG-UHFFFAOYSA-N 423.822 4.683 0 1 HJAF Cc1nc(C)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc1C 28713638 XFLLEJASKDGDFN-UHFFFAOYSA-N 422.523 4.587 0 1 HJAF Cc1c(CNc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C 40379268 XIFCOCFVEFTGAZ-UHFFFAOYSA-N 411.509 4.842 0 1 HJAF O=C(CC1=C[C@@H](Cc2ccc(Cl)c(Cl)c2)c2ccccc21)N1CCOCC1 45356544 RFYHOIKKXRKSGR-MRXNPFEDSA-N 402.321 4.966 0 1 HJAF COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4/C=C/c3cccc(F)c3)c2c1 84618650 QFVCKEIPJFHFMG-CPLVGKGBSA-N 418.512 4.840 0 1 HJAF COc1cccc(-c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)c1 139799392 KTVOYRJALSQAPL-UHFFFAOYSA-N 402.885 4.958 0 1 HJAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(OCC(F)(F)F)cc1 167471665 ZYQKIBZBFANKNM-QGZVFWFLSA-N 423.431 4.899 0 1 HJAF CS(=O)(=O)Nc1noc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cc12 218092841 KQLTYXFGPMAWBV-UHFFFAOYSA-N 416.543 4.672 0 1 HJAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1 261130043 KXXWXEBOCLSFEB-UAPYVXQJSA-N 412.496 4.634 0 1 HJAF COc1ccc(OC)c(-c2nnc(NCc3ccc(Br)cc3)s2)c1 299858242 DMOKTJDZMHPQRY-UHFFFAOYSA-N 406.305 4.597 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)cc1 586931542 XQOUWNDROVHLAJ-UHFFFAOYSA-N 409.486 4.811 0 1 HJAF C/C=C/C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H]1CC(=O)OC)-c1ccccc1C4=O 586992614 QLBSVDCARJMOBY-LMIZRQEKSA-N 413.473 4.937 0 1 HJAF FC(F)(F)c1ccc(-c2nc3cc(Cl)cnc3[nH]2)c(I)c1 587179408 VHAGZCKGBDLEST-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587221299 VPQJBOMCOVXCFS-LJQANCHMSA-N 419.868 4.522 0 1 HJAF CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353481 ZOIXPBXSOXLBCQ-ZCVJKFOLSA-N 412.457 4.772 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)O2 587399665 MNQDKWLHLCBLCI-NRFANRHFSA-N 408.498 4.971 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc3cc(C(=O)O)ccc3o1)O2 587413903 UAFVXLLKVRHDNJ-RUZDIDTESA-N 413.429 4.931 0 1 HJAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O 587424561 ZRVJGXFUGXGNTQ-KVYZTJHFSA-N 417.427 4.747 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1cccc(C(=O)O)c1)[C@@H](C2)C3=O 587449893 JXIZPUVWZMQOCW-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)ccc(OC)c31)CC2=O 587458522 KJYRIKXAANFXCP-OAQYLSRUSA-N 417.299 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(Cl)ccc(F)c1Cl)CC2=O 587466375 NINGOOSEQFCAFH-LJQANCHMSA-N 413.228 4.736 0 1 HJAF CC(C)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587513916 LWCWXVXCOZAKGN-VWLOTQADSA-N 404.554 4.802 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(O)cc12 587610863 RPOGRKSKPNKVPF-ZEQKJWHPSA-N 408.409 4.984 0 1 HJAF CCOc1ccc(-c2nn(-c3cccc(C)n3)c(=O)c3ccccc23)cc1OCC 587668329 ABONXPZPTJQGLR-UHFFFAOYSA-N 401.466 4.554 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cccc2Br)N1 587676316 GHFMTZSCVLPQPE-VPTHRUTESA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(F)c2)N1 587722085 YFIDRLNKHIMMJZ-ZKANADHPSA-N 404.201 4.952 0 1 HJAF Cc1csc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n12 587857488 QQRKOVOQMKGENZ-WPPNPWJKSA-N 414.731 4.883 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1nc(C)c(Cl)c1C 587871214 QJPPXKXOQBRYSX-KRWDZBQOSA-N 404.873 4.846 0 1 HJAF CCc1ccc(C(=O)CCc2nc3cccc(I)c3[nH]2)cc1 587957109 PUWVURYGMPOAKN-UHFFFAOYSA-N 404.251 4.545 0 1 HJAF COc1ccc(-c2ccc3c(c2)CC[C@H](CN(C)C)[C@@]3(O)c2cccc(OC)c2)cc1 653813281 DNOVEZFEGKYJKE-KCWPFWIISA-N 417.549 4.731 0 1 HJAF CC(=O)c1ccc2c(c1)[C@H]([C@@H]1CC=CC[C@H]1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635086 TXYVYMPMVPDUEM-PZQWHJIPSA-N 413.514 4.779 0 1 HJAF CCOc1c(Cl)cccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962698655 NORFUJIYLSEYSQ-CVEARBPZSA-N 417.786 4.585 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](CCCc2ccccc2)N1 962922159 CFMXFUYPAKIXTC-RPWUZVMVSA-N 403.478 4.847 0 1 HJAF COc1cc([C@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@H]3CCCN32)ccc1C 963100604 KHRJXRFJBDIRTB-KBMIEXCESA-N 411.517 4.908 0 1 HJAF COc1ccc(COc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)sc3ccccc23)cc1 1772631713 JREQORGSDBBRSL-IYBDPMFKSA-N 411.523 4.738 0 1 HJAF COC(=O)CCC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C 2356378987 ZFHOCBSSUADVIP-YCFYUYSTSA-N 420.590 4.979 0 1 HJAF CC1=C(C[C@]23CCC[C@@H]4C[C@H](C)C[C@H]([C@@H](CO)C2)N43)C[C@@H]2CCC(=O)c3ccc1n32 2356467013 ZWUTTYKUKCHEPH-JJMAVDFTSA-N 408.586 4.977 0 1 HJAF CC1(C)CCC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)NC(=N)NC[C@@H]2[C@@]1(C)C[C@H]3O 2356625593 RQEHMIXSAUDXKZ-QUYGMBEVSA-N 413.650 4.983 0 1 HJAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 61923665 VBSVTTLLONSJNC-FSSWDIPSSA-N 402.970 4.738 0 3 HJAF Cn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1 841420 DOKKMZLPMGLGJX-UHFFFAOYSA-N 408.465 4.748 0 1 HJAF C=C1c2ccccc2C(=O)c2c1c1c(C(=O)OC)c(O)ccc1n2Cc1ccccc1 1663414 SQBBMGPOPYNZMH-UHFFFAOYSA-N 409.441 4.788 0 1 HJAF O=C(NCCOc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 2478352 ZPGXSWYLEUSQFB-UHFFFAOYSA-N 402.425 4.957 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 13612008 UZLXDYWGWVNJLO-CYBMUJFWSA-N 418.341 4.520 0 1 HJAF O=C(c1cc(Br)ccc1O)c1[nH]c(Cl)c(Cl)c1Br 14684494 ICQSKHARNVQSEP-UHFFFAOYSA-N 413.880 4.783 0 1 HJAF biogenic COc1ccc(/C=C/c2cc(OC)cc(OC)c2CNCCc2ccc(O)cc2)cc1 28653225 TXOHHMBLOOBWLA-RUDMXATFSA-N 419.521 4.921 0 1 HJAF COc1ccc2nccc([C@@H]3CN(C4CCN(CC5CCCCC5)CC4)C(=O)O3)c2c1 28893516 QYDKOWROHHZSPY-DEOSSOPVSA-N 423.557 4.781 0 1 HJAF O=S(=O)(Cc1ccccc1Cl)Nc1ccc2ncn(Cc3ccccc3)c2c1 40860415 IEYYYCQWCPBAIK-UHFFFAOYSA-N 411.914 4.680 0 1 HJAF COc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)c1 45283428 PKEYUZLKZFFHLI-UHFFFAOYSA-N 408.571 4.822 0 1 HJAF COc1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1OCc1ccccc1 53188566 IWKFGMPFJZNVAZ-UHFFFAOYSA-N 400.482 4.834 0 1 HJAF CC[C@@H](NC(=O)c1cc(C(=O)NCC2CCCC2)n2c1CCCC2)c1ccccc1 146129519 IBPGXRKTMBPQCU-OAQYLSRUSA-N 407.558 4.626 0 1 HJAF Fc1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1 198393442 YAGQCFROEHNHFC-UHFFFAOYSA-N 408.440 4.900 0 1 HJAF CC1(C)CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C(=O)C1 221623144 WSATUJJSARHJKO-UHFFFAOYSA-N 401.441 4.588 0 1 HJAF CN(Cc1nc2ccccc2n1CC[C@H]1CCCCN1C)[C@H]1CCCc2cccnc21 253992167 SAIRRLKOMQEJAC-QPPBQGQZSA-N 417.601 4.815 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3C(=O)OCc1ccccc1 586990376 DIWUKOKWKARJDX-QGZVFWFLSA-N 407.425 4.535 0 1 HJAF COc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1F 587116334 DVYGHCQQIGETSM-UHFFFAOYSA-N 402.779 4.699 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12 587154177 LYLONWUFNWIBPD-UHFFFAOYSA-N 410.836 4.743 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239641 MLTGZHBISKJBSM-DBLBYYFGSA-N 423.916 4.910 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(-c3ccccc3)cc1)O2 587407358 IUJSIYWQFJKGGP-RUZDIDTESA-N 401.462 4.970 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1F)(C1CC1)[C@@H](C2)C3=O 587423474 KRNXHODRJUDEDS-MGPUTAFESA-N 403.247 4.650 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)N(C)C)cc4)cc1)[C@@H](C2)C3=O 587427184 CHBUAPJJSRMXJA-OFVILXPXSA-N 413.473 4.553 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Cc2nc(N)sc21 587494026 HPAHSWBQQHYBQJ-MYYSRTQBSA-N 420.534 4.974 0 1 HJAF O=C1C[C@@H]([C@@H]2CCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517472 NWQBKSTVVSSPLC-GMAHTHKFSA-N 405.494 4.700 0 1 HJAF O=C1C[C@H](c2cc(=O)c(OCc3ccccc3)co2)Oc2c1ccc1c2CCCC1 587535573 LJSBNWMSYROPDA-HSZRJFAPSA-N 402.446 4.804 0 1 HJAF C[C@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553182 UEDPIEOPEXAYNB-NFBKMPQASA-N 423.852 4.795 0 1 HJAF COc1cc(SC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587613832 PIQOZLHCNLVCIL-NFBKMPQASA-N 424.474 4.834 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccnc3O)c2)N1 587767273 AGVXFVJHNWNYSK-ODXCJYRJSA-N 413.290 4.979 0 1 HJAF COc1ccc(C=O)c(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1OC 587786102 HORLLKQXLLARRB-UHFFFAOYSA-N 419.275 4.609 0 1 HJAF Cc1cccc([C@@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)n1 962909408 MCBKKOOGLFGTCF-SQJMNOBHSA-N 404.485 4.543 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(Cl)c1Cl)(C1CCC1)NCC2 962933102 HEZMNAIKDFTFHR-QFIPXVFZSA-N 403.353 4.885 0 1 HJAF COc1cccc2cc([C@]3(c4ccccc4)NC[C@H]4CC(=O)N(C)c5cccc3c54)oc12 963023720 KOXWBRPDNWUIPD-DNOBIOAJSA-N 424.500 4.787 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](c1cc(Br)cc(C)c1F)NCC3 963049845 BCAGXFGGFJXYDG-FQEVSTJZSA-N 401.279 4.689 0 1 HJAF COc1cccc([C@]2(c3cccc(C)n3)c3cccc(Br)c3CCN2C)c1 963288844 GBYWNZALTKZUMB-HSZRJFAPSA-N 423.354 4.941 0 1 HJAF CC(C)(C)n1cc([C@@]2(c3ccccc3OCCCF)NCCc3ccc(O)cc32)cn1 963354392 XFYJYRSSGQPMHK-VWLOTQADSA-N 423.532 4.520 0 1 HJAF COc1cc2[nH]cc(C(=O)CCN3CCC(Cc4ccccc4)CC3)c2cc1OC 1772578125 MQXOKAOFPPMDSV-UHFFFAOYSA-N 406.526 4.713 0 1 HJAF COc1cc(CCCO)c(Br)c2cc(-c3ccc4c(c3)OCO4)oc12 1772608698 WRYSYLQUCGNEDD-UHFFFAOYSA-N 405.244 4.525 0 1 HJAF CCCCn1nc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1OC 8672745 FXFWUEBDCMNASS-UHFFFAOYSA-N 421.419 4.674 0 3 HJAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 12479524 TZGIAGJFMAQUES-PKOBYXMFSA-N 424.566 4.917 0 3 HJAF CCC(CC)[C@H](C(=O)NCc1ccccc1)N1CCN(c2cccc(C)c2C)CC1 95600172 YMHOFCHWWVLAAC-RUZDIDTESA-N 407.602 4.547 0 3 HJAF O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205223088 VJKKMGURNLBEFC-XHDPSFHLSA-N 413.663 4.661 0 3 HJAF COc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 2724569 PZUNXRSJVFOAQH-JOCHJYFZSA-N 424.859 4.672 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCOc1ccccc1 4216014 CDRCUPADFJNZPO-RTWAWAEBSA-N 400.544 4.957 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@](C)(O)[C@@H]1/C=C/C1=CC(=O)O[C@@H]1O 13370845 CNXOWEJEIZUYTD-LWNZHRFPSA-N 402.575 4.754 0 1 HJAF COc1cc2c(cc1OC(C)=O)oc1c(OC)c(-c3ccccc3)c(C=O)c(O)c12 14638610 UNAIXGMVKRFYHY-UHFFFAOYSA-N 406.390 4.714 0 1 HJAF biogenic O=C1NC(=O)[C@H](Cc2ccc(OCCc3csc(C4CCCCC4)n3)cc2)S1 26577270 BXIMHZRLXGYKGR-SFHVURJKSA-N 416.568 4.706 0 1 HJAF CC(C)c1csc(/C=C/c2cccc(NC(=O)[C@@H](O)c3ccccc3C(=O)O)c2)n1 27420832 QCVVRVSQBSTARO-ZJVMWOEPSA-N 422.506 4.807 0 1 HJAF C[C@]1(C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 28826126 BGJFZAXJWZHLTP-PKTZIBPZSA-N 415.455 4.979 0 1 HJAF Cc1ccnc(C)c1C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1 40862704 VEQTXHKRGMDDAR-UHFFFAOYSA-N 413.565 4.678 0 1 HJAF FC(F)(F)c1cccc(N2CCN(CCc3cc(Cl)c4nc[nH]c4c3)CC2)c1 40938805 RPQRWAWADINQQE-UHFFFAOYSA-N 408.855 4.600 0 1 HJAF O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1 49070971 ACNFYYUXBQGWQL-UHFFFAOYSA-N 405.461 4.794 0 1 HJAF C[C@H](C(=O)N1CCCC1)c1cccc([C@H](OC(=O)N2CCCC2)c2ccccc2)c1 53295913 CZOWUCKJJKAKGZ-WMZHIEFXSA-N 406.526 4.734 0 1 HJAF COc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccc(O)cc2)c1 72174781 MKGAOLDNWXUYTP-JOCHJYFZSA-N 403.507 4.949 0 1 HJAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)C1 82133409 BCMIYEJMVYXRQR-OALUTQOASA-N 400.526 4.556 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175160 ZJLWNINUSNAVBA-DYVFJYSZSA-N 421.349 4.667 0 1 HJAF C[C@@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1 100033723 CMUQPQFUNNJOLD-VGSWGCGISA-N 408.454 4.906 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)cc(F)c3)cc21 204531856 JCIZDQAIDHYWAT-UHFFFAOYSA-N 410.376 4.921 0 1 HJAF CC(C)(O)/C=C/C[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 205489793 ARWYIFHSLQIOAX-VUOVJIJKSA-N 422.477 4.686 0 1 HJAF CO[C@H](C)C(=O)N(c1ccccc1Cl)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 253770837 GXUBZESBVOAOLU-WOIUINJBSA-N 414.977 4.661 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1 586903443 OZBVSQWXNSWGJY-SIKLNZKXSA-N 400.434 4.711 0 1 HJAF O[C@@H]1C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21 586904985 WYCZDDIOEBXGDQ-MEBBXXQBSA-N 408.093 4.657 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)cc3[nH]2)cc1 586970221 IPYALECXXNXVHV-UHFFFAOYSA-N 404.333 4.548 0 1 HJAF CCO[C@H](C)c1nc(C)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 587014687 OPIIHSAAJLDAAW-SSDOTTSWSA-N 401.717 4.903 0 1 HJAF Brc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587042655 VHOZAHFVHKWUAH-UHFFFAOYSA-N 408.346 4.778 0 1 HJAF CC(C)Oc1ncccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332691 AWNPRLOMDHFNLL-ZJSXRUAMSA-N 407.441 4.988 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(OC)c(OC)c(OC)c31)CC2=O 587481162 PZNBQRNYBNDMAD-DEOSSOPVSA-N 412.482 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c(CC)cc(=O)oc3c1)CC2=O 587494689 ZSUZBXLUMQSWMR-RUZDIDTESA-N 422.477 4.816 0 1 HJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccnc1C 587512160 LMMRGUDBARYNBR-XMMPIXPASA-N 402.494 4.834 0 1 HJAF COC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587513141 HTRYJDOFPKTJTL-DEOSSOPVSA-N 419.521 4.661 0 1 HJAF COC(=O)c1cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc(OC)c2o1 587534676 XEMHFXUSCUMCFU-HXUWFJFHSA-N 406.434 4.813 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587722110 YGBUFYFSVGMNPX-XYZCENFISA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2F)N1 587725153 BNOQDQOMVJRVTO-WLRWDXFRSA-N 409.274 4.506 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1 587751697 AKGYGZGRGYPPJV-RNODOKPDSA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1 587762446 DVXCFNQILLKNTO-SPLOXXLWSA-N 414.322 4.631 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)c1 587781938 ZJIYRNKJASNSRS-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF CC[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804915 DJURAOQSISHWEI-YUNKPMOVSA-N 408.311 4.793 0 1 HJAF Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(CCC(=O)O)NCCc2c1c(C(C)C)nn2C 962903386 AKHHJIYKZIEBPF-RUZDIDTESA-N 411.590 4.712 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(CCCC(=O)O)c1ccc(SC)cc1 963259511 SAKLHOCLEABMPU-NRFANRHFSA-N 405.947 4.715 0 1 HJAF CCCc1cnc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1 61907106 GJEQWHUTENSICF-HNNXBMFYSA-N 407.465 4.891 0 3 HJAF CN(C)c1ccc([C@@H](O)c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 205228717 WJGYMDYXDMVSHW-QGZVFWFLSA-N 421.444 4.562 0 3 HJAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO 4216582 SIAAAKLDQMCTRK-FCHUYYIVSA-N 402.579 4.959 0 1 HJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@@H]2C=CC=C[C@H]12 4875034 KICYSZOYNLAVJI-SCWSEQNSSA-N 414.461 4.570 0 1 HJAF Cc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 13674727 DKTWTOWWZXZHNH-UHFFFAOYSA-N 407.514 4.818 0 1 HJAF COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O 14435644 BJMZZPKIBSAQBA-TXMYPURDSA-N 418.486 4.520 0 1 HJAF biogenic,in-vitro CC1=Cc2ccccc2[C@@H]1C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 28568981 RBZUAUQRSLKNMB-RUZDIDTESA-N 400.566 4.673 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 34801263 NVBZLUSKXDCJBQ-XKGMQAKHSA-N 402.623 4.580 0 1 HJAF CCc1cccc2c(-c3nsc(CN4CCCC4)n3)cn(CC3CCOCC3)c12 71317784 BIPNGPVEIGPQGY-UHFFFAOYSA-N 410.587 4.745 0 1 HJAF CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ncccc4[nH]3)c(C)c2c1 71405035 XOQVIIRWRLDGDX-KRWDZBQOSA-N 424.526 4.635 0 1 HJAF CC(=O)Nc1cccc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)c1 82067630 VMXCOWAWLYTTCO-UHFFFAOYSA-N 402.376 4.858 0 1 HJAF CCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159011 YGYSDBKSGMFUMT-UHFFFAOYSA-N 400.526 4.941 0 1 HJAF COc1ccc(F)c2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4)cc3)c12 96906837 DXBHHWXLMKDWQT-UHFFFAOYSA-N 403.409 4.563 0 1 HJAF CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100705466 USKMKDKRBHYTLX-CQSZACIVSA-N 407.495 4.583 0 1 HJAF Cc1nn2c(O)cc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C 103078783 PAIQLYMIBJFUEX-UHFFFAOYSA-N 405.420 4.555 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103871929 NNECPDTXWBLIIP-JLTOFOAXSA-N 401.528 4.915 0 1 HJAF CCOC(=O)[C@@H](Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115654691 YPYWYMKYEXLQSN-IBGZPJMESA-N 405.885 4.939 0 1 HJAF CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@@H](Oc3ccccc3)CC2)C1 141165707 JKYMCTSCSIGOHG-UKIBZPOASA-N 408.933 4.971 0 1 HJAF CC(=O)OCC[C@@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](OC(C)=O)C[C@@]12C 238756748 WWVYCXGWNHHXOT-KZGVOXOPSA-N 408.579 4.667 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1 586985572 OUXNQOVCTVQLOL-AWEZNQCLSA-N 410.674 4.538 0 1 HJAF O=C(O)Cc1c(-c2cc(F)cc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988957 UHECZRAMEHXPIW-UHFFFAOYSA-N 417.367 4.724 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587026626 LWDZPJWYUWEUBY-UHFFFAOYSA-N 411.346 4.997 0 1 HJAF CC(C)Oc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br 587052831 OXODUSSBCAEERE-CYBMUJFWSA-N 424.726 4.714 0 1 HJAF O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587343071 RJRCDHXPWSCHNO-UKILVPOCSA-N 414.436 4.682 0 1 HJAF Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(S)n1 587375293 MIELGKFPYAXMFN-UGKGYDQZSA-N 410.470 4.501 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)O2 587381249 DPAKIONNATUHQV-QGZVFWFLSA-N 415.371 4.885 0 1 HJAF COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)ccc1F 587382146 OPFUDWBOVRZAPS-QFIPXVFZSA-N 405.425 4.876 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1N1CCCCC1)[C@@H](C2)C3=O 587444422 OPKZXIIINUAAFJ-UUOWRZLLSA-N 400.478 4.722 0 1 HJAF COc1cc2c3c(c1)O[C@](c1cccs1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O 587448644 ALXCGIQWLQDWGX-NPMXOYFQSA-N 423.559 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3[nH]nc(Br)c3c1)CC2=O 587457928 DLXLWHMYCYAZKB-QGZVFWFLSA-N 401.260 4.690 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)O)o3)cc1)CC2=O 587479503 IIOJPTQBBHLOLD-QFIPXVFZSA-N 422.433 4.921 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1OC(F)F 587558312 WJFXRGQRCGGJHP-PXNSSMCTSA-N 402.324 4.836 0 1 HJAF C[C@@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592654 IHKJRMLHIKWCJG-RDGATRHJSA-N 401.462 4.869 0 1 HJAF O=C(O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613147 NZMNMXYQNMOCES-UGKGYDQZSA-N 410.447 4.566 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1 587723732 XLDFNCXJGRELIM-XXFAHNHDSA-N 403.217 4.800 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1 587724140 ZXVVBFDEDCKYBF-VPTHRUTESA-N 420.200 4.816 0 1 HJAF Cc1ccc([C@@]2(c3occc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587744616 HSRWBMKEZGYVEA-YEJXKQKISA-N 415.306 4.898 0 1 HJAF Cc1ccccc1-c1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O 587938834 CRXIWZMVNXZICL-IBGZPJMESA-N 415.331 4.940 0 1 HJAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1 653793309 SDTFUYCCBVQXCF-INIZCTEOSA-N 423.431 4.647 0 1 HJAF Cc1ccncc1[C@]1(c2cccc(Cl)c2Cl)c2ccsc2CCN1C(N)=O 962708057 JRCWMJSOWNJOEN-HXUWFJFHSA-N 418.349 4.987 0 1 HJAF COc1cc(OC)c2c(C)c([C@]3(C)NCCc4cnc5c(OC)cccc5c43)oc2c1 963028051 BPPLIGKBLSJPHU-RUZDIDTESA-N 418.493 4.724 0 1 HJAF COc1ccc(/C=C/C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)c(OC)c1 1772655748 BVGVBFYFLUSQMK-FOWTUZBSSA-N 416.521 4.988 0 1 HJAF CS(=O)(=O)c1ccc(-c2cc(C3(CNc4cccc(Cl)c4)CC3)ccn2)cc1 1857600830 AZIZUJDEGBAJJW-UHFFFAOYSA-N 412.942 4.949 0 1 HJAF O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2)c1ccc(O)cc1 1857755593 IPRPWUGLLBDILH-UHFFFAOYSA-N 407.495 4.622 0 1 HJAF Cc1ccc(-c2cnc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 1911572859 YILFXQQRAUCJNJ-UHFFFAOYSA-N 412.493 4.930 0 1 HJAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(O)cc(C)c(C=O)c2O3)C1(C)C 2356334299 DBXHPZZOVLNOBW-OOXQMFQXSA-N 414.542 4.991 0 1 HJAF O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2F)CCC1 13534057 DBRJXMROBRZYJK-UHFFFAOYSA-N 409.335 4.895 0 1 HJAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)c(OCC(=O)O)c1 13782698 QRYFCBVHXLXWQL-UWXVCKHVSA-N 411.498 4.562 0 1 HJAF COC(=O)c1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)nc12 28950078 XIWOLOQEUBVCHM-UHFFFAOYSA-N 420.432 4.503 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)Cc3cccs3)cc21 29476797 RUNXQGRLWPDWRI-UHFFFAOYSA-N 420.490 4.639 0 1 HJAF COc1cccc(-c2cc([C@@H]3CCC[C@H]3C(=O)NC3(c4ccccc4)CCC3)no2)n1 45318200 GBKIGNMGKIBKCU-RTBURBONSA-N 417.509 4.825 0 1 HJAF Cc1nc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)ccc1Br 73157192 QDDXWVAOEKELSK-CQSZACIVSA-N 419.131 4.633 0 1 HJAF COc1cc2nc(NCCCOC(C)C)nc(NCCc3ccccc3)c2cc1OC 82128093 DRXWDYULOYEYIE-UHFFFAOYSA-N 424.545 4.529 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 101503513 XBEXHWPCLKUYDD-KAJXWAOTSA-N 400.490 4.761 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258913 GFIGTNGISUKHQE-CZUORRHYSA-N 409.404 4.712 0 1 HJAF Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)=C2 261126897 KIZQJQNMZJSTCZ-WKILWMFISA-N 407.514 4.827 0 1 HJAF COc1cc2c(O)nc(-c3cc(CNC(=O)C(C)C)ccc3Cl)nc2cc1Cl 299831584 FBHPJRMFCWKPNP-UHFFFAOYSA-N 420.296 4.590 0 1 HJAF Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1C 586954647 GUGYXZWDFORZDU-UHFFFAOYSA-N 411.571 4.871 0 1 HJAF Brc1ccc2c(cnn2CCc2nc3ccc(Br)cc3[nH]2)c1 587003286 SPNNVNMVAHNORB-UHFFFAOYSA-N 420.108 4.680 0 1 HJAF Cc1cc(Br)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 587029486 PROMNDGNTMNRMT-UHFFFAOYSA-N 415.316 4.784 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3c2)cc1N 587120497 LQZOOIZJNKQMBT-UHFFFAOYSA-N 408.387 4.956 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(F)cc3F)nc2c1 587150798 UDDCVMHMLQCRFM-XQRVVYSFSA-N 407.214 4.951 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)(C(C)(C)Br)[C@@H](C2)C3=O 587425303 BLGALHLDLXLHHI-RNODOKPDSA-N 423.253 4.790 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O 587452818 VFYPVZGASQLKFP-OUIFVKKZSA-N 400.474 4.689 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Cc2nc(N)sc21 587494023 HPAHSWBQQHYBQJ-IZHWHUGBSA-N 420.534 4.974 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587581888 XNJXTQVDLPEOSF-WIOPSUGQSA-N 417.461 4.758 0 1 HJAF O=C(CSc1ccnc2cc(Cl)ccc12)n1ncc2ccc(Cl)cc2c1=O 587653472 ASVNLKRDFBBTNI-UHFFFAOYSA-N 416.289 4.684 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2n[nH]c3ccccc23)N1 587789866 BTDMPGWWXWARNT-MPBGBICISA-N 402.311 4.847 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=CNCCC2)(c2ccccc2)N1 587794362 MNUNQKZSPDGERH-SPLOXXLWSA-N 401.323 4.633 0 1 HJAF C/C(=C\[C@]1(c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587854184 QJCAXAUKQVLJRX-FVHSBGKRSA-N 409.368 4.893 0 1 HJAF COc1cc(Cl)ccc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861045 KZZBUHWFVNHFJC-UHFFFAOYSA-N 410.779 4.928 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccc(F)cc3)o2)N1 962969204 PVNKDMBPLGOHLX-LIRRHRJNSA-N 407.775 4.706 0 1 HJAF Cc1cccc2c1[C@H](c1ncc(Cl)s1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852248 BOJJPXHAFDTNGS-CXAGYDPISA-N 422.934 4.831 0 1 HJAF Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3OC(C)C)c12 1772588440 RDVHXTMKXAWEAB-UHFFFAOYSA-N 402.495 4.967 0 1 HJAF COc1c(OCc2nc3ccccc3[nH]2)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772615614 OAYCAKXELIPKHO-UHFFFAOYSA-N 414.417 4.630 0 1 HJAF Cc1cnc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1 1772619405 IFHKGRGPUVJPKC-QAQDUYKDSA-N 418.515 4.634 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356367127 WVDMINBHILGTIO-QKNQBKEWSA-N 420.532 4.924 0 1 HJAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCCN(C)c1ccccc1 2483407 HGTPNDZCRLXPLU-UHFFFAOYSA-N 421.541 4.904 0 1 HJAF O=C(c1cnccn1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 3955929 FIZXQXATBUPVQM-UHFFFAOYSA-N 412.537 4.666 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4055371 MUCPLGJCQOZYCH-IRLDBZIGSA-N 414.933 4.708 0 1 HJAF O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)Nc1ccc(Cl)cc1 8602503 SQIFOHCGGXHWKA-UHFFFAOYSA-N 407.857 4.793 0 1 HJAF Cc1c(C)c(C)c(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c(C)c1C 14944700 STELUSFALOLRBI-UHFFFAOYSA-N 406.534 4.736 0 1 HJAF COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(Cl)cc2Cl)CC1 28647005 ZCTIKWDKXFRMTQ-UHFFFAOYSA-N 422.356 4.543 0 1 HJAF CCOc1ccc(Cc2nc3cc(N(C)C(=O)NC(C)C)ccc3n2CC2CC2)cc1 40391762 NLFLRMAYNFDYHX-UHFFFAOYSA-N 420.557 4.990 0 1 HJAF CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CC3CC3)CC2)cc1 45340341 SFZRRWGLLPCDSK-UHFFFAOYSA-N 406.570 4.666 0 1 HJAF CSc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 66123068 GHASTEVBLRFHJB-NRFANRHFSA-N 409.576 4.846 0 1 HJAF COc1ccc(Br)cc1Cc1nccc2cc(OC)c(OCCF)cc12 72105509 XTNKUKGWUYUIKS-UHFFFAOYSA-N 420.278 4.954 0 1 HJAF O=C1Nc2ccc(F)cc2[C@@H]1CCCCN1CCN(c2ccc(Cl)cc2)CC1 72123261 JJTOKVQOTZLLNF-IBGZPJMESA-N 401.913 4.507 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C 82132402 DCADJDCOJHDWHJ-NXXWWENFSA-N 404.558 4.766 0 1 HJAF COc1ccc(C2=NN(C(=O)c3ccc(Cl)nc3)[C@@H](c3ccc(OC)cc3)C2)cc1 84727397 HHCPBFIZQARXRS-OAQYLSRUSA-N 421.884 4.744 0 1 HJAF CCO[C@@H]1c2ccc3c(c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]21)C=CC(C)(C)O3 95579634 HTEHFHLXSLSGCN-AOHZBQACSA-N 424.493 4.903 0 1 HJAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95878282 JVXCBFZGQSQKGM-IGKWTDBASA-N 420.459 4.622 0 1 HJAF O=c1nc(-c2ccccc2Br)sn1-c1ccc(OC(F)(F)F)cc1 103177701 QQQKGXLPRHFWIC-UHFFFAOYSA-N 417.206 4.622 0 1 HJAF CCC1=N[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(OC)CC1 169708703 QRKMJBIQBFXXFC-TVNWEXPRSA-N 422.960 4.908 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H](/C=C/C4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12 257397774 CNXOWEJEIZUYTD-ZAJCMDLZSA-N 402.575 4.754 0 1 HJAF COc1cc(NC(=O)CCCCCCOc2cccc(Br)c2)ccn1 299863797 LNCAQVVYSIBZJW-UHFFFAOYSA-N 407.308 4.821 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586894985 JQKXWELXPPHQCE-UHFFFAOYSA-N 423.266 4.850 0 1 HJAF COc1cccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587032334 STICKIILOBIWCB-ZEVOCZHWSA-N 400.529 4.698 0 1 HJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1 587067662 JOSZXSDFIOUUPE-UHFFFAOYSA-N 415.678 4.547 0 1 HJAF CCCOc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587087266 CXICSVJASBNBGI-JTQLQIEISA-N 400.267 4.864 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2nc(Cl)c[nH]c-2n1 587087355 PGRQVERMOKCPGP-VOTSOKGWSA-N 419.703 4.988 0 1 HJAF Cc1c(-c2ccccc2OCC(=O)N(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104907 WVVKNDSTFDTYIN-UHFFFAOYSA-N 422.484 4.889 0 1 HJAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2nc(Cl)c[nH]c-2n1 587121389 APUFTTCDCFNKQB-UHFFFAOYSA-N 411.796 4.955 0 1 HJAF Cc1cc(-c2nc3c(C)c(Cl)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124908 NISPUKOPHKWUQM-UHFFFAOYSA-N 403.813 4.762 0 1 HJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1 587126856 NMPHBUVCPBJLNQ-MADCSZMMSA-N 405.302 4.633 0 1 HJAF FC(F)(F)c1ccc(-c2nc3c(Cl)ccnc3[nH]2)c(I)c1 587178570 FRFNTGJRRXGNDX-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327924 IGDHJIWJFULRJT-AUSIDOKSSA-N 423.827 4.700 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343949 AFXQMGWIHSIREU-XZDHIHRUSA-N 414.473 4.874 0 1 HJAF C[C@H](Oc1ccccc1O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347695 MHCHCTDKSXPNCC-BEYHJKFUSA-N 408.425 4.822 0 1 HJAF COc1cccc(-c2cc([C@@H](C(C)=O)[C@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1 587363566 QSXMERRRMNIYLG-XXBNENTESA-N 414.461 4.608 0 1 HJAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1-n1cccc1 587392554 ZMJDDAPMUCBXGZ-FQEVSTJZSA-N 406.482 4.872 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(C)c(C=O)c3ccccn13)O2 587394273 SMHIRRMVKIRXND-AREMUKBSSA-N 410.473 4.860 0 1 HJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C=O 587400996 TXUFYUMLEJRIAC-XMMPIXPASA-N 417.461 4.684 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(Br)c1OC)CC2=O 587466368 NIEOFSQAFOSJCI-INIZCTEOSA-N 409.251 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Br)cc1OC)CC2=O 587467342 SXABXJLKWDFGJZ-QGZVFWFLSA-N 409.251 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OCCC(=O)O)cc1)CC2=O 587476651 AAYVCZKWMZYWDM-DEOSSOPVSA-N 412.482 4.555 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Br 587559879 ZYJWUSDTJLODQA-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(C)on1 587627943 MOQNXMTYFAAYJH-UHFFFAOYSA-N 420.265 4.520 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1 587721879 QYHPLTNBOOMPJD-XXFAHNHDSA-N 403.217 4.800 0 1 HJAF CCCCC[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587760041 WVJPOJYZNRHUDZ-RBZFPXEDSA-N 408.359 4.988 0 1 HJAF Cc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12 587777636 IOCKHMKCDHDBNW-NSPYISDASA-N 401.279 4.774 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798981 QPRRXIURXLIEKD-MPKWNAGQSA-N 420.322 4.685 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587832103 YQVJLEFJOSUNPU-SPLOXXLWSA-N 420.322 4.929 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2cccs2)N1 587846537 IBTPHRUUROXVOJ-ADLMAVQZSA-N 412.324 4.682 0 1 HJAF Cc1ncc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)nc1Br 587939632 HVQGTWAWSCJZDV-UHFFFAOYSA-N 402.292 4.714 0 1 HJAF CCOc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1OC(=O)C1CC1 963117093 CJDBRMQRQHRLLA-HXUWFJFHSA-N 406.309 4.943 0 1 HJAF C[C@@H]1C[C@@H](O)[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 2356594362 RTCXOPGJLHDJMS-RLRRQZFGSA-N 414.678 4.672 0 1 HJAF COc1ccc(CN2Cc3cc(-c4cccc(F)c4)ccc3-n3nncc3C2)cc1 72139405 IRPXIJCQDOHSMJ-UHFFFAOYSA-N 400.457 4.598 0 3 HJAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774684 WZPPIVUCBYACPA-BLLLJJGKSA-N 404.919 4.860 0 1 HJAF O=Cc1cc(/C=C/C(=O)N2CCOCC2)ccc1Sc1ccc(Cl)cc1Cl 13814881 JFWCMDPBPZTELG-QHHAFSJGSA-N 422.333 4.829 0 1 HJAF COc1ccc2cc(-c3ccc([C@@]4(O)CN(C)[C@H]5CCCC[C@@H]5O4)cc3)ccc2c1 64512952 ICLVRPDPZWNNKL-KKUQBAQOSA-N 403.522 4.934 0 1 HJAF CCCCNc1nc(NCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 82137381 KZZRRECUHCQJTL-UHFFFAOYSA-N 410.518 4.522 0 1 HJAF COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)cc(OC)c1 82163125 SEXSNTKKTFJZEQ-UHFFFAOYSA-N 416.481 4.779 0 1 HJAF CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 118513484 UDQOAJHRNGNHEH-GOSISDBHSA-N 408.329 4.776 0 1 HJAF COc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 143156217 OZJSEVZVZWZBIT-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@H]2CC[C@@H](CO)C2)cc1)c1nc2ccccc2[nH]1 143449820 PBAYSSFAKIJKMQ-AEFFLSMTSA-N 413.477 4.857 0 1 HJAF CC[C@H](C)C(=O)N[C@H]1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 165776701 ZSEMMHWUHYOFBF-JTSKRJEESA-N 418.541 4.728 0 1 HJAF Fc1c(Cl)cccc1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 213614406 OSNZJNICECYWHS-ZIAGYGMSSA-N 408.662 4.971 0 1 HJAF CC(C)[C@]12CC[C@]3(C[C@@H](c4ccccc4)c4c(O)c(C=O)c(O)c(C=O)c4O3)[C@H]1C2 238789738 OYVVKPBNGPLGSG-KRKQSOCOSA-N 406.478 4.832 0 1 HJAF COc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)ccc1Br 586975839 GJUHQGKJXLSYRF-HWKANZROSA-N 409.081 4.662 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(C)c(F)ccc4[nH]3)cc2cc1Br 586999070 UMRONFFJHDSLOR-UHFFFAOYSA-N 417.234 4.945 0 1 HJAF Cc1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029683 SBDKKDASVCNHJJ-UHFFFAOYSA-N 406.389 4.611 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(F)cc4)nn3)nc3cccc1c23 587104895 WREXZWUIIRHZFJ-UHFFFAOYSA-N 406.420 4.892 0 1 HJAF Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587124884 CXBCKZCABKAZAK-QPUJVOFHSA-N 414.229 4.805 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)cc1 587252358 YVCSEAFHONLEBT-UHFFFAOYSA-N 415.449 4.540 0 1 HJAF COc1cc(OC)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587345908 ACNVNGCJSRJPBT-VWNXMTODSA-N 408.425 4.823 0 1 HJAF O=C(O)c1csc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370474 BRNSDCRFFCRROW-XXBNENTESA-N 424.449 4.882 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Br)cc(Cl)cc31)O2 587371313 KGQJXQKLXJRDFX-SFHVURJKSA-N 408.679 4.636 0 1 HJAF COc1ccc([C@]2(C=C(SC)SC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587452262 NTCJRFMVRKXNOX-VGSWGCGISA-N 414.548 4.914 0 1 HJAF COC(=O)c1ccc([C@@]2(c3cc[nH]c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521249 ATODBMBCUQVMOY-RUZDIDTESA-N 401.462 4.589 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Br 587611566 GJUMBKKCOLKZPB-WMLDXEAASA-N 403.253 4.919 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ccc(F)cc2)N1 587727763 DHHKEIRLNLDTJP-NSPYISDASA-N 404.258 4.537 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587738956 DTULHWNOGBEUHT-FTWVIIHWSA-N 403.339 4.750 0 1 HJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587784809 JNVLORZABWWCIR-WDEREUQCSA-N 407.214 4.547 0 1 HJAF Cc1cccc([C@@]2(c3cnc[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587793173 QLWNTEBQUSCTKR-YEJXKQKISA-N 414.322 4.754 0 1 HJAF CC(C)CSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587844656 LUQILLQBAPLTDR-PIGZYNQJSA-N 410.356 4.750 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)n(C)n2)N1 587851752 JHVFHCRGOOYBQO-XTZNXHDOSA-N 406.324 4.674 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cccs2)N1 587852466 LEYYXNXXHCHITP-DYZYQPBXSA-N 406.324 4.674 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)cc(Cl)c1 587868609 PRKXUOXXHTVEOQ-UHFFFAOYSA-N 416.186 4.968 0 1 HJAF O=C1Nc2ccc(Cl)cc2[C@]12ON=C(c1ccccc1)N2c1cccc(Cl)c1 653849052 CMUKFLMAYLTPAC-NRFANRHFSA-N 410.260 4.997 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23c2c(F)cccc2C[C@H]2CCCN23)C1 963107144 KJYWFNMVWFYTAC-IPRDPGLQSA-N 400.538 4.709 0 1 HJAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(ccc(OCCCF)c3Cl)C2)cc1 1772592680 NMVTTWUYVLYTGE-MRXNPFEDSA-N 418.940 4.834 0 1 HJAF O=C(O)C1CC(Nc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)C1 1857554247 CKRWYSDUSZQBFQ-UHFFFAOYSA-N 419.872 4.615 0 1 HJAF Cc1nnc2n1-c1ccc(C3=CCNCC3)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857599045 CGQKNXSWFHOSPA-OAQYLSRUSA-N 405.933 4.705 0 1 HJAF O=C(Nc1ccc2cccc(O)c2n1)c1ccc(OC(F)F)c(OCC2CC2)c1 1857617719 QULATVCPLVEQIF-UHFFFAOYSA-N 400.381 4.583 0 1 HJAF CC(=Cc1cc(CCCc2ccoc2)co1)CCCc1coc(C(=O)NCCN)c1 2356306546 FRTYGMXWUOZBJW-UHFFFAOYSA-N 410.514 4.756 0 1 HJAF CC(C)(C)c1ccc(NC(=S)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 13553801 PVKDJZVASPVNJD-UHFFFAOYSA-N 422.520 4.917 0 1 HJAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@@H]2CCN(C)C2)cc1 28823640 QBMZTZAXLYSALZ-HXUWFJFHSA-N 400.950 4.516 0 1 HJAF CCOc1ccc(Cc2nc3cc(C(=O)N4CCCC4)ccc3n2CC2CC2)cc1 40380016 LAGLSJWXLIXNEF-UHFFFAOYSA-N 403.526 4.672 0 1 HJAF CCS(=O)(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 40393563 LTUKPZMUABICRG-UHFFFAOYSA-N 400.681 4.704 0 1 HJAF O=C(O)C(=O)N(Cc1ccccc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 40861455 WNKXCIKOFQIYLW-UHFFFAOYSA-N 415.367 4.870 0 1 HJAF COc1ccc([C@@H]2CC(Nc3nc4ccc(Cl)cc4s3)=NN2C(C)=O)cc1 45255236 VVIHUSLFRFBBGK-INIZCTEOSA-N 400.891 4.677 0 1 HJAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C1 82139779 UJILXPXLPRYSCN-ROUUACIJSA-N 410.537 4.924 0 1 HJAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82167252 FMXPIUYBIFLIBA-LBPRGKRZSA-N 412.490 4.652 0 1 HJAF C[C@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)nc1)C(F)(F)F 169311929 LNASUHVWTPAEAO-MEDUHNTESA-N 417.353 4.708 0 1 HJAF O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711188 HOMQYYYMDXLYHT-IQGASKDCSA-N 424.585 4.714 0 1 HJAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)NCc1ccccc1 169720780 LQXPLQZAVHAHQZ-UXHICEINSA-N 413.308 4.818 0 1 HJAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)nn3)c2F)cn1 224573421 WDLMMDZBXXQWRT-UHFFFAOYSA-N 405.355 4.734 0 1 HJAF Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C 238760208 MALFODICFSIXPO-WVICQBAVSA-N 409.614 4.595 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(C)cnc(Cl)c3[nH]2)cc1 586948399 HQVHPTRSUPOYJI-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF C[C@H](Oc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O 586990126 VLZKCAVIFRVWRP-ZDUSSCGKSA-N 411.413 4.671 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCC[C@@H]21 587027015 OLYFGTSKEQBZDC-KBMXLJTQSA-N 400.935 4.748 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc(Cl)c1 587070249 FYFUFUZZFJAUIG-OAHLLOKOSA-N 411.893 4.901 0 1 HJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)c(Br)cc2[nH]1 587088553 OOGYSNHKZGDUOB-ZETCQYMHSA-N 421.083 4.838 0 1 HJAF CSc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c1 587124738 LQICFYFHKNCAIN-UHFFFAOYSA-N 401.435 4.522 0 1 HJAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587194144 MNUNTJONSPEJLH-FQEVSTJZSA-N 424.545 4.659 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)O 587210453 CFHMUVDYFLFVKQ-NRFANRHFSA-N 418.493 4.521 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4cc(C)c(OC)c(C)c4)cs1)[C@@H](C2)C3=O 587451376 NXPZUVLMQJENNO-KSFYIVLOSA-N 407.491 4.933 0 1 HJAF COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525757 PMHICZNESAGUGU-QFIPXVFZSA-N 404.466 4.679 0 1 HJAF Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551558 GVVYILOFIIAFHI-NQIIRXRSSA-N 412.873 4.909 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2F)no1 587571202 ZVEVPXLGJGISCK-NFBKMPQASA-N 403.365 4.889 0 1 HJAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580485 IIIJLIWQGPFMFV-DHLKQENFSA-N 412.445 4.898 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nn(-c3ccccc3)cc12 587583426 WCBJGAITAQCQJQ-OZXSUGGESA-N 424.456 4.771 0 1 HJAF CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619611 YJWUCGKUDYVSCH-CYFREDJKSA-N 420.417 4.513 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2-n2cccn2)N1 587719653 LLDRVENMDQULCN-VOJFVSQTSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1 587736508 SEHOECCJGCHWDV-RWCMSOCESA-N 420.297 4.994 0 1 HJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1 587751819 AXYFPXDONXKUAE-FKIZINRSSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3)n2C)N1 587752129 BVILDBTWGYLMDU-CWTRNNRKSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2-c2ccccc2)N1 587761750 VOBAIVKHSQREFW-ZUOKHONESA-N 400.295 4.572 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCCC3)ccc2N)N1 587763859 AHOMVCIPSYDTEU-ZSEKCTLFSA-N 418.354 4.568 0 1 HJAF Cc1cccc(-n2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587764400 PLMZOKHMWSJCDH-QKKBWIMNSA-N 414.322 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCCN2)N1 587789686 BHRMXWGUNJVBQI-PUCZYUMASA-N 403.339 4.508 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587830562 VKFCEZLBMWKREL-SPLOXXLWSA-N 420.322 4.848 0 1 HJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)cc(Br)c4[nH]1)(C3)C2 587969367 NUPZXZIMHZVGFX-JIIRDLKHSA-N 413.237 4.991 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)(c2sc(C)nc2C(=O)O)N1 962949227 KYSKAHQLFMZGRN-VOIUYBSRSA-N 417.534 4.847 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C(=O)O)o1)c1cccnc1Cl 963223707 CZRCCLYSPYWFTG-NPMXOYFQSA-N 410.901 4.975 0 1 HJAF Ic1ccc([C@@H](OCCCc2cnc[nH]2)c2ccccc2)cc1 1772609999 JJHWOWWUTNJQFO-IBGZPJMESA-N 418.278 4.753 0 1 HJAF CCCCOc1nc(C)c(-c2ccnc(Nc3ccc(OC)cc3OC)n2)s1 1857745840 NQKLIESFEAAIAN-UHFFFAOYSA-N 400.504 4.848 0 1 HJAF Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc4cccc(F)c4n3)C2)o1 13636991 IQADCCCJQHMHTP-SFHVURJKSA-N 409.505 4.584 0 3 HJAF O=C(CN1CCN(c2ccccn2)CC1)N(c1ccccc1)c1ccc2ccccc2c1 26439905 DKNHGLHDCHHTIL-UHFFFAOYSA-N 422.532 4.722 0 3 HJAF Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3F)sc2c2ccc(Cl)cc21 5022195 PAMJISNVLXRUTN-UHFFFAOYSA-N 404.825 4.937 0 1 HJAF CCCCOC(=O)c1c(N2CCN(C)CC2)nc2cccc3c2c1-c1ccccc1-3 13797136 FWMRZGOXUHJQRS-UHFFFAOYSA-N 401.510 4.591 0 1 HJAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@H]3CCCN3Cc3ccccc3)[nH]2)c1 26975723 WCXOZRBCTFWPKS-HSZRJFAPSA-N 424.566 4.821 0 1 HJAF COc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 28471845 RVHBZVNWEHMHIK-UHFFFAOYSA-N 423.520 4.541 0 1 HJAF COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCCCCCCC(=O)CC[C@H](C)O 34002563 OROJAERRGGSBPD-OXJNMPFZSA-N 406.519 4.853 0 1 HJAF biogenic O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc2[nH]ccc2c1 36271626 OQKKLDHMNWLVNH-CYXNTTPDSA-N 412.533 4.608 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc4ncccc34)n2)cc(OC)c1OC 40937562 OJILGBVLZVOBKT-UHFFFAOYSA-N 404.426 4.587 0 1 HJAF COc1cccc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)c1 53313435 QKYBTDRNPVPOGN-LJQANCHMSA-N 402.538 4.938 0 1 HJAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C1 82152386 FHOQZQJCPBVCFH-QZTJIDSGSA-N 418.516 4.695 0 1 HJAF O=C(Nc1ccc(Cl)cc1)c1cc(Br)nn1-c1ncccc1Cl 103289743 CURCZEAIXHOPQA-UHFFFAOYSA-N 412.074 4.589 0 1 HJAF CC(=O)c1ccc(N(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1 116962542 BOYIPFULHSQKSB-UHFFFAOYSA-N 413.477 4.647 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(CC4CCOCC4)C3)cc12 226073424 TZAPJJSBUQAKJK-QGZVFWFLSA-N 409.505 4.594 0 1 HJAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586913651 RLHAVXXCCOMADQ-KUHUBIRLSA-N 419.934 4.690 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](O)(c1cccc(F)c1)C3 586988311 IRICNKKISSSPST-SANMLTNESA-N 411.432 4.667 0 1 HJAF N[C@H](N=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587000050 DQDKIFGZMSHDFC-LJQANCHMSA-N 411.259 4.781 0 1 HJAF Cc1nn(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c(C)c1Cl 587064347 AEEZNWOLAVSNAS-UHFFFAOYSA-N 420.673 4.982 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(Br)cc2[nH]1 587065244 MXQYAGZMMYIENM-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(N)c(N)cc2[nH]1 587086458 KSVZLGHOOREBIU-SREVYHEPSA-N 413.312 4.758 0 1 HJAF C[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1C(F)(F)F 587097422 HFPVPASBRGRXRP-LBPRGKRZSA-N 413.403 4.793 0 1 HJAF Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587127059 QXGPFEGHUDHBJE-KRTXAFLBSA-N 414.229 4.805 0 1 HJAF Fc1ccc(Oc2ccc(-c3nc4cc(F)cnc4[nH]3)cn2)c(Br)c1 587161242 NOZKHAHVQWEWDM-UHFFFAOYSA-N 403.186 4.853 0 1 HJAF Cc1cc(Cl)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326673 CYHPWJQCCPFVTE-CVDCTZTESA-N 423.827 4.700 0 1 HJAF COc1ccc(OC)c2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354026 SVHDHRFTAHXABF-DHLKQENFSA-N 420.436 4.749 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N2CCOCC2)C3)c1 587363364 MGAKVCSLNCWAJI-GOSISDBHSA-N 414.505 4.846 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H]1CC[C@@H](C(=O)O)C1)CC2=O 587469140 WVEPJKCCQAGPJN-BEWRWRNKSA-N 412.457 4.845 0 1 HJAF Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587540641 PZZQOVZHLSCZHG-FXAWDEMLSA-N 412.239 4.561 0 1 HJAF Nc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575512 CNLGUMQFZWELJX-OZXSUGGESA-N 409.441 4.880 0 1 HJAF Cc1cc(C)n(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587582388 PCNYYPLKVXZMKK-DHLKQENFSA-N 412.445 4.898 0 1 HJAF Cc1ccc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)o1 587656196 HISFRIZXLIBHFM-UHFFFAOYSA-N 416.387 4.689 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587707342 UFUQDOCKPZQHAK-JDNHERCYSA-N 410.249 4.885 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587769070 MQXSQTUCGFPRNG-WLRWDXFRSA-N 401.279 4.585 0 1 HJAF COc1ccc2[nH]cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587804493 RCXWMZSBQUCECI-PRWKNARSSA-N 403.295 4.876 0 1 HJAF COc1ccc2c(c1)OCC([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 587835596 QJQXOEAYMHLDOW-GIPWTMENSA-N 404.279 4.648 0 1 HJAF COc1ccc2c(c1)C=C([C@@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2 587836628 WMERLFSUBQYDIK-LAJNKCICSA-N 418.306 4.822 0 1 HJAF COc1cc2c(cc1OC)[C@](CCC(=O)O)(c1ccc(C(C)C)cc1)N(C)[C@H](C)C2 962623463 ILVPMFYEWPOQPF-NSYGIPOTSA-N 411.542 4.812 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](CCCc2ccccc2)N1 962922165 CFMXFUYPAKIXTC-ZEQRLZLVSA-N 403.478 4.847 0 1 HJAF CN(C)C(=O)[C@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1 1772589751 QSCIEVZIBBMBBN-HNNXBMFYSA-N 404.489 4.591 0 1 HJAF Cc1cc2nc(CO[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]3F)[nH]c2cc1C 2356302034 KKMAPTMKVOPAPC-PXNSSMCTSA-N 421.438 4.938 0 1 HJAF CC(C)=C[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4[C@@H]5C(=CC[C@H]23)C(=O)O[C@@H]5C[C@@]4(C)O)O1 2356521723 JRMCJWMKLHLRLM-XAGOWPTPSA-N 400.559 4.565 0 1 HJAF CC(C)CC[C@@H]1C[C@@H]2CC[C@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)[N@]4C[C@]34O)N[C@@H]2C1 2356767113 PNYWNZNMNZVBPJ-MNONZUHXSA-N 424.629 4.578 0 1 HJAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](C)C(C)C)c(OC)c1 777007 MRSMWFIYSRMDHC-CQSZACIVSA-N 412.461 4.939 0 1 HJAF O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4208095 RAGVNJAZKKKNJV-JTHBVZDNSA-N 420.896 4.627 0 1 HJAF O=C1C[C@@](COc2ccccc2)(c2ccccc2)OC(=O)[C@H]1SCc1ccccc1 13766537 HEFDPXRBVWPAOK-UKILVPOCSA-N 418.514 4.779 0 1 HJAF CCc1c(Cc2c(F)cccc2F)nc(SCCc2ccc(OC)cc2)[nH]c1=O 28862888 AYYDNYPOVXSKPQ-UHFFFAOYSA-N 416.493 4.545 0 1 HJAF CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 34375648 HPEPSFIQGVIHOG-UHFFFAOYSA-N 417.553 4.835 0 1 HJAF CC(C)NC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 40394489 VFGYFLXLYLUGDR-HXUWFJFHSA-N 406.357 4.818 0 1 HJAF CCCCN(C)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12 40409476 HFZURTFCXRAFDW-UHFFFAOYSA-N 406.313 4.815 0 1 HJAF NNc1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2n1 53226708 PORFDYYIZZIBRA-UHFFFAOYSA-N 406.493 4.681 0 1 HJAF COc1cc(-c2cc3cc(C)ccc3oc2=O)c(Br)c(OC)c1OC 72126053 UJPGWYCWXAMTGV-UHFFFAOYSA-N 405.244 4.557 0 1 HJAF COc1ccc(C2=NN(C(=O)c3cccnc3Cl)[C@H](c3ccc(OC)cc3)C2)cc1 84714829 ZHINWFFSNBLYMW-NRFANRHFSA-N 421.884 4.744 0 1 HJAF O=COc1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1OC=O 89469012 XCAQJQDPFVSLPX-QHCPKHFHSA-N 419.458 4.821 0 1 HJAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1 95555050 AWVVMUPZAROUQV-OAHLLOKOSA-N 412.964 4.503 0 1 HJAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@@H]3N4)cc2)c1 100101463 VUKYBLMZCHZUFO-UBRQYEGLSA-N 401.485 4.773 0 1 HJAF CCN(CC)CCSc1nc2c(Br)cc(Br)cc2[nH]1 138161603 QDNYOMDZNJXZCB-UHFFFAOYSA-N 407.175 4.522 0 1 HJAF CC/C1=C(/c2ccccc2)c2ccc(OC[C@H](O)CO)cc2CCc2ccccc21 169300940 PWNFKFQZMLZBNA-QYRBOEITSA-N 400.518 4.886 0 1 HJAF O[C@@H](CN1CCOCC1)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 169334847 PAFIHENYSQQNFH-FQEVSTJZSA-N 403.309 4.574 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586915449 DFWAWADKWVDCEA-ADLMAVQZSA-N 420.694 4.590 0 1 HJAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 587007428 LJNNLOKGEQVOEE-UHFFFAOYSA-N 414.053 4.525 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2c1 587062832 WXJXNKUPICITII-SFHVURJKSA-N 421.950 4.825 0 1 HJAF Cc1nc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1Br 587227534 ZFZYUAJEFICLLW-CQSZACIVSA-N 409.328 4.785 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587350607 XNOMXEHBUJAIIE-URXFXBBRSA-N 400.409 4.557 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCn1ccnc1)(c1ccc(OC)cc1)CC2=O 587469878 HXMJWDAWJRVTIF-XMMPIXPASA-N 406.482 4.501 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(OC)ccc1O)CC2=O 587476170 DXLLHWCHRSWCMV-RUZDIDTESA-N 404.462 4.968 0 1 HJAF C=CN1CCCC[C@H]([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587516157 ZAHXZBZSCOTQBQ-BKMJKUGQSA-N 416.521 4.593 0 1 HJAF Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 587541820 VSLYUKBNKHFOMQ-UZLBHIALSA-N 412.239 4.561 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580941 TXXJYAYYLKUETM-WIOPSUGQSA-N 415.445 4.544 0 1 HJAF O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587624164 YWSGJXZYQHGBDT-UHFFFAOYSA-N 407.227 4.693 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(C(F)(F)F)N1 587712003 ZFHLKRWBJBFYNL-XXFAHNHDSA-N 404.201 4.634 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)F)cc2)N1 587716162 ISNPBERBXWYYMB-MGNBDDOMSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ccc(F)cc2)N1 587727764 DHHKEIRLNLDTJP-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587728352 FGPVTNVTSKXNDD-RBHXEPJQSA-N 421.241 4.530 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587801458 GQNQSONOBWNTSR-WSVYEEACSA-N 414.322 4.766 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2 587833359 MZHAXMODUDBDBB-QLMNROTDSA-N 420.322 4.934 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)nc3sccn23)N1 587857029 PAZFIZDLUDBLMS-FVMDXXJSSA-N 406.324 4.798 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCCC[C@H]2c2ccc(Br)cc2)N1 962896047 ITLHBIFXDQTIJX-HFSMHLIXSA-N 418.306 4.740 0 1 HJAF C[C@@H]1CN(c2ccccc2[C@@H]2c3ccsc3CCN2Cc2cccnc2)CCO1 963000987 XUJDYBUSTYTJPU-HOYKHHGWSA-N 405.567 4.516 0 1 HJAF CC(C)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)ncnc2N2CCC2)cn1 1857558949 JRTYZFKVTKKCKI-UHFFFAOYSA-N 407.905 4.778 0 1 HJAF COc1cc(C(=O)c2cccc(-c3cncc4ccccc34)n2)cc(OC)c1OC 1857596751 KMIHEOXVMGMZQT-UHFFFAOYSA-N 400.434 4.554 0 1 HJAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1oc1c(C(=O)[C@H](C)CC)c(O)cc(O)c12 1857635135 IEUWCIKYZVYZHM-AOOOYVTPSA-N 400.427 4.866 0 1 HJAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)[C@@H](O)C2=O 2356400197 SUUABGCZKXRNFT-DQEYMECFSA-N 424.493 4.847 0 1 HJAF CC(=O)O[C@H]1[C@H](OC(C)=O)c2c(C)coc2CC(C)=CCC[C@@H](C)[C@H]2CC[C@@]1(C)O2 2356555172 KUTORQUTGLZWRR-AHJYRWHYSA-N 418.530 4.980 0 1 HJAF CC1=C[C@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356575721 YIBSDJRDIBRCNU-AKFKNWHVSA-N 423.601 4.899 0 1 HJAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1OC2=C(c3ccccc3N(O)[C@@H]2C)[C@H]1O 2356810034 AUYTZCXTQMUNJC-KGEBQXBDSA-N 413.558 4.979 0 1 HJAF CN1CCN(c2ccc(Nc3cc4c(cn3)cc(-c3cccc(F)c3)n4C)cc2)CC1 206017612 DTDRMZGKMZAIMR-UHFFFAOYSA-N 415.516 4.875 0 3 HJAF C[C@H]1CCC[C@H](NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)[C@@H]1C 2948329 BKTOHJLNDSKXJS-JQVVWYNYSA-N 422.598 4.837 0 1 HJAF CCN(CC)CCn1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21 7991864 SKMWLGRKOJSJSD-UHFFFAOYSA-N 406.578 4.888 0 1 HJAF CC(C)(Oc1ccccc1)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 13740461 PTUXZXRJIRNUSY-GUKQPVDHSA-N 411.498 4.781 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(F)cc1 26941840 QRXQUYSQEGNIRQ-YOGQACPKSA-N 410.533 4.678 0 1 HJAF O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1 28264743 ABSCVYAEKFIXFO-UHFFFAOYSA-N 419.506 4.527 0 1 HJAF O=C(O)/C(=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1)NC(=O)c1ccccc1 28523549 HPXULSZPVPZFLF-ATVHPVEESA-N 417.339 4.701 0 1 HJAF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)c(Cl)c3)n2C)cc1 29124713 KFLBTXCHQKSJKT-GFMRDNFCSA-N 403.910 4.855 0 1 HJAF COc1cc(C[C@@H](C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 34114027 QWQYPPPWEDOAHA-HZPDHXFCSA-N 418.530 4.796 0 1 HJAF biogenic C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1)c1ccc(F)cc1 36348908 CXHJYPWHKZNVBZ-AWEZNQCLSA-N 400.417 4.783 0 1 HJAF CN1CCN(Cc2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)CC1 40952391 ZSDRWLQDGWEYAF-UHFFFAOYSA-N 400.501 4.783 0 1 HJAF Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc21 64504037 KCVASMRHHADGSC-UHFFFAOYSA-N 408.303 4.647 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(F)cc1 101349512 XBEXHWPCLKUYDD-GFWRIYLXSA-N 400.490 4.761 0 1 HJAF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104071416 ZKZLTNCSYLNMLW-QHCPKHFHSA-N 417.461 4.967 0 1 HJAF Cc1sc2nc(CCCCCN3CCN(c4ccccc4)CC3)nc(O)c2c1C 299870283 WAVPQRDHOFHTLY-UHFFFAOYSA-N 410.587 4.549 0 1 HJAF CN(CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)OC(C)(C)C 586988317 JIUUTJSEGJXIBV-UHFFFAOYSA-N 404.466 4.561 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cs1 587019410 LPBGETUEKISXAL-UHFFFAOYSA-N 414.409 4.856 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 587076476 LWUPEHXZQKOMOZ-ZDUSSCGKSA-N 416.737 4.882 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 587117270 HXSQCRWYPQCQJM-UHFFFAOYSA-N 424.018 4.507 0 1 HJAF Cc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 587194910 ZRTQNNHYVAVNDP-UHFFFAOYSA-N 412.493 4.690 0 1 HJAF C/C(=C\[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587341972 ZZLVJSRGAMVJMA-TZDIHQBASA-N 418.468 4.646 0 1 HJAF Cc1cc(C)nc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587369798 OXLAQRCSHDZRKS-REWPJTCUSA-N 424.497 4.848 0 1 HJAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379438 UVDWSIUOACCJJR-VGSWGCGISA-N 401.890 4.681 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OC(C)C)[C@@H](C2)C3=O 587411647 FTXAOESRWVTNIO-MGPUTAFESA-N 403.272 4.734 0 1 HJAF COc1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587504353 RQNRVNRBAXPJPO-KRWDZBQOSA-N 403.272 4.749 0 1 HJAF Cc1cc(Br)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549854 YOAVOBWIVYZXNY-XLIONFOSSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1 587559179 ZINLQFJOTYGMCC-XLIONFOSSA-N 402.324 4.994 0 1 HJAF COc1ccc2[nH]c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2c1 587587176 GCQCCJJUWABDCV-RDPSFJRHSA-N 401.418 4.893 0 1 HJAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)C 587597130 SKDWXMGUZBVVPT-YKSBVNFPSA-N 406.434 4.891 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCCC3)c2)N1 587720056 QZCVVCSEMSYVAV-YUNKPMOVSA-N 407.302 4.951 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(F)c(F)c2F)N1 587722139 RDSWRHDPOFXNJY-SKLCBMLGSA-N 406.192 4.942 0 1 HJAF CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587722895 UBQXNMIDGTWXER-YYSFKGJASA-N 400.238 4.760 0 1 HJAF C[C@@H](CC(=O)O)[C@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587727063 AAHNNNFZWAOSEZ-XXRNEEKGSA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587773623 ZYWUVDMBUZUOQR-IXPOBCMSSA-N 415.350 4.612 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816493 YWRMLYBFOYLLQQ-WIUDPPPLSA-N 418.306 4.791 0 1 HJAF CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2 653806081 SNUHLFRQGONCCA-UHFFFAOYSA-N 421.541 4.893 0 1 HJAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cccc3c(F)cccc23)N1 962622152 BATSPIMOILICSO-OALUTQOASA-N 405.347 4.566 0 1 HJAF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(NC(=O)Oc3ccccc3)cc1)NCC2 962921613 OYIIFNKZGXGOJW-DEOSSOPVSA-N 404.514 4.564 0 1 HJAF Cc1cccc(I)c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963118427 ZKFBUOPHGGYTQC-DNVCBOLYSA-N 407.270 4.849 0 1 HJAF Cc1c(-c2cnn(CCc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O 1857544150 IHUGPARTPPKJMX-UHFFFAOYSA-N 413.399 4.841 0 1 HJAF CCOC(=O)C1=C2CC[C@@H](C)N2C(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl 1857637848 YAJJXYMKLMMJQC-PIGZYNQJSA-N 419.909 4.739 0 1 HJAF CCC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)CCC(C)=CC[C@H](O)C(C)=Cc1csc(C)n1 2356401688 MAZMBUSHGWINCC-XQYWTEMXSA-N 421.603 4.514 0 1 HJAF CC(=O)O[C@@H]1C=C(C)CC(=O)C[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@@H]12 2356449885 BIVURAJWBKYIFM-REEALYHSSA-N 404.547 4.794 0 1 HJAF C[C@H](N)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3CC[C@]12C 2356559498 FNCLBKRKCPCSJN-URJILCBKSA-N 400.651 4.760 0 1 HJAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccccc12 199710460 BPCYLQVFUMTVSX-UHFFFAOYSA-N 406.445 4.602 0 3 HJAF CC(=O)c1ccccc1N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cccs1 206049391 XDCTZPZTIZSHAN-OAQYLSRUSA-N 408.479 4.514 0 3 HJAF O[C@H](CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccc(F)cc12 594935 GWCXMTRMKIIFDL-JOCHJYFZSA-N 409.530 4.767 0 1 HJAF c1cc(-c2ccc(-c3ccc(C4=NCCCCN4)cc3)o2)ccc1C1=NCCCCN1 1659433 MLQSTFGVAMCDGE-UHFFFAOYSA-N 412.537 4.874 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCOc1ccccc1 4216151 LQQYGAJBROJHFR-ZEQRLZLVSA-N 424.541 4.904 0 1 HJAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc3ccccc3nc1Cl)NC(=S)N2 6521038 KBVJXKBUXYMZSF-GOSISDBHSA-N 405.914 4.772 0 1 HJAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(C(F)(F)F)nc12 13442827 NKESBLJNJIVASL-UHFFFAOYSA-N 405.163 4.544 0 1 HJAF CCCCOc1ccc(C(=O)n2c(C)c(CCC(=O)O)c3cc(OC)ccc32)cc1 28360623 UXCQDNMQHAPVFF-UHFFFAOYSA-N 409.482 4.843 0 1 HJAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2ccc(C(F)(F)F)cc2)CO3)c1C 73162086 AOBDITMBAOPXPY-INIZCTEOSA-N 423.435 4.881 0 1 HJAF CCCCCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 79032526 DEHQNTITQNDAJK-UUYLNXRPSA-N 402.623 4.867 0 1 HJAF CC[C@@H]1CCCCN1c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 82066614 WAPMIMANUSPKAS-MRXNPFEDSA-N 409.490 4.647 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 82143132 VQPNFPXOUWCERL-RTBURBONSA-N 418.541 4.881 0 1 HJAF Cc1sc(NC(=O)C2=C(C(=O)O)CCCC2)c(-c2nc(C3CC3)ns2)c1C 147032916 QUIJVUAQJNLIEN-UHFFFAOYSA-N 403.529 4.655 0 1 HJAF O[C@H](c1ccccc1)[C@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1 169305910 LFNIKHHUYFVLKL-IZDKLJAWSA-N 405.582 4.756 0 1 HJAF Cc1c(F)ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586954829 PPFBBMJXDKZMHU-UHFFFAOYSA-N 423.513 4.732 0 1 HJAF CCOc1cc(/C=C\c2nc3cncc(Cl)c3[nH]2)cc(Br)c1OC 586976828 CCYGBRKPBXLTOS-PLNGDYQASA-N 408.683 4.952 0 1 HJAF CC(C)CCOc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br 587021727 KKEJHEFISHQMTD-SNVBAGLBSA-N 410.337 4.927 0 1 HJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587039707 IHEHBGKWRSKELS-VIFPVBQESA-N 420.279 4.586 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Cl)nc4[nH]3)cc2)cc1F 587147867 UCXWIESOLBJPMS-UHFFFAOYSA-N 408.864 4.758 0 1 HJAF Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342013 LECNPRSIOKRARE-NOZRDPDXSA-N 414.436 4.568 0 1 HJAF Cc1cc(C)n(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 587582427 POCCTCRVDCTPTK-WIOPSUGQSA-N 412.445 4.898 0 1 HJAF O=C(c1ccccc1-n1cccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662334 ZUZGPEUXXHPANI-UHFFFAOYSA-N 409.420 4.682 0 1 HJAF COc1cc2c(cc1Cl)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587692177 AMPFPSSGDQTQBE-APBUJDDRSA-N 410.714 4.974 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1 587841496 BHLXFTYSLSWCPD-ADLMAVQZSA-N 423.351 4.986 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)n(C(F)F)n1 587853959 BSCFAAIFKONRDD-UHFFFAOYSA-N 415.227 4.844 0 1 HJAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCc2ccccc2)C1 618007179 OFZGCVFEZHLTLL-HXUWFJFHSA-N 423.944 4.832 0 1 HJAF COc1ccc2c(c1OC)[C@@](CCCCC(=O)O)(c1cccc(C)c1)N(C)[C@H](C)C2 962566910 JKEZEYNZIQAJNH-IQGLISFBSA-N 411.542 4.777 0 1 HJAF Cc1ccsc1[C@@]1(CCC(=O)O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701404 KCOJSDDFYQBZIW-QVKFZJNVSA-N 405.560 4.668 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@]2(CCCOc3c2ccc2ccccc32)N1)C(F)(F)F 962730673 OSQMYDPZBXKUOC-REWPJTCUSA-N 411.423 4.902 0 1 HJAF COc1ccc(NC(=O)C2CCN(c3nccc4ccsc34)CC2)cc1Cl 1857585874 BHZMELISRYMTNV-UHFFFAOYSA-N 401.919 4.813 0 1 HJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@H](COC(C)=O)[C@H]2CCc1ccoc1C=O 2110038 ZHHSQWXVDIXZCB-TVAUHUISSA-N 418.530 4.600 0 1 HJAF biogenic O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CS[C@H](c2cccnc2)N1 13737444 MKNKCLADYGHTCU-GBXCKJPGSA-N 415.518 4.728 0 1 HJAF CC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40395569 YNWVOIRHEAMLEP-LJQANCHMSA-N 405.329 4.881 0 1 HJAF O=c1c(Br)c(OCc2ccc(F)cc2F)ccn1Cc1cccc(F)c1 49000054 JURCTYDNVUPMHW-UHFFFAOYSA-N 424.216 4.655 0 1 HJAF O=S(=O)(Cc1ccccc1F)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12 59242728 OVJYYXMYQCISTQ-XMMPIXPASA-N 420.509 4.785 0 1 HJAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2c(C)cccc2s1 84652335 KXFQWCYZCISXBX-UHFFFAOYSA-N 400.301 4.629 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H]1CO 95568937 ZDCCTHFLJDTRSL-NIJXNBFTSA-N 416.496 4.507 0 1 HJAF CC1c2cc(c(O)cc2O)C(C)c2cc(c(O)cc2O)C(C)c2cc1c(O)cc2O 101692635 XSORKTRGJIFKRK-UHFFFAOYSA-N 408.450 4.689 0 1 HJAF O[C@@H](Cc1ccc(Br)cc1)CN1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2 136969560 IYFITMLPVWGURC-VSKRKVRLSA-N 400.360 4.763 0 1 HJAF C/C=C/CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169086227 WTRUJFPMRUJYBV-PDMLNYEFSA-N 410.602 4.832 0 1 HJAF Cc1cnc(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)o1 206214058 SMEWAWNKUKQYNY-UHFFFAOYSA-N 418.371 4.583 0 1 HJAF Cc1ccc2nc(/C=C/c3ccc(Br)cc3)nc(NCCN(C)C)c2c1 299867630 QKMCFSDCFNOWKE-YRNVUSSQSA-N 411.347 4.845 0 1 HJAF COC(=O)c1ccnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586998521 LTTMQDNFCZITLA-VQHVLOKHSA-N 424.254 4.937 0 1 HJAF C[C@@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175292 XKQIGAKRKONZBW-DEOSSOPVSA-N 402.425 4.909 0 1 HJAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587327226 FWFMYMQYCIHVDR-SIKLNZKXSA-N 412.800 4.524 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(C)cc1I)O2 587386985 NMGKMBRMARTCLO-QGZVFWFLSA-N 407.251 4.505 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Br)s1)O2 587410799 PUWDQWCESVTDMC-SFHVURJKSA-N 424.316 4.517 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccs4)c(OC)c1)[C@@H](C2)C3=O 587453745 YVCSBJMLOABVAK-SBUREZEXSA-N 408.475 4.833 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC3(C[C@H]2C1)OCC(C)(C)CO3 587491032 MUKYQSFBMWCMDG-MICWEPACSA-N 400.515 4.638 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c(F)c1 587552610 AGDLCAFROSETII-QPPBQGQZSA-N 405.425 4.834 0 1 HJAF COc1ccc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587591611 WLFPTRYUAUGNIV-URXFXBBRSA-N 401.418 4.759 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cs1 587612971 LWAJLYWAVRIVKV-CRAIPNDOSA-N 403.253 4.919 0 1 HJAF CC(C)(C)OC(=O)NCc1[nH]c2cc(Cl)c(F)cc2c1CCCC1OCCO1 587630692 ADMRSXUKTIJHMG-UHFFFAOYSA-N 412.889 4.681 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(O)c2)N1 587680666 UYRHNVHOILVXGX-VPTHRUTESA-N 415.100 4.680 0 1 HJAF COc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587713982 DOJBMKJYUWKROX-XYZCENFISA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)F)c2)N1 587721047 VHFUYSRZZBOXLC-MGNBDDOMSA-N 400.238 4.987 0 1 HJAF Cc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777420 HPNDEUGLPCTNFV-NSPYISDASA-N 401.279 4.774 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795728 JDGULEQPEQQGHY-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587800084 ZWLCIWSHLUAEFO-FKIZINRSSA-N 400.295 4.910 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1 587836298 ZSMUAFPRKHWBEP-NSPYISDASA-N 406.295 4.857 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-c2cnco2)cc1 587862623 SBTFOYFKJQXEBR-UHFFFAOYSA-N 413.355 4.921 0 1 HJAF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cccc(C(=O)O)c1)N(C)[C@H](C)C2 962630457 NLMZYEVXFUBBEZ-QUGAMOGWSA-N 417.505 4.570 0 1 HJAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12c1c(F)cccc1C[C@H]1CCCN12 963095597 CVAJKNCVCMVUKC-RCDHMVLGSA-N 407.529 4.906 0 1 HJAF Nc1nc2ccc([C@@]3(c4ccccc4)NCCc4c(Cl)cc(Cl)cc43)cc2[nH]1 963102688 DXCTXRWHBQRQNH-JOCHJYFZSA-N 409.320 4.890 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCC[C@@H](c3ccccn3)C2)N1 963191327 OYQDGNGVVZNNSO-CCMJGWDWSA-N 424.850 4.906 0 1 HJAF CCCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@@H]1CC2 1857597925 UQJXGXSRRWGAAZ-BKMJKUGQSA-N 421.585 4.678 0 1 HJAF O=C(O)c1cccc(CSc2nc(O)nc(SCc3cccc(Cl)c3)n2)c1 1857599868 UKJZSPIIZXXUJC-UHFFFAOYSA-N 419.915 4.513 0 1 HJAF CSc1nc(-c2ccsc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1 1857617514 SOCMFBRFHWPXSW-UHFFFAOYSA-N 405.552 4.924 0 1 HJAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12 1857634332 DMVCSQZHQVXQHH-UHFFFAOYSA-N 416.308 4.939 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC[C@]4(O)C[C@H](O)CC[C@@]54C)[C@@H]3CN2C1 2356472616 CWNLEIMHIBMIJB-GYJHJXOQSA-N 415.662 4.707 0 1 HJAF CC1(C)C(=O)C=C[C@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@@H]3O[C@@]321 33903655 OQMUOVSEPOBWMK-ORUWQEGCSA-N 422.521 4.893 0 3 HJAF in-vitro O=C([C@@H]1CCCO1)N1CCC(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)CC1 5146118 DROZTTLBYZZCLT-DEOSSOPVSA-N 413.521 4.737 0 1 HJAF O=c1cc(NC2CCN(Cc3ccc4ocnc4c3)CC2)c2cc(Cl)ccc2o1 13673201 WGWDDVTVUIMJOE-UHFFFAOYSA-N 409.873 4.664 0 1 HJAF O=C(O)C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1 13824718 CPGOAJGOPMOMRT-KGLIPLIRSA-N 421.292 4.604 0 1 HJAF O=c1[nH]c(SCc2cccc(F)c2)nc2c1sc(=S)n2-c1ccccc1 17917747 NXSKVEMXGIJPLT-UHFFFAOYSA-N 401.513 4.936 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26389656 KFZWDYQMBIYWFQ-JJZNMPMXSA-N 402.623 4.769 0 1 HJAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(=O)c1cccc(C(F)(F)F)c1 29400749 RFKBUOOIXPMTCS-KRWDZBQOSA-N 413.436 4.694 0 1 HJAF COc1ccc([C@H]2/C=C/CN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 34961624 QCZPYHKLKNCXSP-AWUSRGSFSA-N 410.533 4.822 0 1 HJAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc([C@H](C)N(C)O)nc12 36268621 IAUVQCNEDYDUSQ-JTQLQIEISA-N 421.284 4.580 0 1 HJAF O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2cc(F)cc(F)c12 45201877 ONOOQYHKZOXYCN-UHFFFAOYSA-N 412.267 4.705 0 1 HJAF CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72135649 AMMUGGRFIMMQNM-IHVVFTLQSA-N 416.650 4.971 0 1 HJAF CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(F)cc2)[nH]c1=O 72140843 WCPCOYYSILDHKQ-UHFFFAOYSA-N 409.530 4.717 0 1 HJAF C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)c2)cc1 73196962 CXKFGRCOLUVBGG-LJQANCHMSA-N 406.501 4.897 0 1 HJAF COc1ccc(OC)c(CCNc2cc(-c3ccccc3C(F)(F)F)ncn2)c1 82160695 GSLKWXCXQVCZNV-UHFFFAOYSA-N 403.404 4.834 0 1 HJAF COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)c1OC 82165929 XDLKBJBWZUPBCD-UHFFFAOYSA-N 420.469 4.680 0 1 HJAF Cc1ccc(Nc2ncc3scc(-c4cccc(C(=O)NC5CC5)c4)c3n2)cn1 116846347 OGDUOJPKFJUVGT-UHFFFAOYSA-N 401.495 4.698 0 1 HJAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12 169708395 UCQDNADFDGGOAT-UHFFFAOYSA-N 415.368 4.912 0 1 HJAF Brc1cnc(Nc2ccc3c(c2)CCC3)nc1Nc1cc(C2CC2)[nH]n1 203003497 JWFITXJLLKUJFZ-UHFFFAOYSA-N 411.307 4.816 0 1 HJAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ccccn1 206195331 JSXVJQKBNRXYDB-UHFFFAOYSA-N 414.383 4.682 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccnc(Cl)c2)NC(=O)N1 206338242 CLGSQFRBYZAMPQ-SFHVURJKSA-N 407.886 4.515 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255238612 MWBJDDYEYGDWCZ-PCVJVWMSSA-N 413.646 4.771 0 1 HJAF Cc1cccc(Cl)c1C(=O)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473088018 NFQOHAZHLGREAU-UHFFFAOYSA-N 419.916 4.544 0 1 HJAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 586936524 IOGHDBQLXRKYHL-IBGZPJMESA-N 417.962 4.771 0 1 HJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 586947688 AMTPLAOSGKSPFF-UHFFFAOYSA-N 401.385 4.538 0 1 HJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586962770 HKUURSPWVQAYMT-SNVBAGLBSA-N 419.379 4.659 0 1 HJAF CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)c1OC 586977325 FIJVRPOSDLFKPQ-PLNGDYQASA-N 417.259 4.632 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4nccc(Cl)c4[nH]3)cc2cc1Br 586999262 XFAAXFILQUHEFX-UHFFFAOYSA-N 420.650 4.546 0 1 HJAF CCOC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587017071 HTDQODKQXCNLAY-UHFFFAOYSA-N 415.478 5.155 0 1 HJAF CN1CCN(c2ccc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3c2)CC1 587083338 PCUDUPXQKGDONW-UHFFFAOYSA-N 412.324 4.837 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(F)cc(Br)c2[nH]1 587109660 RFDNVNPEOVLLEO-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF COc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(F)c2)c(F)c1 587149755 ASDDNJWVCZCSLM-UHFFFAOYSA-N 402.451 4.551 0 1 HJAF CSc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170650 SQKDDAPRCMCGCM-UHFFFAOYSA-N 413.499 4.892 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2O 587215100 BJFQNXRIAXPRLR-YRKUREBMSA-N 415.577 4.847 0 1 HJAF CCOC(=O)C[C@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343969 ATTUTZKMYHUUEM-UPVQGACJSA-N 412.457 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O 587424559 ZRVJGXFUGXGNTQ-JCHSIQAQSA-N 417.427 4.747 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)OC(C)(C)C)c(OC)c1)[C@@H](C2)C3=O 587441867 JJRQWVKIYLYWHX-BTYIYWSLSA-N 412.438 4.506 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cnc3c(Br)cc(C)cn13)CC2=O 587460678 VOEOONGNEGNKLO-SFHVURJKSA-N 415.287 4.770 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2Oc2cccc(O)c21 587485596 IWZHZYJNJVZVJZ-XMMPIXPASA-N 404.418 4.771 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cccc(OCOC)c1)(c1ccccn1)CC2=O 587487158 DNKNMJMBEPAAJF-RUZDIDTESA-N 419.477 4.631 0 1 HJAF C[C@]1(CN2C(=O)c3ccccc3N/C2=C/Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499982 XAROZTLVCDEODN-NIQJEMAJSA-N 422.912 4.895 0 1 HJAF CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705701 NWZNIGAEPNPMHX-LTJQTKSSSA-N 416.640 4.997 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2-n2cccn2)N1 587715278 BTXKAOPHEFFWCU-VOJFVSQTSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587721180 PBYOXQMGPZOHOH-HUTHGQBESA-N 414.221 4.707 0 1 HJAF Cc1nccn1-c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587752440 DUUYNAHACVYVGL-LRTDBIEQSA-N 414.322 4.880 0 1 HJAF CCOC(=O)C[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799929 VATKDGZNEYCULC-SZNDQCEHSA-N 420.322 4.514 0 1 HJAF COc1ccc2[nH]cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587804496 RCXWMZSBQUCECI-YBTHPKLGSA-N 403.295 4.876 0 1 HJAF c1ccc(CN2CCN(C[C@@H]3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653702242 AHOQPKNCYXWBKI-MHZLTWQESA-N 412.577 4.927 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccc(O)cc3)cc2)N1 962984970 AHFBBUHYZJONKA-RXVVDRJESA-N 415.823 4.679 0 1 HJAF CCCN1[C@H](c2cccnc2N2CCC(C(=O)OCC)CC2)c2ccccc2C[C@H]1C 963223888 DLUJEUHUOVIIOO-DVECYGJZSA-N 421.585 4.607 0 1 HJAF Cc1ccc(S(=O)(=O)n2ccc3c4c(=O)cc(-c5ccccc5)[nH]c4ccc32)cc1 1772628941 PEWUOUDDEMUJKX-UHFFFAOYSA-N 414.486 4.695 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OCC(C)C)c3)n3c2CCOCC3)cc(C)n1 1772654704 KSIZYZXLNAKHNK-UHFFFAOYSA-N 409.505 4.976 0 1 HJAF CCCCNC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206039384 ZINCUXDFYSNGQK-HXKBJWFLSA-N 412.574 4.695 0 3 HJAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 773370 AKLUFDUHEWFIKR-VQTJNVASSA-N 424.472 4.580 0 1 HJAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCc2ccccc2F)cc1 774372 YTSBUBHIHVYGKQ-UHFFFAOYSA-N 406.413 4.722 0 1 HJAF c1ccc(C(CCc2nc(CCNCCCc3c[nH]cn3)c[nH]2)c2ccccc2)cc1 13530308 IZMLYGSWTATOPU-UHFFFAOYSA-N 413.569 4.662 0 1 HJAF CC(C)C(C/C=C1\C[C@H]([C@H](CO)OC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 26948984 ZKDHGZDBUDHUJV-PISJQVBASA-N 410.595 4.769 0 1 HJAF CC[C@@]1(CCCCN2CCN(c3ccccc3Cl)CC2)C(=O)Nc2ccccc21 29055178 DYRUNNNOQHQRLA-DEOSSOPVSA-N 411.977 4.932 0 1 HJAF CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@@H](O)CO)cc2CCc2ccccc21 33889763 MQEQHACDJPEWRB-QFIPXVFZSA-N 416.517 4.592 0 1 HJAF O=C1OCC2=C1[C@@H](c1cc(Cl)cc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 45484919 FEDJBQVDROTVNO-OAHLLOKOSA-N 410.640 4.744 0 1 HJAF COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccccc2Cl)S3)c1 73294533 CMMBNINETFODBE-HNNXBMFYSA-N 423.723 4.718 0 1 HJAF CC(=O)Nc1ccc(-c2csc(NCCCC(=O)NCc3ccc(C)cc3)n2)cc1 82195720 RVBJDNXCFKFNFH-UHFFFAOYSA-N 422.554 4.585 0 1 HJAF Cc1ccccc1[C@@H](C(=O)NC1CC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 95577087 KFAHFNRWAVZIQS-QHCPKHFHSA-N 422.525 4.791 0 1 HJAF Fc1ccc(C2(COCc3cc(C(F)(F)F)cc(Cl)n3)CCNCC2)cc1 95585913 APJYAVYSAZEVQB-UHFFFAOYSA-N 402.819 4.731 0 1 HJAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1 96177651 OODMIDRNGXKIKY-ZBFHGGJFSA-N 423.463 4.538 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@@H](O)C(C)(C)O3)CC2=O 96285288 FNDSFRGCKATTAY-XZOQPEGZSA-N 408.494 4.682 0 1 HJAF COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3C[C@@](O)(c3ccc(SC)cc3)C4)c2c1 101185202 KNKGKWINGHKSAD-HROJSSOGSA-N 408.567 4.913 0 1 HJAF COC12CC3C[C@H](C1)C(Cc1nnn[nH]1)(c1ccc(-c4ccccc4)cc1)[C@H](C3)C2 103232199 XKMLIUUJBQQYML-PMCNOHILSA-N 400.526 4.572 0 1 HJAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(C(F)(F)F)c1 169723959 ZBTLHKWMVRDATP-WBVHZDCISA-N 411.420 4.668 0 1 HJAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4cc(Cl)cs4)cc3=O)cc21 223456524 XXAWNJXZMKQLSK-UHFFFAOYSA-N 411.914 4.896 0 1 HJAF C[C@@H](CN1Cc2cc(Oc3ccccc3)ccc2NC1=N)C(=O)NCCC(C)(C)C 473233258 VPQNADLZZTVAMP-KRWDZBQOSA-N 408.546 4.830 0 1 HJAF CCCCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br 586958732 HYJPWEJXBDBTAN-UHFFFAOYSA-N 401.326 4.601 0 1 HJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 586980690 DPPKFPFKYLQBMU-UHFFFAOYSA-N 414.234 4.929 0 1 HJAF Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br 586997816 VMOPOLUBFFFQAO-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587013543 PXLNBBLYXSRXBJ-UHFFFAOYSA-N 421.242 4.882 0 1 HJAF CCCCCOc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587248794 FBCQGLGVXZCKDK-UHFFFAOYSA-N 418.291 4.842 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(CCc4ccc(C)c(N)c4)[nH]c3c2)cc1 587251053 XKEMLWDNVKYKDA-UHFFFAOYSA-N 401.466 4.818 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F 587385200 MVNKQXDLMXPVCG-JOCHJYFZSA-N 405.425 4.876 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(F)c1 587553040 DHSCSNVXOURYSB-PXNSSMCTSA-N 402.324 4.836 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587588214 JZEVEXOTDADRBT-WMZHIEFXSA-N 415.401 4.583 0 1 HJAF C[C@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605198 BLHZWIKOKHTYIJ-AUSIDOKSSA-N 422.458 4.603 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cn2)N1 587730544 JIJMXBNPHPHNNA-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587736911 CJAPPNAYIPHIDP-MPBGBICISA-N 422.317 4.520 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587738495 OXACRJZUVNXOHY-YUNKPMOVSA-N 422.317 4.520 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN3CCCC3)cs2)N1 587847316 KGXBRUWOXKZUBH-BLVKFPJESA-N 409.368 4.869 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cn2ccsc2n1 587861490 RIDNESDUPJIAPM-UHFFFAOYSA-N 421.309 4.848 0 1 HJAF COc1ccc2c(c1OC)[C@@](COCc1ccccc1)(C(F)(F)F)N(C)[C@@H](C)C2 962622106 JCXMTCQOIRGOAS-BTYIYWSLSA-N 409.448 4.555 0 1 HJAF COc1cc2c(cc1OC)[C@](c1cccnc1)(c1ccc(F)c(C)c1)N(C)[C@@H](C)C2 962625709 FNRXLMCYNXTLSP-SSOJOUAXSA-N 406.501 4.715 0 1 HJAF CSC(=C[C@@]1(c2ccccc2C)NC[C@H]2CC(=O)N(C)c3cccc1c32)SC 963032670 SKTOCKDXOCPMEE-MWTRTKDXSA-N 410.608 4.859 0 1 HJAF CC1=C[C@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@@H](C(C)C)CC1 963135234 DQHLOFWXOSWZEE-IUSZMWJPSA-N 406.548 4.597 0 1 HJAF Cc1cccc(CN2CCN(C(=S)SCc3nc4ccccc4s3)CC2)c1 1911575497 SHLCCLDOOSZQLT-UHFFFAOYSA-N 413.637 4.941 0 1 HJAF Cc1cc(O)c(C(=O)/C=C/c2cn(-c3ccccc3C)nc2-c2ccccc2)c(=O)o1 7130168 MZVQWVCBYYKLIM-OUKQBFOZSA-N 412.445 4.711 0 1 HJAF Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccnc3ccccc23)cc1 12365505 FMYFBNBXSCWATQ-UHFFFAOYSA-N 416.500 4.627 0 1 HJAF c1ccc(CN2CCC(CCc3noc4cc(N5CCOCC5)ccc34)CC2)cc1 13745751 JCWFCWIJNXZDKN-UHFFFAOYSA-N 405.542 4.509 0 1 HJAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 16031688 QDZWRSVFLOXFHL-ILBGXUMGSA-N 421.500 4.955 0 1 HJAF biogenic COc1ccc(OC(F)(F)F)cc1[C@H]1CO[C@@]2(CCCN[C@H]2c2ccccc2)C1 26654286 GLCIVEUJSREFOQ-CZAAIQMYSA-N 407.432 4.961 0 1 HJAF Oc1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)nn1Cc1cccc(Cl)c1 28765972 FRQUMFHUCMAXAB-UHFFFAOYSA-N 410.779 4.629 0 1 HJAF Cn1c2c(c3cc(O)ccc31)[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)CCC2 29040492 UMHVOYZISKMPIT-CQSZACIVSA-N 418.415 4.632 0 1 HJAF CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@H]1[C@H]23 33902653 IJVOVAHXZFALHZ-CRCKIPIZSA-N 422.477 4.811 0 1 HJAF in-man O=C(NCc1ccc2c(c1)CCO2)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 71788648 IVRHNXDBTVKZAH-UHFFFAOYSA-N 418.884 4.590 0 1 HJAF in-vitro C[C@H]1[C@H](C)CCCN1C(=O)c1nc(Nc2cc3c(cc2F)OCO3)sc1Cl 96283030 GGKQWFQQUMWVOB-ZJUUUORDSA-N 411.886 4.669 0 1 HJAF CCCCOc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 96900506 GPJHZNUMYGPGMZ-SSGLOAFDSA-N 402.531 4.733 0 1 HJAF OC1=NC[C@@H]2[C@H](C=NN2Cc2ccccc2)[C@H](c2ccc(Br)cc2)S1 253783230 XJVLXUUXKGHKOC-KSZLIROESA-N 416.344 4.637 0 1 HJAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 586882164 KYQIAWRKSJCTGV-WAYWQWQTSA-N 422.076 4.853 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccnc(Cl)c3[nH]1)N2 587030633 GXZZGVDMZNBBDM-CAXXOGMASA-N 405.936 4.738 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Cl)ccnc3[nH]2)c1 587047838 ABRDTUUKFLLYER-VOTSOKGWSA-N 418.284 4.655 0 1 HJAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OCC(=O)O 587106197 JEJNMNJMGAFAFL-UHFFFAOYSA-N 411.413 4.585 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587112416 JRNMAMIUXLMIKS-KRWDZBQOSA-N 417.765 4.913 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1 587123156 HAEZUEVCBQWVPH-KBUNVGBDSA-N 418.192 4.636 0 1 HJAF Fc1cc(Br)ccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587143099 WBLNMLBYRDJJMN-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF O=c1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170546 CRJRGHNKSPECIC-UHFFFAOYSA-N 407.207 4.860 0 1 HJAF Fc1ccc2[nH]c(-c3nc4cc(I)cnc4[nH]3)c(Cl)c2c1 587175214 SLSQWLNEBBVURD-UHFFFAOYSA-N 412.593 4.503 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)cc2[nH]1 587198852 STCLQQUWTVSHIL-UHFFFAOYSA-N 421.298 4.851 0 1 HJAF Cc1nc(O)c(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330593 OBMXUAXPAYCWEZ-UGKGYDQZSA-N 413.832 4.868 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cccc(Br)c12 587546514 OGPAQLVSFJTEGI-SIKLNZKXSA-N 423.262 4.958 0 1 HJAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC 587592738 JXOKEDYFNSCWRE-SQJMNOBHSA-N 420.461 4.681 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2Cn2ccnc2)N1 587752082 BMAFUQNNYBEFIH-KKVAFCGZSA-N 406.343 4.795 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1 587834711 SBPULSGBDDQBEN-GQNMWPQZSA-N 420.322 4.770 0 1 HJAF CC[C@H](C)Sc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587840842 NAGYACRGTBMEHO-DINDLPBHSA-N 410.356 4.892 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 587871191 CNTNNYDQLIEDFU-QFIPXVFZSA-N 402.425 4.885 0 1 HJAF O=C(CC1CCN(Cc2ccc(Cl)cc2)CC1)NCCc1c[nH]c2ccccc12 653884658 SEBOWRDZPAEFHP-UHFFFAOYSA-N 409.961 4.782 0 1 HJAF CCn1c([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)nc2c(O)cccc21 962695877 GHXAQUWCFULWCM-CMJOXMDJSA-N 411.546 4.528 0 1 HJAF COc1ccccc1-c1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218128 CBCOQRBSUBMQFN-ZCYQVOJMSA-N 410.473 4.599 0 1 HJAF CCCC[S@](=O)c1sc2nc(-c3nccn3C)cc(-c3ccccc3)c2c1N 1772626805 NPFOQDHYGKUBNG-NDEPHWFRSA-N 410.568 4.854 0 1 HJAF O=C(O)c1cc(NC(=O)c2cccs2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857617343 DTQDKZVEADVHGI-UHFFFAOYSA-N 406.507 4.833 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@@](C)(O)c3ccc(OC)cc3)n2)c1 61904822 BRHWWTVSRQRMFH-QHCPKHFHSA-N 410.539 4.557 0 3 HJAF Cc1cc(=O)c(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581185 CUTHJLRURVNRGL-UHFFFAOYSA-N 408.397 4.705 0 1 HJAF Clc1ccc([C@H]2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl 28882967 RTXNVJXREKUAHX-GOSISDBHSA-N 420.384 4.878 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@@H]3CC[C@@]21C 36153009 CJNYDPBXKCGRGK-DJVCJAGMSA-N 402.623 4.580 0 1 HJAF O=C(NCc1ccccc1)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82140627 YEWOHULDWCBBNS-UHFFFAOYSA-N 404.489 4.957 0 1 HJAF COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 82192672 LWJWHKXIGDNAMA-HNNXBMFYSA-N 416.374 4.706 0 1 HJAF CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(NC(C)=O)cc2)cs1 82193769 QPXQQFBZYXDADI-INIZCTEOSA-N 402.564 4.513 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2)C1 82214728 OMNZGBCFTDJKNA-KDURUIRLSA-N 400.526 4.874 0 1 HJAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1 96170149 SIVHZYRUOXUTLG-UHFFFAOYSA-N 424.834 4.852 0 1 HJAF CCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 103262813 VIXYDHSEHAOHHX-UHFFFAOYSA-N 402.539 4.758 0 1 HJAF CO[C@@H]1O[C@@]2(OC)CC[C@@H](C)[C@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2/C(C)=C\CC=C(C)C 141783193 AYMKZCCQRACJSK-GEALGKINSA-N 406.563 4.865 0 1 HJAF COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CN=O)n32)c1OC 169717380 WBVCEWGVDAMYTP-UHFFFAOYSA-N 411.849 4.872 0 1 HJAF O=c1c2cn[nH]c2c2ccc(-c3ncccc3C(F)(F)F)cc2n1CC(F)(F)F 220079178 CABNJKZVGJLQEQ-UHFFFAOYSA-N 412.293 4.521 0 1 HJAF CC(=O)Oc1c(C(C)C)cc(C=O)c2c1O[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C 238776111 XWAMMEGQPHELCK-WPFOTENUSA-N 416.514 4.913 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(C)c(C)cc3[nH]1)C(=O)OC2 586916392 YFJVYSSSEPAONC-MLPAPPSSSA-N 420.509 4.994 0 1 HJAF Cc1ccc(C)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586962741 YUMLWADUSWXHNH-IHPCNDPISA-N 409.555 4.874 0 1 HJAF C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586962972 VUZZUQGLIGIEMS-ZETCQYMHSA-N 419.226 4.867 0 1 HJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1NC(C)=O 586988748 PJPSDBGADMRTNP-UHFFFAOYSA-N 410.429 4.786 0 1 HJAF CCOC(=O)/C(=C/N(C)C)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 586997672 VSZPOZXLAUVICY-XSFVSMFZSA-N 414.505 4.783 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2 587031161 LXOSKNQZVFJHER-DKBJHAQFSA-N 406.483 4.968 0 1 HJAF Cc1cc(-c2nc3ncc(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058663 HYGYZPCNXKHVIT-UHFFFAOYSA-N 406.852 4.827 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2F)c1 587144008 OXJBYMVFRGGEPU-UHFFFAOYSA-N 420.396 4.514 0 1 HJAF CCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)s1 587410479 NOPFMDQMEXSYGK-QHCPKHFHSA-N 407.491 4.808 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]4CN(Cc5ccccc5)C[C@@H]41)[C@@H](C2)C3=O 587445991 ZURVQDPAVQSNJE-IBBRUMHXSA-N 403.522 4.504 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc(C)c1C)[C@@H](C2)C3=O 587451019 HYSCKKXJHUKHKU-UUOWRZLLSA-N 405.519 4.955 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O 587461419 KFFCHOBUZQPHJO-WHEQGISXSA-N 402.874 4.970 0 1 HJAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(Cl)cn1 587503788 ZDTRYXAETIQJJV-HSZRJFAPSA-N 407.901 4.989 0 1 HJAF CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587526545 YBHYCDFKODRLPZ-SANMLTNESA-N 420.505 4.565 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)nccc21 587552298 PUYYOHITBGUBDK-NQIIRXRSSA-N 406.825 4.635 0 1 HJAF Cc1ccc(C)c([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571885 MWTAVERYQRWYIE-OPIMXGKCSA-N 415.489 4.941 0 1 HJAF Cc1cnc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615089 VNDMZQOMMAWPGG-WIYYLYMNSA-N 404.447 4.651 0 1 HJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(F)cc1F 587622388 MGIBAIYEZIARQJ-UHFFFAOYSA-N 405.202 4.646 0 1 HJAF O=C(c1cccc2cccnc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656462 KZRFVILYJRHIJR-UHFFFAOYSA-N 413.383 4.578 0 1 HJAF O=C(c1ccc2ccccc2c1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659757 CETHPDWAPAHDEF-UHFFFAOYSA-N 410.404 4.750 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2Br)N1 587682519 ZOADLRLLNNHPAN-VPTHRUTESA-N 415.100 4.680 0 1 HJAF Cc1nc2ccncc2cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587780019 XKYMDLVASCWNBX-BIBXISHDSA-N 400.295 4.638 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)s2)N1 587853316 MRTMMOUCYLDLND-GTNSWQLSSA-N 410.356 4.659 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)S1 587857950 WJFBVQJFKGCSFL-FVMDXXJSSA-N 423.355 4.652 0 1 HJAF COc1ccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1 587934981 JVTJWNKBUZQILI-UHFFFAOYSA-N 423.476 4.965 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccc(OCc3cccnc3)cc1)N(C)[C@@H](C)C2 962636464 SHBPZULKQODCLS-XDHUDOTRSA-N 404.510 4.644 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c(Cl)ccc(Cl)c3F)N12 962666050 LZUQTXZIRNONQC-WIYYLYMNSA-N 419.283 4.869 0 1 HJAF CC1(C)CCc2ccccc2[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962676066 XKKMLGCAAQKISW-IZZNHLLZSA-N 400.522 4.549 0 1 HJAF Cc1ccnc([C@]2(c3cc(Cl)ccc3Cl)NCCc3c(C(=O)O)cccc32)c1 963130992 LZQFGCVKGJJGCX-QFIPXVFZSA-N 413.304 4.833 0 1 HJAF CCOC(=O)CC[C@@]1(c2ccc(Cl)s2)NCCc2c(OC)ccc(Cl)c21 963259513 SBXHTWCIUSUYHB-IBGZPJMESA-N 414.354 4.796 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)n3c2CCOCC3)cc(C)n1 1772608381 OXADKDSEETZWCF-UHFFFAOYSA-N 403.404 4.700 0 1 HJAF COc1c(OCC2CC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@H]2C 1772621559 ZGFIDLATCQDHMA-ROUUACIJSA-N 422.569 4.800 0 1 HJAF FC(F)(F)c1cc(CCN2CCNC[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 61711240 BTXVDTFVASAZJF-IBGZPJMESA-N 416.409 4.783 0 3 HJAF CCC[C@@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 14557643 JDIQSGWDOULBFU-RDBSUJKOSA-N 402.487 4.623 0 1 HJAF biogenic,in-vitro COc1ccc([C@@H]2[C@H](CCCc3ccccc3)S(=O)(=O)N2c2ccccc2)cc1 26744314 NBFGJKZQMXZEEW-BJKOFHAPSA-N 407.535 4.978 0 1 HJAF Cc1cccc(NC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 36189190 OEHMLOUHECZJOD-WZAVYVBLSA-N 406.570 4.847 0 1 HJAF CNc1c(Br)cc([C@H](O)C2=CCc3ccccc32)cc1Br 36381173 OTFSPAJAAGLGBA-KRWDZBQOSA-N 409.121 4.926 0 1 HJAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 38299601 QRXNHLRVKKVQFT-RBDMOPTHSA-N 418.474 4.809 0 1 HJAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CCc1cc(OC)c(OC)c(OC)c1 45319755 VWTZDQUBLAKTHA-UHFFFAOYSA-N 417.889 4.809 0 1 HJAF O=C(COc1ccc(-c2cccc(F)c2)cc1)Cn1ccc2cc(C(=O)O)ccc21 49053959 PTPUPPWMHAVTHY-UHFFFAOYSA-N 403.409 4.794 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 58569387 XZGUOAXOYPYCGD-BSRGMJJZSA-N 400.607 4.645 0 1 HJAF CC[C@@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2F)n1 82152898 TYTVVQSWSNTSEU-OAHLLOKOSA-N 410.468 4.605 0 1 HJAF CCOC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C 95554577 BBNRASBPIGYVGU-JYFHCDHNSA-N 424.500 4.575 0 1 HJAF COc1ccc(C(=O)NCCc2ccc(O)cc2)cc1C12CC3CC(CC(C3)C1)C2 103234388 YFUQHJDAFYOKPS-UHFFFAOYSA-N 405.538 4.841 0 1 HJAF C[C@]1(c2cc(Cl)cc(NC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 141459387 ZVUVZWBZCHXFFC-LJQANCHMSA-N 416.959 4.869 0 1 HJAF Cc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(C)cn5)n4)n3)n2)nc1 238809561 WFUIWEAFQWEENR-UHFFFAOYSA-N 415.500 5.946 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 261184474 WYKYOQIFUNOEFB-SAABIXHNSA-N 422.403 4.915 0 1 HJAF OCCCCCCCCCCCc1nc2cc(I)cnc2[nH]1 586894816 VTXNMYXNPQGFGK-UHFFFAOYSA-N 415.319 4.608 0 1 HJAF Cc1cc(F)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 586955763 UNRSLDHIZMVGOX-UHFFFAOYSA-N 415.534 4.702 0 1 HJAF N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1 586997111 MYZVAKFXURESMC-GFCCVEGCSA-N 402.189 4.726 0 1 HJAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587064656 LBOABFZHEKSVKD-UHFFFAOYSA-N 414.870 4.709 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)(C)C 587206207 VSAPSGREXFNHBX-HXUWFJFHSA-N 423.561 4.876 0 1 HJAF Nc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2ccccc2n1 587254065 PSPGLYIYXTZBAW-UHFFFAOYSA-N 407.193 5.142 0 1 HJAF O=C(O)c1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354752 RMSWYBULXOJJBL-WIOPSUGQSA-N 418.420 4.820 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O 587470824 MFRBCYARUXWFDD-XMMPIXPASA-N 407.466 4.573 0 1 HJAF O=C1C[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)Oc2c1ccc1c2CCCC1 587534054 VFNADLRBRWATDJ-VWLOTQADSA-N 402.446 4.591 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)cc2)on1 587569951 JNQWZJTUNBXTJY-NFBKMPQASA-N 403.365 4.889 0 1 HJAF CC(C)(C)OC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1 587661972 VMLQJHWJGUNTST-UHFFFAOYSA-N 417.440 4.542 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccncc3Cl)c(=O)c3ccccc23)c(O)c1 587665410 MJXOJCKPUTVQNT-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)F)N1 587716811 DXHNGOQLJRTWSC-VVVCHXIZSA-N 418.278 4.917 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccncc2)N1 587757407 VNFNNUNOXCTYSP-LHSJRXKWSA-N 414.322 4.651 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H]3CCCC[C@H]3C)CC2)N1 587771681 WMRITBAWNQGSAZ-IIDMSEBBSA-N 409.387 4.992 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC21CCOCC1 587832243 BCAYBWNMYBYWAZ-JLCFBVMHSA-N 416.334 4.719 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cn2ccsc2n1 587866948 NLMRWOAWQSTEHW-UHFFFAOYSA-N 420.416 4.560 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CC[C@H](C)CC1 1772570047 IUOJSKMOBHZXOM-AWEZNQCLSA-N 412.534 4.753 0 1 HJAF COc1cc2ccc(=O)oc2cc1OC(=O)c1c(C)noc1-c1ccc(Cl)cc1 1772639186 NYZKUAHZIWTRDH-UHFFFAOYSA-N 411.797 4.638 0 1 HJAF COc1cc(-c2nc3ccc(/C=C4\SC(=O)NC4=O)cc3[nH]2)ccc1OCC(C)C 1857647742 SESNDEMRCVPOAF-OCKHKDLRSA-N 423.494 4.597 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@H]1C2 2356718832 HNMHZCNKQFPENH-PUTSKGHTSA-N 414.542 4.581 0 1 HJAF O=C(N[C@H](Cc1ccccc1)[P@@](=O)(O)Oc1ccccc1)OCc1ccccc1 146461191 DWXWLXHTRVHYGP-NRFANRHFSA-N 411.394 4.746 0 3 HJAF C[C@H]1N=C(c2ccccc2)c2ccccc2N(CCCOc2ccc(F)cc2)C1=O 3049848 LIGHEMNXAIXIJO-GOSISDBHSA-N 402.469 4.867 0 1 HJAF COc1cc(OC)c([C@H]2[C@@H](C)[C@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 6066905 WCERJEZPIONOJU-TXBABBITSA-N 416.514 4.891 0 1 HJAF in-man CCCSCCCNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(CC)cc1 7003935 BSMFISZAOYBIHN-UHFFFAOYSA-N 410.587 4.863 0 1 HJAF C[C@@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(CCOc1ccccc1)CC3 7991985 OWKXJEZRKSKXOT-LJQANCHMSA-N 400.522 4.647 0 1 HJAF CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2nc(Cl)n(C(C)C)c2n1 13538319 YDDNPUNZPUDYOQ-AWEZNQCLSA-N 423.348 4.886 0 1 HJAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2c(Cl)cc(Cl)cc12 13581552 BLVNYUHPVLKCLO-UHFFFAOYSA-N 414.336 4.952 0 1 HJAF COc1ccc(-c2cc(=O)c3c4c(c(OC)c(OC)c3o2)C=CC(C)(C)O4)cc1OC 14883693 XHVZTOPSHYLRFK-UHFFFAOYSA-N 424.449 4.679 0 1 HJAF biogenic,in-vitro COc1cccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 26952776 FMEUWASIYBNIKU-REYXBCNVSA-N 422.569 4.547 0 1 HJAF Cc1cccc(NC(=O)[C@H]2CC[C@@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 36189198 OEHMLOUHECZJOD-JUSLRPCQSA-N 406.570 4.847 0 1 HJAF Cc1c(OCCCCCN2CCC(O)CC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271267 WWCCBBVMJQCXNV-UHFFFAOYSA-N 421.537 4.774 0 1 HJAF CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 103996392 AOFSJHJDPZCEMV-KKSFZXQISA-N 413.539 4.939 0 1 HJAF O=C(CCc1ccccc1)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169315436 UZZADQUOVDWRIO-DEOSSOPVSA-N 418.880 4.632 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299874884 CBMOGDIWACELMN-VZGVRVRRSA-N 418.578 4.622 0 1 HJAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 586955914 ZQMKBXDEDJPMJN-UHFFFAOYSA-N 417.962 4.908 0 1 HJAF Nc1ccc2[nH]c3c(c2c1)CCc1c-3nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989456 JPYIAKIIVJCZKP-UHFFFAOYSA-N 403.441 4.981 0 1 HJAF CC(C)Oc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br 587044164 QNQXXCFDVLWJFH-UHFFFAOYSA-N 418.316 4.824 0 1 HJAF CCOc1ccccc1[C@](N)(c1nc2ccc(C(F)(F)F)cc2[nH]1)C(F)(F)F 587093654 XREVZRHGSSFWAK-INIZCTEOSA-N 403.326 4.745 0 1 HJAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587194274 PHLBRVSPDYCJOO-LBPRGKRZSA-N 420.863 4.753 0 1 HJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3nc(Br)c[nH]c-3n2)c1 587238429 ITLSYWLWNSKKQL-UHFFFAOYSA-N 409.291 4.677 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(C(C)(C)Br)O2 587382741 ULQFMLBPPSXBJS-LJQANCHMSA-N 410.258 4.890 0 1 HJAF CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587383210 ZEDWGEJZKQLHKH-IVZQSRNASA-N 419.880 4.516 0 1 HJAF Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587532548 OOVFJVSFZJSSKY-ILBGXUMGSA-N 424.562 4.994 0 1 HJAF COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577597 OCKXJICFUMQBDQ-WIOPSUGQSA-N 413.429 4.894 0 1 HJAF Nc1sc2c(c1[C@@]1(C3CC3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 587619009 QFXAPDLFBTUOOM-HYBUGGRVSA-N 419.502 4.792 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(O)c2)N1 587680667 UYRHNVHOILVXGX-ZKANADHPSA-N 415.100 4.680 0 1 HJAF CCOC(=O)c1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587796384 KDRZLMPCAPNQHS-YEJXKQKISA-N 420.322 4.757 0 1 HJAF COCCCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587798432 XUFHGCKABBSPBO-RBZFPXEDSA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587802563 MYZSLEYGULPUCS-FIKIJFGZSA-N 414.322 4.766 0 1 HJAF CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812489 ZOLRYMMMJVGQEZ-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF COc1cccc2c1OCC([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 587835573 QBCMISUXESMRMV-WLRWDXFRSA-N 404.279 4.648 0 1 HJAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587836177 SJJHSBKCDVKMCS-ASSNKEHSSA-N 404.323 4.957 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)NC)CC[C@@]2(C)[C@@H]4CC[C@H]3[C@@]1(C)CO 2356382508 CZXKGNGEDOGNHC-NPNCARCESA-N 402.667 4.594 0 1 HJAF CCCCC[C@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2C=C[C@@H]1O 2356589284 WLRAIWMXLNQMDK-JTHBVZDNSA-N 410.466 4.799 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)C4=CC=C(C(=O)N1)[C@H]32 2356653286 IEOHVPIKTTWVQR-OLNVMRMJSA-N 411.586 4.677 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](O)[C@@]2(C(=O)O)CC(=O)N[C@@H]12 2356805389 VHNPWMQYDSVFFH-RSEQLOHWSA-N 415.574 4.836 0 1 HJAF CCOC(=O)C1=C(CCc2ccccc2)NC(=O)N[C@H]1c1ccc2ccccc2c1 13125927 SBSDXETULGXDPF-QHCPKHFHSA-N 400.478 4.644 0 3 HJAF O=c1[nH]nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1-c1cc(Cl)ccc1O 1552743 BNYUSNMOFGIAGK-UHFFFAOYSA-N 423.700 4.624 0 1 HJAF Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1 3965723 WRQCVLFZYUVEBT-NRFANRHFSA-N 404.432 4.650 0 1 HJAF CC(C)(C)c1ccc(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 13601656 DKAZHQXQIKBPTF-QHCPKHFHSA-N 411.505 4.530 0 1 HJAF CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(-c3ccccc3)cc2)c1 13864713 RCYBYSAMEBZDEK-UHFFFAOYSA-N 404.510 4.973 0 1 HJAF CO[P@](=O)(CCc1c(C)cc(C)cc1-c1ccc(F)c(C)c1)C[C@@H](O)CC(=O)O 13885269 UQEWOVNIGZJYNL-RBSBEOHCSA-N 422.433 4.721 0 1 HJAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3(CO)CCCC3)nc21 26401348 DMOGNNLPJAQGHP-UHFFFAOYSA-N 400.914 4.521 0 1 HJAF CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ccccc21 36409485 JPGWVKKXYFDLIP-UHFFFAOYSA-N 406.457 4.645 0 1 HJAF CC[C@@H]1CCCCN1c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40412236 KTWIOSSRYMSRAX-QGZVFWFLSA-N 409.534 4.503 0 1 HJAF COc1ccc2cc([C@@H](C)C(=O)OCn3c(=O)oc4ccc(Cl)cc43)ccc2c1 43062233 BSJSVCGDOQOZMF-CYBMUJFWSA-N 411.841 4.714 0 1 HJAF O=c1cc(Cn2ccnc2)c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2o1 66128422 ZAHRTXYUTYHLLU-UHFFFAOYSA-N 416.355 4.515 0 1 HJAF CN(C)CCCn1cc(NC(=O)Nc2nccc(-c3ccccc3)n2)c2ccccc21 71317311 HHPKECHVRQHCMB-UHFFFAOYSA-N 414.513 4.694 0 1 HJAF CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3c(Br)cccc23)cc1 72110143 OMYNTAVJGIMZEG-UHFFFAOYSA-N 422.286 4.595 0 1 HJAF O=C(NCc1ccccc1Cl)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82140958 RNMAOHRLYNLSLF-UHFFFAOYSA-N 424.907 4.856 0 1 HJAF CC(=S)NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 103138526 XTUWIEPZNOVYCJ-UHFFFAOYSA-N 419.531 4.589 0 1 HJAF CC(C)(C)c1cc(C(F)(F)F)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O 113735273 ZAODJOCISUBYCU-UHFFFAOYSA-N 404.388 4.802 0 1 HJAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2oc3c(c2c1)[C@H]1CC[C@@H](C3)N1 143452412 KSEGEWPXMRGFJN-BLLLJJGKSA-N 407.413 4.634 0 1 HJAF CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@@H]12 254114637 IRGZJOASCLJVTK-BAHGYDIPSA-N 421.537 4.512 0 1 HJAF CCc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1 299856377 BQTLKRXKSBFWID-HXUWFJFHSA-N 401.514 4.506 0 1 HJAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1CCC(C)C)-c1ccccc1C3=O 586989865 RTIUOVQJMCRBFD-UHFFFAOYSA-N 403.478 4.846 0 1 HJAF CN1CCN(c2ccc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3c2)CC1 587084345 ZDAWBXWFMJWQMF-UHFFFAOYSA-N 403.917 4.697 0 1 HJAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(C(F)(F)F)cccc4[nH]3)no2)n1 587117217 BEFOOTBLQKTEIS-UHFFFAOYSA-N 401.270 4.500 0 1 HJAF Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587221891 WMPMPEMGKZIIMZ-SFHVURJKSA-N 421.298 4.548 0 1 HJAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(O)c1 587240240 HLTAJYHACUYUGT-UHFFFAOYSA-N 411.383 4.842 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587426443 NUEAWMJTFIPRKZ-DVECYGJZSA-N 418.420 4.777 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4OC)nc4ccccn14)[C@@H](C2)C3=O 587437293 ZFKQKFZWFWXHIC-SSOJOUAXSA-N 412.445 4.507 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587446282 BONMJFJWWDDISU-KCMSVQPVSA-N 414.457 4.575 0 1 HJAF COC(=O)c1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496141 HDYPMOHEYPGOBC-LJQANCHMSA-N 415.283 4.821 0 1 HJAF C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587502473 RKDXUQXMOACSOT-QHCPKHFHSA-N 407.901 4.739 0 1 HJAF C[C@@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572671 TZZJJGSCEQMLCK-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF CN(Cc1ccccc1)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574777 YPSHGKRBLITFHI-WIOPSUGQSA-N 417.505 4.881 0 1 HJAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812357 YMZGSWLLWFSTHL-YUNKPMOVSA-N 422.294 4.921 0 1 HJAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587935789 JFERWNZNUMXFLM-VWLOTQADSA-N 413.521 4.584 0 1 HJAF COCOc1ccc([C@]2(c3ccccn3)c3cc(OC)ccc3CCN2C(C)C)cc1 962085817 BHFGITTZFYTJFH-AREMUKBSSA-N 418.537 4.631 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)N(C)[C@H](C)C2 962629795 PZOVBGTZMGWGJH-ASSNKEHSSA-N 407.432 4.697 0 1 HJAF Cc1ccc(NCC[C@@]2(c3ccc(F)cc3)NCCc3nc4ccccn4c32)cc1C 962979983 BFUOUMVTOHVXFZ-SANMLTNESA-N 414.528 4.982 0 1 HJAF COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1OC 1772624327 LZXUCJITOFFZOG-CQSZACIVSA-N 400.887 4.955 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@@H]2[C@H](C)C(=O)O[C@]3(C)CCC=C(C)C[C@H]4O[C@H]3[C@H]2[C@H]41 2356640917 WFKXCGWVYJNIRE-DEZTUBQVSA-N 404.547 4.580 0 1 HJAF COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)c(F)cc1OCc1ccccc1 12480454 QOJJUFMTEHOTMP-UDWIEESQSA-N 403.409 4.758 0 3 HJAF N[C@@H](COCc1ccccc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61927812 BECHOJXKJILSDW-SFHVURJKSA-N 419.510 4.686 0 3 HJAF O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 2480230 PNASRNJZWUEANO-UHFFFAOYSA-N 402.425 4.537 0 1 HJAF CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 2724123 VUKASVOVSFIARN-XMMPIXPASA-N 400.478 4.578 0 1 HJAF COCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 3828084 WHDYQMOSUONVHJ-ZRDIBKRKSA-N 421.859 4.890 0 1 HJAF CCCCC[C@H](O)[C@H](O)/C=C/c1ccccc1[C@@H](O)CCCC(=O)OC(C)(C)C 28869289 CGQQUQIIUFRDEG-DFYMNQRDSA-N 406.563 4.547 0 1 HJAF Cc1ccc(COc2cc(Cl)cc(Cl)c2/C=C/[C@H]2C[C@@H](O)CC(=O)O2)cc1 29413798 PDTMNWKGLJLBSQ-NGHLMZTLSA-N 407.293 4.961 0 1 HJAF Cc1cc(OCCCNC[C@@H]2CCCCN2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49052740 VZDPSNVQCGPKJJ-IBGZPJMESA-N 424.564 4.829 0 1 HJAF Cc1ccncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72109381 QQCKSKXBWXYBNW-UHFFFAOYSA-N 402.404 4.575 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95566724 RHJILHMKDZKQLE-ZTCOLXNVSA-N 420.459 4.622 0 1 HJAF COc1ccc(C2=NO[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@@H]2c2ccccc2)cc1 103236559 WOHSYEDFQRFMMK-NFBKMPQASA-N 404.853 4.714 0 1 HJAF N[C@H]1C=C(c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)CCC1 142884409 QQCWPCSHFHPVFD-OAHLLOKOSA-N 418.451 4.708 0 1 HJAF C[C@@]1(c2cc(Nc3cc(F)cc4cc(Cl)cnc34)ccc2F)COCC(N)=N1 143127314 QMXOUBXMBUQGFI-FQEVSTJZSA-N 402.832 4.513 0 1 HJAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2)c1 169348573 GFRAHYPJSIEVLM-BJMVGYQFSA-N 405.679 4.839 0 1 HJAF CC(C)=CCc1c(O)ccc([C@@H]2COc3cc4c(c(CO)c3C2)CCC(C)(C)O4)c1O 238775636 OPPKROFKMJACMH-INIZCTEOSA-N 424.537 4.921 0 1 HJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586948385 OQOKLVZSNQWIAK-UHFFFAOYSA-N 401.385 4.538 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 587025635 HUGKLHPJAVATLW-KBMXLJTQSA-N 400.935 4.748 0 1 HJAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587041756 GABVJLCXNXATQF-NSHDSACASA-N 402.745 4.599 0 1 HJAF Clc1ccccc1CCc1nc2c(Br)cnc(Br)c2[nH]1 587059272 NGEWKKFUHQRQQS-UHFFFAOYSA-N 415.516 4.922 0 1 HJAF Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073700 LJNIRXCDNYVXPV-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF Cc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br 587132525 RXOGJSQSITWSCK-SNVBAGLBSA-N 416.266 4.603 0 1 HJAF CCCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587157288 SESHXKHQOCHLCB-BUXKBTBVSA-N 404.283 4.595 0 1 HJAF CCOC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183884 KQLFGXDITGASPE-RMKNXTFCSA-N 418.234 4.515 0 1 HJAF CC(C)[C@@H](c1nc2ccnc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198061 SEOQBZSPLMGROH-INIZCTEOSA-N 417.307 4.686 0 1 HJAF COC(=O)c1ccccc1-c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443919 QSRNRJIGIDLOKE-RLWLMLJZSA-N 414.457 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O 587486173 YMICODJUZHSODP-NLFFAJNJSA-N 410.510 4.799 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)c1cccs1)CC2=O 587494896 NZHKHJUSKSAMAJ-QFIPXVFZSA-N 416.495 4.638 0 1 HJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587568607 HTFOLHKDIUIBHW-GBXCKJPGSA-N 406.409 4.950 0 1 HJAF C[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583827 VEGFQWONJACNMY-XZLZDHACSA-N 415.489 4.635 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(OC(F)(F)F)c2)N1 587721339 PFUIKLSSFBPWEF-VPTHRUTESA-N 420.200 4.816 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCN(C)C)c2)N1 587739197 GJUQTUVWINKUHZ-SZNDQCEHSA-N 421.354 4.542 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C)c2-c2ccccc2)N1 587766865 XRELPBYYJCYVHG-BLVKFPJESA-N 400.295 4.612 0 1 HJAF COCc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587802450 SBQPCNQJHSYUCU-MPBGBICISA-N 408.311 4.541 0 1 HJAF CCCCSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587848759 XSQMRJVEKOKOPF-PIGZYNQJSA-N 410.356 4.894 0 1 HJAF CCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC 587862161 GCVPJXYNCFFZFW-UHFFFAOYSA-N 420.387 4.673 0 1 HJAF COc1ccc(-c2cccc([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)n2)cc1 962627263 LDRKCVXNFVJWBM-LMKMVOKYSA-N 404.510 4.740 0 1 HJAF CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963120541 JNHSNXOKYVXUOO-HXUWFJFHSA-N 408.329 4.567 0 1 HJAF O=C(CC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1 1857548184 DJVYRYFCCRWBMS-UHFFFAOYSA-N 404.392 4.814 0 1 HJAF COc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CCC2)c1 1857767604 FAWBSWIPJHTAOZ-UHFFFAOYSA-N 415.537 4.947 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCC(C)(C)CO 4273977 JPWZPDJCFHCLEN-OALUTQOASA-N 412.933 4.628 0 1 HJAF CN(CCCCc1ccccc1)C(=O)c1ccccc1CNCCc1ccc(O)cc1 13589155 NJNKGVYOCWPQJO-UHFFFAOYSA-N 416.565 4.819 0 1 HJAF CCOC(=O)/C=C/C[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26743059 JMWVRWKCLRLICN-FQKQOIFNSA-N 412.489 4.750 0 1 HJAF COc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 26952758 FMEUWASIYBNIKU-SBRWTRJKSA-N 422.569 4.547 0 1 HJAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\Cc2ccccc2)c1 28343863 VAELRKFBGUVAPC-ZROIWOOFSA-N 400.522 4.799 0 1 HJAF COc1c(OC(=O)c2ccc(C)cc2)cc2oc(-c3ccccc3)cc(=O)c2c1O 28366094 GRCVSHLWPOYSNT-UHFFFAOYSA-N 402.402 4.702 0 1 HJAF Cc1cnc2c(C(=O)c3cccs3)cnn2c1-c1cccc(NC(=O)OC(C)C)c1 28819319 CYFKFDVBMOHAKA-UHFFFAOYSA-N 420.494 4.954 0 1 HJAF CC(C)N1CCC[C@@H](n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1 28862326 BWMGZQWVZZKPMM-QGZVFWFLSA-N 417.962 4.568 0 1 HJAF CO[C@@H](CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 34024386 JOHXYKCEQDZHOS-QHCPKHFHSA-N 413.565 4.627 0 1 HJAF Cc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@@H](c3cccs3)C2)cc1 40380753 QVXMEQFRTCVWEH-HXUWFJFHSA-N 400.507 4.659 0 1 HJAF O=C(Nc1ccc(-c2cncc(NCCCN3CCCC3)c2)cc1)c1ccccc1 45325102 OVXCSHGRYRBOME-UHFFFAOYSA-N 400.526 4.899 0 1 HJAF COc1cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)ccc1Cl 45349399 CSSPOPQKEDZPIP-UHFFFAOYSA-N 405.841 4.509 0 1 HJAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)Cc4ccccc4)[C@H]3CC[C@@H]12 58543264 PIZOWAHAZOYXFC-GXGXBEFKSA-N 422.613 4.877 0 1 HJAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179318 ORFVXFHDNJLCHB-LJQANCHMSA-N 415.541 4.739 0 1 HJAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 103995770 GHXBBSITLNDJGJ-ZHRRBRCNSA-N 411.498 4.616 0 1 HJAF Cc1nc2sc3c(c2c(-c2cnn(C)c2)c1[C@@H](OC(C)(C)C)C(=O)O)CCCC3 113123820 GUYHTISXRGEIML-LJQANCHMSA-N 413.543 4.825 0 1 HJAF CCC(=O)c1sc(-c2ccc(F)cc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1 148764552 KLSOHSGYAHFLPJ-UHFFFAOYSA-N 403.500 4.770 0 1 HJAF C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnc(-c3ccc(F)cc3)n21 473100528 HZFBDSBFUYCNMB-LLVKDONJSA-N 405.260 4.608 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 587025907 IXJBZFFKSLSQAS-VHSSKADRSA-N 401.482 4.978 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1 587124170 LYXGUMBRRZPWMD-INWYIAFRSA-N 418.192 4.636 0 1 HJAF Oc1nc(O)c2cc(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)nc2n1 587368129 IOPJHIKNWDQPDB-UHFFFAOYSA-N 405.376 4.734 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)c(Br)c1)[C@@H](C2)C3=O 587421757 RMWOLXZIFKHXLI-APPDUMDISA-N 413.189 4.965 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Br)cccc1OC)CC2=O 587456242 LKWFFMIANAFEQC-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(-c3ccccc3)cc1)CC2=O 587488968 LOZRVCBMNLMGFF-RUZDIDTESA-N 402.446 4.957 0 1 HJAF CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522278 KPRCORPBJWNZGF-GMAHTHKFSA-N 408.494 4.992 0 1 HJAF C[C@@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557871 PLPMAHVQYAOWSQ-URXFXBBRSA-N 416.408 4.594 0 1 HJAF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587567876 AKUNIQYNULJDRA-RDGATRHJSA-N 419.477 4.950 0 1 HJAF COc1ccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1 587657248 SGAYUUXDMPTTLU-UHFFFAOYSA-N 421.428 4.949 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2occc2Br)N1 587680856 QREVRUWEHWQKNT-VXJOIVPMSA-N 403.089 4.741 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(C(F)(F)F)N1 587709050 HMRHSABWTNVGNM-JDNHERCYSA-N 404.201 4.634 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1 587744226 ZLDQADJYXOQYJO-BUXKBTBVSA-N 415.347 4.595 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)n(C)n2)N1 587765858 UQLIQPJASVTFFL-MPBGBICISA-N 400.295 4.612 0 1 HJAF CC(C)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587773329 QLVRLXPJDABWTL-BUXKBTBVSA-N 402.311 4.983 0 1 HJAF COc1ccc(C=O)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 587786589 INXZCDMWAXTJPK-UHFFFAOYSA-N 410.065 4.576 0 1 HJAF COCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587791320 HIXULYDKMXWLKZ-ZUOKHONESA-N 408.311 4.627 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587795209 HYIWFCUBKWKAHC-ZQGRQUNCSA-N 412.343 4.851 0 1 HJAF COc1cc(C)c(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809948 VVJKJKAOHTZYCL-ASSNKEHSSA-N 422.338 4.906 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812129 IHSNPXUPSWBUCZ-JRQSSSKMSA-N 404.323 4.786 0 1 HJAF COc1cc(C[C@@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)ccn1 961773183 DZEALTXKZWAUBH-VWLOTQADSA-N 423.557 4.699 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1c(C)nn(Cc3ccccc3)c1C)N(C)[C@@H](C)C2 962565616 IBKDHQVEEBAVRH-LMKMVOKYSA-N 405.542 4.531 0 1 HJAF CCOC(=O)C(C(=O)OCC)[C@H]1c2ccccc2-c2ccc3ccccc3c2N1C 1857761670 XTWUCDACIUKSCW-HSZRJFAPSA-N 403.478 4.740 0 1 HJAF COc1cc2oc([C@@H]3[C@H](C)[C@H](O)C(C)(C)[C@H]3O)cc2c2c1CC[C@H](c1ccccc1)O2 2356283960 IJFJEKNEACFQBH-NXWLLGJLSA-N 422.521 4.989 0 1 HJAF CCOc1ccccc1C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 1006511 PYCWHNIUJRNFRQ-UHFFFAOYSA-N 422.912 4.964 0 3 HJAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc(Cl)cc6)cccc5c4CCN3C(=O)[C@@H]12 199738146 NBURYQAHQDLUAV-CUCDBKBVSA-N 421.928 4.568 0 3 HJAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCC(C)(C)CO 4310439 MPYVNZQHSMOUDG-MOPGFXCFSA-N 412.933 4.628 0 1 HJAF COCc1cc(I)ccc1Sc1ccccc1CN(C)C 13472751 BEPACNAFCXBJNY-UHFFFAOYSA-N 413.324 4.650 0 1 HJAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1 26269536 QGEFHEBBJFXWMU-IAGOWNOFSA-N 415.574 4.861 0 1 HJAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](Cc3ccc(C(N)=O)cc3)C[C@@H]12 29132839 FIBWARPINSDIDL-HETHRKJOSA-N 417.549 4.688 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 40957685 WFKXCGWVYJNIRE-JOTATDOMSA-N 404.547 4.580 0 1 HJAF CCCCCCSc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1 43078825 WFUBLMJTCADYIZ-UHFFFAOYSA-N 411.011 4.749 0 1 HJAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1 43200203 IDALEPDEBIYNFL-UHFFFAOYSA-N 408.306 4.954 0 1 HJAF CCC[C@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)Nc2ccc(OC)cc2)n1 45187092 FTJJPFJASPVSPF-JXFKEZNVSA-N 413.566 4.859 0 1 HJAF c1ccc(-c2ccc(Oc3cc(N4CCN(c5ccccn5)CC4)ncn3)cc2)cc1 82067382 ICGNDEWLJGVGSH-UHFFFAOYSA-N 409.493 4.658 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc(C)c1 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CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc(C(F)(F)F)cc2)C1 204890945 CJYQVOBNHIXMIK-UHFFFAOYSA-N 417.406 4.661 0 1 HJAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CCCC4)cc3)C2)cc1 221044788 GJXQXVHTDHPOLC-KBMIEXCESA-N 422.569 4.905 0 1 HJAF CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2)CC1 253732106 DWPNFFNLACEBPT-WGSAOQKQSA-N 423.557 4.810 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1OC 586880408 YRSUTKDZNYNSAN-UHFFFAOYSA-N 416.433 4.699 0 1 HJAF CCOC(=O)[C@H](F)[C@@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 586994853 FMJGLZIPBQHZAM-JLCFBVMHSA-N 403.453 4.761 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)cc(OC)c4[nH]3)cc2F)c1 587144166 SOJGMJWCFUXBEO-UHFFFAOYSA-N 422.412 4.760 0 1 HJAF Fc1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 587168636 KCAYDKNTSRPLSA-UHFFFAOYSA-N 405.145 4.942 0 1 HJAF COC(=O)Nc1ccc(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)cc1 587243284 IKYKZBREOUTBAB-UHFFFAOYSA-N 417.421 4.987 0 1 HJAF 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HJAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 12727071 TZMYJNAWWKRUIX-INIZCTEOSA-N 416.321 4.534 0 3 HJAF CCCCC(=O)N(C)c1c(CC)nc2c(OCCOc3ccc(F)cc3)cccn12 61902563 VZVXAZICBYBCBB-UHFFFAOYSA-N 413.493 4.647 0 3 HJAF CC(C)C[C@@H](N)c1csc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)n1 61908766 CHDQXYVYOMHZQT-GOSISDBHSA-N 409.559 4.600 0 3 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)[C@@H]1CCCNC1 13528421 GKFMYDYALVUXPQ-PDSXNHODSA-N 403.651 4.757 0 1 HJAF N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1 13532833 YWZCPTFDCKPYIP-UHFFFAOYSA-N 410.521 4.912 0 1 HJAF CN(C(=O)N1Cc2ccc(Oc3ccccc3)cc2C[C@@H]1C(=O)O)c1ccccc1 13731584 NNPAAYGWKUQAQH-JOCHJYFZSA-N 402.450 4.547 0 1 HJAF COc1cccc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c1OC 19319254 UGEUDCCVECRBFX-QUURXOELSA-N 403.526 4.651 0 1 HJAF COc1ccc(Cl)cc1-c1c(/C=C/CO)c(=O)[nH]c2ccc(C(F)(F)F)cc12 26671383 BBQDEVQRIHLJJD-NSCUHMNNSA-N 409.791 4.881 0 1 HJAF 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CCN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 587105805 ICEJRKFROGAHBM-XMMPIXPASA-N 418.452 4.779 0 1 HJAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)c(O)c2[nH]1)C1CCCC1 587226867 VKMRHTHQYVXAJU-ZDUSSCGKSA-N 410.312 4.787 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357696 NXWMOJQXNQSXTO-NOZRDPDXSA-N 420.436 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCCN3C(=O)OC(C)(C)C)O2 587399666 MNQDKWLHLCBLCI-OAQYLSRUSA-N 408.498 4.971 0 1 HJAF COc1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 587400705 SEWPNTDWYIGBOE-HSZRJFAPSA-N 419.477 4.880 0 1 HJAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587553197 UHYCIQKQUURFSL-NQIIRXRSSA-N 406.825 4.635 0 1 HJAF CCC(C)(C)c1ccc(OCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587565874 WBUBIUDARPQSDE-UHFFFAOYSA-N 404.514 4.585 0 1 HJAF Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577704 LHKGZQQFLJCPNB-JYFHCDHNSA-N 409.441 4.880 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Cn1ccnc1 587579159 STCOAUSEZHSSCI-GQOCTPOGSA-N 404.466 4.570 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12 587701287 AYCCKBDHLSJVFO-LZVRBXCZSA-N 410.670 4.544 0 1 HJAF Cc1ccc2nc(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587780170 YZMKKCHBJXZWDY-NSPYISDASA-N 401.279 4.774 0 1 HJAF COc1cccc(-c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)on2)c1 587797722 RVOWIFKWHGZPHL-GIPWTMENSA-N 417.278 4.875 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2 587828885 ATOFGZWDOSKGDY-JOOBJXAISA-N 420.322 4.934 0 1 HJAF CC[C@@H](C)c1ccc(-n2cccc2[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962924152 NKOYXSXNNZKZDT-CJAUYULYSA-N 401.554 4.928 0 1 HJAF Cc1ccnc([C@@]2(c3ccc(Cl)cc3Cl)NCCc3nc4ccccn4c32)c1 962988248 XPORIILWZZMWOY-JOCHJYFZSA-N 409.320 4.782 0 1 HJAF O=C(C[C@]1(C(F)(F)F)NCCc2c(Cl)cc(Cl)cc21)c1ccc(O)cc1 963106263 KIRRROVTFKZADP-KRWDZBQOSA-N 404.215 4.875 0 1 HJAF Cc1ccc(N(C(=O)c2ccc[nH]2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 1857565304 YUYSRAKIEONAHJ-HSZRJFAPSA-N 416.525 4.555 0 1 HJAF O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCCN1Cc1cccc(O)c1 12304502 NXKWFEKIPJVGDC-QFIPXVFZSA-N 403.482 4.573 0 3 HJAF COc1cccc(C(=O)[C@@H]2CCCN(Cc3cccc(-n4nc(C)cc4C)c3)C2)c1 12387236 WYBFQKZCHHIRIF-JOCHJYFZSA-N 403.526 4.593 0 3 HJAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 200050703 FPJZYORYBCUQEU-RUZDIDTESA-N 412.533 4.973 0 3 HJAF CC(C)c1ccc(-n2cnc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc32)cc1 2926211 RJZYXJNZEUFKBN-UHFFFAOYSA-N 413.477 4.808 0 1 HJAF C[C@@H]1[C@@H](NC(=O)CCCCCn2c(=S)[nH]c3ccsc3c2=O)CCC[C@H]1C 3059270 WZFRTLSNQDADBJ-ILXRZTDVSA-N 407.605 4.622 0 1 HJAF O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1 4238595 XRPPVVPSDJJLAO-UHFFFAOYSA-N 408.820 4.773 0 1 HJAF O=C(OCc1ccc(CN2CCC(O)CC2)o1)[C@H](c1ccccc1)C1CCCCC1 13602020 DDNBSKGLMXNTLR-XMMPIXPASA-N 411.542 4.644 0 1 HJAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc1cc(OC)c(OC)c(OC)c1 13680331 XQQCQCPFCINRKZ-UHFFFAOYSA-N 417.483 4.530 0 1 HJAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(Cc2ccccc2)n1 26666791 ZLBZPXISWSFBTR-UHFFFAOYSA-N 412.515 4.721 0 1 HJAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2Cl)cc1 27082739 QKQKBRQLJBWIFF-UHFFFAOYSA-N 400.809 4.819 0 1 HJAF CC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40395568 YNWVOIRHEAMLEP-IBGZPJMESA-N 405.329 4.881 0 1 HJAF C[C@H](CC(=O)NC1=C(C(=O)O)CCCC1)c1csc(-c2ccc(O)cc2Cl)n1 40938576 XASWVYZEEHXQCU-LLVKDONJSA-N 420.918 4.692 0 1 HJAF COc1ccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)nc1 73161688 RXVPQHPBEQUBMD-UHFFFAOYSA-N 418.472 4.954 0 1 HJAF COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3CCC(C)CC3)n2)cc1 82066099 DEWBAGNYWNRMDC-UHFFFAOYSA-N 423.492 4.660 0 1 HJAF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCC2)nc1-c1ccccc1F 82151984 IJUQUCQRCCGDFV-UHFFFAOYSA-N 422.479 4.749 0 1 HJAF c1csc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)c1 82190513 GWMAEDUZKRRKJF-UHFFFAOYSA-N 424.599 4.714 0 1 HJAF COC1=CC2=C([C@H](OC)[C@H]1c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N(C)[C@@H](C)C2 95486020 DUKVIMHGBJECIJ-MLDPQTPCSA-N 423.553 4.914 0 1 HJAF biogenic,in-vitro Cc1ncncc1NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 117417364 GLFVXQLTWWLREF-UHFFFAOYSA-N 420.370 4.650 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 137113743 NMFWDNZLNHRNAT-SBEAXSITSA-N 413.646 4.627 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4c(C)cccc4Cl)ncc23)ccn1 219763109 OUTAYNKVBFIUID-UHFFFAOYSA-N 406.877 4.612 0 1 HJAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261086024 CNRWQWXTVCUGCK-AQYVVDRMSA-N 412.618 4.912 0 1 HJAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586920043 DWQKLQKQYIWTRG-UHFFFAOYSA-N 410.520 4.697 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586971091 SXRXUHKOKIEJSE-UHFFFAOYSA-N 411.424 4.944 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Cl)nc3[nH]1)N2 587033282 YGFLSTMHYITWMH-DAVUEJTQSA-N 405.936 4.738 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(F)cc3)nc2c1 587168590 JAMVARKNVVZRMS-SNVBAGLBSA-N 407.239 4.781 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c1 587231917 ICPGAICVBDMMSJ-UHFFFAOYSA-N 421.403 4.502 0 1 HJAF Cc1c(Br)cc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2c1C 587247507 NJARQUWMBPGSRG-UHFFFAOYSA-N 401.308 4.989 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cccc1I)CC2=O 587469590 AWUDMZMTBWQIJK-KRWDZBQOSA-N 422.262 4.964 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC1(C)C)CC2=O 587474284 DTMVDBHBEBESCV-HSZRJFAPSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3cnn(C)c3)cc3ccccn13)CC2=O 587487719 NNYUMXQZKLRFJL-QFIPXVFZSA-N 401.466 4.704 0 1 HJAF COc1ccc(CCN2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587512402 DBBZGVAMLHCUCE-UHFFFAOYSA-N 405.538 4.617 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1ccc(Br)cc1C2 587545448 MJMUHMIGJYSJPG-SIKLNZKXSA-N 423.262 4.654 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(F)F 587557213 QRFPLVXKPSXJJD-RXVVDRJESA-N 414.360 4.705 0 1 HJAF C/C(=C\[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587613098 NLFBOBUKKMYABL-WKWUPWNMSA-N 407.491 4.776 0 1 HJAF C[C@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613513 YGRAOFBSBRSONF-WIOPSUGQSA-N 418.445 4.517 0 1 HJAF COc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587614884 DIXYAFHXPNSVHU-WIOPSUGQSA-N 414.413 4.899 0 1 HJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 587649192 LEHMMIPANBFAIB-RCRDTURJSA-N 422.388 4.865 0 1 HJAF COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587690959 AJLOIUFSXHHYKE-NIVTXAMTSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)n2)N1 587738238 LRQSNMKRBSJDEM-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c(F)cc(F)cc32)N1 587739714 VMRZDNJRUZPBIM-GIGQVBGESA-N 412.249 4.817 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)S1 587857948 WJFBVQJFKGCSFL-ABKXIKBNSA-N 423.355 4.652 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2ccccc2F)nn1 587868310 KCBQDYZKJGKUNC-UHFFFAOYSA-N 415.350 4.558 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCc2ccc(F)cc2)(c2ccccc2F)N1 962898986 GPQWMSDVESGQSY-URXFXBBRSA-N 411.423 4.579 0 1 HJAF Cc1cc(=NC(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc[nH]1 1772612263 XPAOAWQDANWQDK-UHFFFAOYSA-N 411.292 4.769 0 1 HJAF O=C(NC1CC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1 1772618098 DPFRXHXJBYZTRN-UHFFFAOYSA-N 423.341 4.968 0 1 HJAF COc1cc(OC(F)(F)F)cc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F 1772620509 PPNCRGSHPUGOHT-CYBMUJFWSA-N 414.351 4.958 0 1 HJAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]45C[C@@]35CC[C@]12C 1857557002 GMNAPBAUIVITMI-ZCDIYSEWSA-N 402.667 4.592 0 1 HJAF O=C(OCc1cc(=O)oc2cc(O)ccc12)OCC1c2ccccc2-c2ccccc21 1911570703 SAXOOPMMEYPTPC-UHFFFAOYSA-N 414.413 4.964 0 1 HJAF COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc([C@@H](C)O)n32)c1OC 13441515 ADUGTJKWTKCYBV-GFCCVEGCSA-N 412.877 4.658 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@@H]1c2ccccc2N[C@@H]1C3 28127013 OZDWUFRFWFSOQE-OJLAZTGCSA-N 416.565 4.667 0 1 HJAF COc1ccc2cc([C@H](C)c3nnc4sc(-c5ccc(N)cc5)nn34)ccc2c1 28823131 PXAIUYLETSNZBK-ZDUSSCGKSA-N 401.495 4.749 0 1 HJAF Cc1ccccc1[C@@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28886160 ZSYIYUSNUHKATO-RUZDIDTESA-N 411.549 4.513 0 1 HJAF Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2Cl)c(Cl)c1 35002808 MSGICQLEOYIRRS-UHFFFAOYSA-N 407.326 4.922 0 1 HJAF O=C(CNC(=O)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 40918573 MDOZGPZABUSJAN-NRFANRHFSA-N 413.304 4.629 0 1 HJAF CC(=O)N1CCC[C@]1(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)OCc1ccccc1 49067621 FVUPKUVURDLNAG-NRFANRHFSA-N 423.406 4.512 0 1 HJAF COc1cc(C[C@H]2CCCCC2=O)c(Br)c(Br)c1OC 73199019 NIFMHYLFHZVFHS-SECBINFHSA-N 406.114 4.531 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2nccn3c(-c4ccc5ccccc5c4)cnc23)cc1 206593829 ICKKQFLWUOGERL-UHFFFAOYSA-N 414.490 4.659 0 1 HJAF FC(F)(F)Oc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br 586919011 WAIFCNWSQJUOAM-AWEZNQCLSA-N 415.165 4.737 0 1 HJAF COC(=O)c1ccnc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc12 586983097 VRKCTBCPAHVCDI-CQSZACIVSA-N 416.319 4.879 0 1 HJAF Cc1nc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1Br 587005598 MHKOQHAXQLEVQW-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Fc1c(F)c(F)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1F 587029872 UUFZSMXRGQWPOD-UHFFFAOYSA-N 403.364 4.641 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587039532 GBPVKZHCOIOMJH-HXUWFJFHSA-N 407.539 4.728 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(Br)c2[nH]1 587078949 DLYDPJUKQMRVSE-LBPRGKRZSA-N 407.674 4.842 0 1 HJAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)N(C)C(=O)OCc1ccccc1 587197967 QOIMJLUYIOLGMF-SFHVURJKSA-N 417.412 4.850 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(C)cc1 587206806 OESZDDDEYJCLMC-OAHLLOKOSA-N 406.711 4.707 0 1 HJAF Cc1oc(-c2ccccc2)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275437 ATZQBGQYWSXHTG-UHFFFAOYSA-N 412.239 4.882 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1OC)CC2=O 587463540 YNRUJQSPUHAWKA-JOCHJYFZSA-N 417.889 4.759 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C1 587519305 YLXYYZQNDMWQQM-DPOKWSEZSA-N 411.542 4.936 0 1 HJAF Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587532554 OOVFJVSFZJSSKY-UKILVPOCSA-N 424.562 4.994 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1 587766783 HIVLJOBYEAXJSV-GIPWTMENSA-N 407.327 4.784 0 1 HJAF COCCCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587798433 XUFHGCKABBSPBO-RNODOKPDSA-N 408.311 4.627 0 1 HJAF Cc1cc(C)c2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)coc2c1 587840509 YGHZZRPYBNKFKL-MPBGBICISA-N 416.290 4.935 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1 587855522 GLZIDKVKPQEDEH-WVDJIFEKSA-N 421.379 4.908 0 1 HJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1 587933831 WGZSZGSJDXLPEM-UHFFFAOYSA-N 400.413 4.936 0 1 HJAF COc1ccc(-c2nc(C)c(COc3ccc4c(c3)OC[C@H]4CC(=O)O)s2)cc1 653717576 YLMINLFFTIVZTE-OAHLLOKOSA-N 411.479 4.657 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C(=O)O)o1)c1cccnc1Cl 963223706 CZRCCLYSPYWFTG-IQMFZBJNSA-N 410.901 4.975 0 1 HJAF 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HOXJCJKAGLDBRI-AOYPEHQESA-N 418.968 4.977 0 1 HJAF CC(=O)O[C@H]1C=CC(C)(C)CC2=C(C)[C@@H](OC(C)=O)[C@]3(C[C@@H](C)C=C3C=C1C)O2 1857742401 BMGXMFMQTBCDGL-DGDLRYFPSA-N 400.515 4.791 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356376212 OSEOLKFRLIPYMG-FQZBYREUSA-N 424.581 4.995 0 1 HJAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 2356522507 JRJQERYJSFEBBL-SZFWQYFESA-N 406.563 4.586 0 1 HJAF N[C@@H](Cc1ccccc1)c1csc(NC(=O)c2cccc(OC(F)(F)F)c2)n1 61906379 LWPVKJGVPMMUTC-HNNXBMFYSA-N 407.417 4.537 0 3 HJAF C[C@@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2ccc(OC(F)(F)F)cc21 61906968 PMPWRHSYYVFADI-INIZCTEOSA-N 405.294 4.936 0 3 HJAF CN1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 3955771 NBZQWEJBRBZJDJ-UHFFFAOYSA-N 408.386 4.672 0 1 HJAF O=C(C(c1ccccc1)c1ccccc1)N1CCc2c(ncn2Cc2ccccc2)C1 13446917 YFRVHFQRIPAXCB-UHFFFAOYSA-N 407.517 4.648 0 1 HJAF Cc1ccccc1N1CCN(CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 13473692 FIFATSPXNYZZFM-SANMLTNESA-N 403.570 4.514 0 1 HJAF Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1C(=O)O 13589564 MNHXBYXMXSZEQV-UHFFFAOYSA-N 407.900 4.876 0 1 HJAF CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)ccc21 14959416 CHRORNOPUHXOJZ-QGZVFWFLSA-N 403.526 4.934 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@@H]3CC[C@]12C 36153020 CJNYDPBXKCGRGK-AQJNIWJSSA-N 402.623 4.580 0 1 HJAF O=C(Nc1ccc([C@H](O)CO)c(-c2ccccc2)c1)c1cc2cc(Cl)ccc2[nH]1 40956046 JAIQNBRFWWXINK-JOCHJYFZSA-N 406.869 4.766 0 1 HJAF COc1cccc2c(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cn(CC3CCCCC3)c12 64573080 GZKSAQUUENNDEG-AZUAARDMSA-N 409.574 4.539 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 73220579 TUABJEAUJJVZMH-QGZVFWFLSA-N 423.528 4.819 0 1 HJAF CCN(CC)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 82066209 FPJZKVWOKRHJBQ-UHFFFAOYSA-N 413.909 4.784 0 1 HJAF CCN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc(C)c1 82147868 XDZPDWGGHDQRRM-UHFFFAOYSA-N 408.933 4.852 0 1 HJAF NC(=O)c1cccc2c(NCc3cccc(Nc4ccc5ccccc5n4)c3)ncnc12 114344706 GAXVSAFEBYRBOY-UHFFFAOYSA-N 420.476 4.633 0 1 HJAF CC(C)=CC(=O)O[C@H]1C2=C[C@@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]2[C@H]1O 238761873 PHLOJVYZZDCBSH-JCKJGOETSA-N 404.591 4.795 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C2 586888681 XDORWTQTKGJQRN-LPEHRKFASA-N 415.209 4.863 0 1 HJAF CC(C)Oc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br 586909250 VXTWMUGECMDZOQ-UHFFFAOYSA-N 401.260 4.751 0 1 HJAF COC(=O)c1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cn1 586981019 DEBLNWVISCHWJW-UHFFFAOYSA-N 418.291 4.599 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(F)cc(C)cc4[nH]3)cc2cc1Br 586999250 WTZNYUHJNNWOFA-UHFFFAOYSA-N 417.234 4.945 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587042832 NEGJDKMBUJECGY-HNNXBMFYSA-N 403.301 4.892 0 1 HJAF FC(F)(F)c1cncc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587115595 QUPXSKRGLUAMDZ-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cc(F)cc(-c4cccc(OC)c4)c3)nc2cc1OC 587160526 VAGCUFARSPSKIL-UHFFFAOYSA-N 406.413 4.840 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(SC)ccc2[nH]1 587181602 WQIBMQRFCKGNAU-SECBINFHSA-N 412.300 4.724 0 1 HJAF CC(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341662 ZPWHAWPXWHNAAQ-ISKFKSNPSA-N 405.425 4.764 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3[nH]nc(Br)c3c1)CC2=O 587457927 DLXLWHMYCYAZKB-KRWDZBQOSA-N 401.260 4.690 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3ccc(=O)oc3c1)CC2=O 587482195 CMIXFHAFEITCMI-BSEYFRJRSA-N 408.450 4.643 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)CC2=O 587488064 HDHVHINLUVDLOJ-RUZDIDTESA-N 417.461 4.541 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Br)c1 587538835 GVSPICKTIIOEOE-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2ccc(Cl)cc12 587550461 BAMQWBDDJSCFHG-WIYYLYMNSA-N 407.809 4.935 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cnccn2)cc1 587584743 AHOSRFKLXIOJDK-ZJSXRUAMSA-N 412.401 4.677 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCOCC1 587605735 ATCHWRUVFPWNSK-RDGATRHJSA-N 402.446 4.676 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc2c(n1)-c1ccccc1CC2 587661945 UOGSUXXYFBZMTQ-UHFFFAOYSA-N 420.447 4.747 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2Br)N1 587679442 QSDBCFBCEQSIEP-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1 587711938 YPFPUJRCRYPEPY-SEFYAATASA-N 408.233 4.639 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cccs2)N1 587720863 OHOMZQZKLRTZAD-HUTHGQBESA-N 418.278 4.652 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(Cc3ccccc3)c2)N1 587762447 DVXCFNQILLKNTO-SZNDQCEHSA-N 414.322 4.631 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3cnccn3)c2)N1 587774934 OJUKJJQAPZOYGE-MPBGBICISA-N 414.278 4.794 0 1 HJAF CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587799288 ROXPBRPWVHQBTA-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF COc1ccc2[nH]cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587801096 DMRGLNUFXUDVNO-GIPWTMENSA-N 403.295 4.876 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587806687 IITNKRPXFPSADH-XUSGNXJCSA-N 420.322 4.720 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2 587829245 BLNTZPXJPLSLKR-SUTOTMHJSA-N 406.295 4.544 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCO3)N1 587835848 QUXWHZUHFJRWAI-YUNKPMOVSA-N 406.295 4.699 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1ccc(OCCN3CCCCC3)cc1)N(C)[C@@H](C)C2 962643562 XMUCNVWXDRFAAK-AFMDSPMNSA-N 424.585 4.534 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962714846 TUOKMCWTOMPJRK-DVECYGJZSA-N 413.558 4.996 0 1 HJAF COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)c2ccc(F)cc2C[C@@H]2CCCN21 963094702 CTYJFMWZIUPUIU-SDIFJKIHSA-N 423.528 4.989 0 1 HJAF CC[C@]1(c2cccc(C(F)(F)F)c2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963217934 BBVJYFIDWDSXOE-WIYYLYMNSA-N 418.390 4.645 0 1 HJAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@]42CCCc3scnc32)cc1 963831356 FUYWBGACIJGFQX-DEOSSOPVSA-N 401.535 4.929 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)C21C[C@@H]2CSC[C@H]2C1 963915333 MEIOESFWXBSIKD-KZNAEPCWSA-N 417.571 4.600 0 1 HJAF O=C(N[C@@H]1CCSC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n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c1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O 11709533 BIAXDIHWWIGRNN-KRWDZBQOSA-N 407.432 4.905 0 3 HJAF CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763281 YHBOTWQRAUADGI-QFIPXVFZSA-N 424.516 4.542 0 1 HJAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCCC2)[C@H]1c1c[nH]c2ccccc12 2469324 NHESVOSAMPVXMO-DNQXCXABSA-N 415.537 4.917 0 1 HJAF CN(C)CCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815239 PUGPTATVELXSCS-UHFFFAOYSA-N 410.319 4.652 0 1 HJAF O=C1C(c2sc3ccc4c(c3c2O)C(=O)c2ccccc2C4=O)=Nc2ccccc21 4266071 JXZOUXOXPGGGGU-UHFFFAOYSA-N 409.422 4.699 0 1 HJAF biogenic Cc1cccc(COc2nn3c(-c4ccsc4)nnc3c3c2C2CCC3CC2)n1 13560496 YANZZUJLDNPDPI-UHFFFAOYSA-N 403.511 4.890 0 1 HJAF OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccn(-c3ccccc3)c2)CC1 13744969 TVQJPTVBALUGFW-UHFFFAOYSA-N 400.444 4.980 0 1 HJAF COC(=O)C(C)(C)N(O)C(=O)NCc1cccc(OC/C=C(\C)CCC=C(C)C)c1 26822202 YADPIYFAQPFLEU-QGOAFFKASA-N 418.534 4.611 0 1 HJAF Cc1ccc(-c2ccc(C[C@@H]3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cc1 40564950 QXUIQDFKXNDNNX-NRFANRHFSA-N 404.897 4.633 0 1 HJAF CC[C@H](C)CNC(=O)c1ccnc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 45202322 QSCZHTGGIVSYMH-IBGZPJMESA-N 413.565 4.782 0 1 HJAF Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(C(=O)N(C)C)o3)cc12 66156973 KOCORJDXJVQYRV-UHFFFAOYSA-N 406.511 4.598 0 1 HJAF CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)cc2OC)cs1 82197848 IMERZPZNIUSNMN-HNNXBMFYSA-N 405.564 4.572 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1ccno1)(C3)C2 101068850 PLQQJMFGNKDHGI-AWTVABGGSA-N 414.933 4.748 0 1 HJAF CO[C@H](/C=C/[C@@H]1CCC(=O)O1)CCCCCC=C(Br)Br 198355080 VKOGIGKSQGLZNY-AYSSICMYSA-N 410.146 4.845 0 1 HJAF Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)c(C)c1NC(=O)c1cnc2ccccn12 206117489 LEKPOEMXPKTFIQ-UHFFFAOYSA-N 423.423 4.766 0 1 HJAF Fc1c(Cl)cccc1[C@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 213614346 OSNZJNICECYWHS-UONOGXRCSA-N 408.662 4.971 0 1 HJAF Cc1cnc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2)c(-c2ccc(C)s2)c1 299831358 YSWFRJAPOKMMFK-UHFFFAOYSA-N 417.494 4.655 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586917361 STQBNKCUZFMFAX-AVRWGWEMSA-N 412.493 4.611 0 1 HJAF O=C1CC=C(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1 587162938 HNINZJCLSMYJTC-UHFFFAOYSA-N 424.785 4.652 0 1 HJAF CCOC(=O)[C@@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347025 KNTSGBTVHSWEAG-CVDCTZTESA-N 400.446 4.628 0 1 HJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347205 TZIXDVIKDGVNJR-JIEYXDDVSA-N 409.501 4.913 0 1 HJAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352817 YAVZXOUSVXFCDJ-SPRNXBNASA-N 412.457 4.628 0 1 HJAF COc1ccc2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359965 TUVKDUBOXNCSST-ISKFKSNPSA-N 406.409 4.577 0 1 HJAF COc1ccc(CC[C@@]2(C3(O)CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403631 JULGXIRZKXVLIX-VWLOTQADSA-N 409.526 4.618 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1Br)CC2=O 587456234 LFQLGFUHYCQOLX-KRWDZBQOSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCCN)cc1)CC2=O 587472758 MJRJCBDXLKQTGC-AREMUKBSSA-N 417.505 4.591 0 1 HJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@](O)(c1ccccc1)C(F)(F)F 587621997 SWXQBHPLGSCDBT-QGZVFWFLSA-N 424.220 4.913 0 1 HJAF Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587658092 FPPSWDMGOONVDH-QGZVFWFLSA-N 416.452 4.927 0 1 HJAF COc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587721714 XDZUGAAGBWBJFT-HUTHGQBESA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587728560 FIRMIGWBGPDCMA-ZRNGKTOUSA-N 422.248 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1 587731029 GRFXZNSIJVULQR-ODXCJYRJSA-N 418.285 4.596 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)cc2)N1 587761186 TUZMZNPDSKDIGB-ZUOKHONESA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCC2=O)N1 587822709 MDZJUVDJGMLXAC-NZCGUCNHSA-N 402.307 4.735 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1 587828102 MGGIOYZPVMFOBW-SBKAZYGRSA-N 422.294 4.630 0 1 HJAF Cc1cc(C)c2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)coc2c1 587837369 GESHJCAXCWHETI-ODXCJYRJSA-N 416.290 4.935 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1Cc2c(ccc3ccccc23)O1 587871189 CNTNNYDQLIEDFU-JOCHJYFZSA-N 402.425 4.885 0 1 HJAF CCC(=O)N(C[C@H]1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccccc1 653777869 MSWKQEUSFJHFAI-NOZRDPDXSA-N 406.570 4.854 0 1 HJAF CC(C)(C)[C@]1(C[C@](O)(c2ccccc2)C(F)(F)F)NCCc2nc3ccccn3c21 962982770 KFRKFEXVZDZFCP-YADHBBJMSA-N 417.475 4.562 0 1 HJAF C[C@@H]1CN(c2ccccc2[C@H]2c3ccsc3CCN2Cc2cccnc2)CCO1 963000993 XUJDYBUSTYTJPU-KOSHJBKYSA-N 405.567 4.516 0 1 HJAF Cc1sc2c(c1C)CCN[C@@]21CCCc2ccc(I)cc21 963005147 DIVRYSICHJBGFW-GOSISDBHSA-N 409.336 4.695 0 1 HJAF Cc1cc(=O)oc2cc(CN3C(=O)[C@@H](n4c(C)ccc4C)c4cccc(F)c43)ccc12 206030801 ROWQGIBNNJUSEA-DEOSSOPVSA-N 416.452 4.795 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc(OCC)c1 4055529 GLBDKMVDGQYKQZ-TZIWHRDSSA-N 400.906 4.747 0 1 HJAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2 5070929 GRBVTMYPYRNUJW-GGAORHGYSA-N 422.569 4.504 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 13374490 JCUWKPURUZEBFJ-INSIIIQSSA-N 412.526 4.789 0 1 HJAF endogenous,in-man CC(C)(Cc1c[nH]c2ccccc12)NC[C@H](O)COc1ccccc1C(F)(F)F 26732473 JVQVNKOTGWQYMC-INIZCTEOSA-N 406.448 4.537 0 1 HJAF COc1cccc([C@@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)c1 40466528 YRUCMWSDUZRFIV-DEOSSOPVSA-N 417.486 4.845 0 1 HJAF Cc1ccc([C@@H]2C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]3[C@@]2(O)c2ccc(C)cc2)cc1 40764016 GVZIDPVQFYQPKG-JVOXNHGTSA-N 411.501 4.746 0 1 HJAF O=c1cc(Cn2c(C3CCC3)nc3c(Cl)ccnc32)c2ccc(F)c(F)c2[nH]1 59097276 DEMCTPOHAFTGAY-UHFFFAOYSA-N 400.816 4.520 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(O[C@H](C)CCc3ccccc3)ccc21 73220576 OPSXJPSXEZMFOW-GOSISDBHSA-N 405.538 4.823 0 1 HJAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCN1CCCCC1 82181355 AFDOQRCZDQTLJC-UHFFFAOYSA-N 412.969 4.530 0 1 HJAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCc1ccccn1 82186160 TVXAZYHYVMLETC-UHFFFAOYSA-N 416.529 4.742 0 1 HJAF C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2C[C@H]1CCCO1)c1ccccc1 82188233 MPKGJOANCYOGSD-VQIMIIECSA-N 419.554 4.949 0 1 HJAF CN(C)c1cc[n+](Cc2ccc(-c3ccc(COc4cccc(N)c4)cc3)cc2)cc1 96938857 MIGHLFXMVRNNHZ-UHFFFAOYSA-N 410.541 4.917 0 1 HJAF N#Cc1cccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccc(F)cc2)c1 115923734 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HJAF CC(=O)c1cccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587569514 QNGSBEQSZOONFP-PZJWPPBQSA-N 406.409 4.697 0 1 HJAF Cc1ccccc1-n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587583258 VENBODQXEJMOLJ-DHLKQENFSA-N 412.445 4.763 0 1 HJAF CCc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587614003 ZXJDVNORVFPNFV-SQJMNOBHSA-N 414.413 4.764 0 1 HJAF CCCCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587615562 YLNUBJRDQWLAIM-RXVVDRJESA-N 408.479 4.777 0 1 HJAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622378 MAASHSQXWDJXJN-UHFFFAOYSA-N 420.213 4.929 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587795206 HYIWFCUBKWKAHC-KPHUOKFYSA-N 412.343 4.851 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587801457 GQNQSONOBWNTSR-WIUDPPPLSA-N 414.322 4.766 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1 587837014 CWDJVFGXJZCCJU-HTGLOVNISA-N 422.294 4.534 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@@]12C(=O)c1c(C)cc(C)cc1CC2(C)C 961316829 CSRUBMFDMJNJCP-MHZLTWQESA-N 421.581 4.867 0 1 HJAF COc1cc(OC)cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962632257 LEWBTXCHUOWJNZ-GJZUVCINSA-N 400.522 4.540 0 1 HJAF Cc1ccsc1[C@]1(CCC(=O)O)c2cccc(F)c2CCN1[C@H]1CCSC1 962701401 KCOJSDDFYQBZIW-BTYIYWSLSA-N 405.560 4.668 0 1 HJAF Cc1ccc([C@@]2(c3cnccc3C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962759472 BLGYWHRAVSXDHE-JTHBVZDNSA-N 410.439 4.636 0 1 HJAF c1ccc(CN2C[C@@H]3C[C@H](C2)C32c3ccsc3CCN2Cc2cccnc2)cc1 963001937 YIHPRUMTQJTSOH-OFFJZUQKSA-N 401.579 4.549 0 1 HJAF Oc1ccc2c(c1)[C@@](c1ccc(F)cc1)(C1CCN(Cc3ccccc3)CC1)NCC2 963354293 VZKSKEALIBPRFX-HHHXNRCGSA-N 416.540 4.833 0 1 HJAF C[C@H]1c2cc(F)cnc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772570131 TYSSPUKARDEYKD-MOPGFXCFSA-N 418.516 4.902 0 1 HJAF COc1cc(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc(OC)c1OC 1857577356 GKTWCSNAWGADPC-UHFFFAOYSA-N 418.449 4.702 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356376215 OSEOLKFRLIPYMG-YLIBFFDSSA-N 424.581 4.995 0 1 HJAF CCN1c2ncc(CCc3ccccc3C)cc2C(=O)N(C)c2ccc(Cl)nc21 6385129 DQPBPIBEYGXXRJ-UHFFFAOYSA-N 406.917 4.972 0 1 HJAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(Cl)c(F)c4)c3)cc12 6718674 VUDFVJOMOPUVQE-KRWDZBQOSA-N 410.880 4.675 0 1 HJAF COc1cc(-c2csc3ncnc(N)c23)ccc1NC(=O)Nc1cccc(C)c1 13673688 RGUYCALMJCWDEH-UHFFFAOYSA-N 405.483 4.902 0 1 HJAF O=C(Nc1ccc2ncccc2c1)N1CCN(c2ccccc2C(F)(F)F)CC1 28112443 FOCXSNFCUSTYMQ-UHFFFAOYSA-N 400.404 4.608 0 1 HJAF CC(C)(C[C@@](O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1 28525505 HQVKFEYATUGVGI-SANMLTNESA-N 415.489 4.551 0 1 HJAF O=C(CCCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl 28646889 JHNIHGQVLJOXED-UHFFFAOYSA-N 406.357 4.924 0 1 HJAF CCc1nc2c(C)cc(C)nn2c1Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 36175942 SLJYWTLSAGYJBD-HSZRJFAPSA-N 415.493 4.704 0 1 HJAF O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C(F)(F)F 45261557 UFNKMQYZJQULQP-INIZCTEOSA-N 413.808 4.542 0 1 HJAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(C)(C)C(=O)O5)[C@@H]3CC[C@@H]12 49000011 LFEBTWSCLAPHNR-ADUFETQJSA-N 401.591 4.952 0 1 HJAF Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCC3)C2)cc1 72123585 CBXDCFAKWOJLIL-HSZRJFAPSA-N 416.569 4.813 0 1 HJAF Cc1cc(C(=O)NN2CCCCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12 73170161 MTJPGEBUSHWHSL-UHFFFAOYSA-N 414.937 4.894 0 1 HJAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187242 XTMMODRIWPQUEQ-MRXNPFEDSA-N 404.493 4.728 0 1 HJAF Cc1cc(C)cc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 96173054 TWSRMFCCEFUHAK-UHFFFAOYSA-N 414.553 4.656 0 1 HJAF O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1 96173987 WYFHBGGDHNLLFD-UHFFFAOYSA-N 407.477 4.965 0 1 HJAF Clc1cccc([C@@H]2CCN(c3nncc(-c4ccc(Br)cc4)n3)C2)c1 103226895 PZMDCHLFHVYJRI-OAHLLOKOSA-N 415.722 4.948 0 1 HJAF CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104004039 SOJWIVBCSSNOOX-JOCHJYFZSA-N 417.465 4.566 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144305400 YOKTVDSUNBHKOQ-QFIPXVFZSA-N 415.493 4.676 0 1 HJAF COc1ccccc1N1C(=O)CS[C@H]1c1cccc(C(=O)Nc2ccccc2)c1 169342691 IOJPJRUNOXCDQB-QHCPKHFHSA-N 404.491 4.726 0 1 HJAF C[C@H]1Cc2c(nnn2-c2ccccc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 226009018 CJGVMBDHPYMJDI-LBPRGKRZSA-N 420.822 4.527 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1CC(C)=CC[C@@]2(C)[C@@H](OC(=O)/C(C)=C\C)C[C@@](O)(C(C)C)[C@H]12 238756060 LBJPCDBPHHIOKJ-OKFIYNGZSA-N 418.574 4.896 0 1 HJAF O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 261085943 CNEBXWXMELJZFE-FZNQNYSPSA-N 414.868 4.636 0 1 HJAF c1ccc2cc3[nH]c(CSc4nnc(-c5ccc6c(c5)OCO6)o4)nc3cc2c1 586968795 CTCXKCPCSUKTBE-UHFFFAOYSA-N 402.435 4.787 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)c(F)cc2[nH]1 587109654 QUFWTARFEDODHO-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF Cc1nccc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 587194083 KVWXUUDPGSTUJF-UHFFFAOYSA-N 412.493 4.690 0 1 HJAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349255 UBPSEUXAHAHJPP-NRSLUSSRSA-N 417.436 4.648 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc31)O2 587385617 UJTLOKMXXOKLKE-HSZRJFAPSA-N 412.461 4.722 0 1 HJAF COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O 587426470 OKVFLKLDTKUMIS-MBSDFSHPSA-N 409.844 4.768 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cnc(Cl)s4)cc1)[C@@H](C2)C3=O 587453561 XEVCMDGZKIANIG-OXJNMPFZSA-N 413.882 4.873 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587582243 YZGXVMSFVKACEP-RCZVLFRGSA-N 417.461 4.758 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cccnc12 587778892 OPXQUOASTPEOOB-XUSGNXJCSA-N 411.274 4.915 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)cc1C(=O)O 587869795 RWXROHGSPRAUOB-UHFFFAOYSA-N 405.223 4.538 0 1 HJAF CCOC(=O)CC[C@]1(C2CCCC2)NC2(CC2)Cc2ccc(Br)cc21 961613150 GQYGMFIXTWJODW-OAQYLSRUSA-N 406.364 4.856 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CNC21CCN(C2CCCC2)CC1 962963985 XNSMJSFDKCPCSP-UHFFFAOYSA-N 408.508 4.591 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(Cc1ccc(F)cc1)c1cccc(Br)c1 963075358 RVDRJWVMHVOHIK-QFIPXVFZSA-N 411.318 4.924 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cccc(-c2ccc(C(=O)O)cc2)c1 963634627 KZSUBKVEYBVIBO-QMTYFTJSSA-N 417.505 4.867 0 1 HJAF Clc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 1857628543 QCQQQZSWJWFIFV-JOCHJYFZSA-N 423.940 4.668 0 1 HJAF Cc1ccc2cc3cc(C(=O)NCCCN4CCc5ccccc5C4)sc3nc2c1 4886207 ABPAEUFNTXEQJR-UHFFFAOYSA-N 415.562 4.936 0 1 HJAF O=c1cc(N2CCOCC2)oc2c(-c3ccc(OCc4ccccc4)cc3)cccc12 13677263 JSPKILGCSQXPQO-UHFFFAOYSA-N 413.473 4.876 0 1 HJAF CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 26739513 SRYWELZLHAXJEA-XCRXIFFPSA-N 418.581 4.968 0 1 HJAF investigational Cc1cccc(-c2nc(SC[C@@H]3C[C@@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1 27433513 LDYIMNWESYEUBM-YADARESESA-N 422.550 4.909 0 1 HJAF O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H](c1ccccc1)n1ccnc1 71316752 SGJZRIGVGSTPGD-JOCHJYFZSA-N 415.880 4.996 0 1 HJAF CCC(CC)COc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72118163 KMGYVDWACWQOAA-LJQANCHMSA-N 409.526 4.991 0 1 HJAF C[C@@H]1C[C@@H](C)CN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)C1 95573524 BENPELZFEHWECG-RTBURBONSA-N 410.521 4.882 0 1 HJAF CC(C)[C@@H]1C(=O)N[C@H](c2ccccc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C 95660951 VBTCZVOMCIVAGU-QPBGYOLISA-N 420.553 4.758 0 1 HJAF O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1 101027627 ZTUUNTGQZJTSDK-CHWSQXEVSA-N 402.368 4.527 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1 167071082 CVXVRZJHVRQGII-LAUBAEHRSA-N 402.494 4.876 0 1 HJAF COc1ccc(Oc2cccc([C@@H]3NC(=S)N=C4c5ccccc5C(=O)[C@H]43)c2)cc1 169726103 ZZEAHNXOTMHWFC-SFTDATJTSA-N 414.486 4.719 0 1 HJAF CO/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCC(C)(C)CN(C)C 206841967 QPEFHPVNVXEUSM-PFFZJBRISA-N 424.372 4.722 0 1 HJAF CC1=C(CCC2=CC[C@H](O)C3=CC(=O)O[C@@H]3O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 238775326 IOVKTBXSZVGHQM-FVZBVDOKSA-N 416.558 4.545 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 255263379 RTCXOPGJLHDJMS-ZBXZMNMRSA-N 414.678 4.672 0 1 HJAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1O 261167383 SENYAGZCRUTMSW-UHFFFAOYSA-N 406.885 4.692 0 1 HJAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586962994 WDGNATQKHIQBEV-JTQLQIEISA-N 420.523 4.771 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)OC)c2[nH]1 587035337 SGZMGTPYAKNYSO-INIZCTEOSA-N 407.495 4.835 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)c(Cl)cc12 587078438 QXTIBAVVHVSMEW-LLVKDONJSA-N 424.888 4.699 0 1 HJAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br 587127353 XMZVCZVIPDVYDI-AMIZOPFISA-N 414.229 4.805 0 1 HJAF O=c1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170504 AWKUDYOSHWFXDC-UHFFFAOYSA-N 407.207 4.860 0 1 HJAF Fc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2c(F)c1F 587184173 PGYZOAAQMQNERM-PLNGDYQASA-N 400.141 4.755 0 1 HJAF C/C(=C/[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587379311 XXBRGLLLJGNNMB-GYZHLTJYSA-N 424.497 4.708 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(F)c(C(=O)O)c4)c1)[C@@H](C2)C3=O 587424669 RPZFGJHDVYYOMC-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(CC(=O)O)c1)CC2=O 587478857 CAOBWSFVXHRBRB-AREMUKBSSA-N 416.473 4.881 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC 587549003 YPADMDCQIPENLN-NQIIRXRSSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(Cl)cc2c1=O 587550838 CCQZKKORQYGPEM-AUSIDOKSSA-N 420.804 4.855 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1N1CCCC1 587556260 JBRUARQIILGMEN-URXFXBBRSA-N 405.425 4.834 0 1 HJAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC 587611562 GJGPKNIFJONBRT-OFNKIYASSA-N 408.475 5.000 0 1 HJAF NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)CC1 587629138 VZCZZFBFAOHUGO-UHFFFAOYSA-N 406.288 4.983 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC 587694192 OXGHCJTYHPQUHO-XYZCENFISA-N 414.702 4.882 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC 587698106 YFRLAKBTTJLHAV-VVVCHXIZSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccccc2)N1 587762026 COPKMEWYFBLEAT-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587763101 HZEPFIDGOYOTLV-MPBGBICISA-N 400.295 4.706 0 1 HJAF CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794847 HKGXBXMNXZBSKP-QKKBWIMNSA-N 420.322 4.628 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798100 NUKLLNWRJWHUTL-XCLFUZPHSA-N 412.343 4.851 0 1 HJAF CCOC(=O)c1cc(C)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1C 587944653 FNWLMUQLPHOPPQ-UHFFFAOYSA-N 405.473 4.867 0 1 HJAF CC(C)(C[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1)NC(=O)OC(C)(C)C 962717518 UYLXSVSGTFNDRI-HNAYVOBHSA-N 408.583 4.924 0 1 HJAF Fc1ccc([C@H]2CC(c3ccc(OCC4=NCCO4)cc3)=NN2c2ccccc2)cc1 1772581361 LDSAELXLHKOXTA-XMMPIXPASA-N 415.468 4.989 0 1 HJAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)c3)C2)cc1 1772589347 IMQSQUOUMPLUQP-FOIQADDNSA-N 406.448 4.603 0 1 HJAF FC(F)(F)Oc1ccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)cc1 1857640983 MRKOLAWLXQTOPA-UHFFFAOYSA-N 401.344 4.866 0 1 HJAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4ccccn4)nn3)cc2)n1 1857745545 YAJYFXICQGFFPZ-UHFFFAOYSA-N 424.308 4.553 0 1 HJAF CC(C)(C)[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccccc1 61947015 RNTGZJJUCJAMFX-OALUTQOASA-N 419.930 4.511 0 3 HJAF Cc1ccc2c(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 13737554 NRYCOWHRWRKCJF-GHTZIAJQSA-N 423.538 4.714 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([C@@H]5NCCc6ccccc65)C[C@@]43C)[C@@H]1CC[C@@H]2O 40972595 KTGOKLQEHMLMDT-RCEYLDNFSA-N 423.641 4.864 0 1 HJAF COc1ccc(-c2cc(OC(C)=O)c(-c3ccc(OC)cc3)cc2OC(C)=O)cc1 71318120 CRAIUGBIQKVOPY-UHFFFAOYSA-N 406.434 4.888 0 1 HJAF COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ccccc3n2)cc1 72183082 YSKFLXMLRUDKHB-UHFFFAOYSA-N 400.482 4.871 0 1 HJAF CN[C@H](C)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 84709442 HWSKZOJGKXIVKG-CQSZACIVSA-N 408.445 4.691 0 1 HJAF COc1cc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc(OC)c1O 85861131 BJMZZPKIBSAQBA-AHIIRKPMSA-N 418.486 4.520 0 1 HJAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877653 UYOOYAFCDQKGEW-VEXUSMLFSA-N 420.459 4.622 0 1 HJAF CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1 100705266 MCAYBAQSXUOUOU-OAHLLOKOSA-N 421.522 4.891 0 1 HJAF CCCCc1ncc(/C(Cc2ccc(C(=O)O)cc2)=C(\Cc2cccs2)C(=O)O)[nH]1 144379637 IDZXLZCISXUMHU-VHEBQXMUSA-N 424.522 4.836 0 1 HJAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@H](C)O)c(C)c1Cl 146575928 XYBGFDIGGTXMCX-DYZYQPBXSA-N 402.813 4.628 0 1 HJAF CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226051634 ABBMJPROVMDPMT-ZJOUEHCJSA-N 402.494 4.706 0 1 HJAF COc1ccc(-c2c(CO)n(Cc3cccc(C(F)(F)F)c3)c3ncccc23)cn1 299819833 FYWZZKSUMRUDOI-UHFFFAOYSA-N 413.399 4.666 0 1 HJAF COc1cccc(-c2ccccc2CCN2CCc3cc(OC)c(OC)cc3C2)c1 299837961 PTJBFESVNARXKM-UHFFFAOYSA-N 403.522 4.980 0 1 HJAF CC(C)n1c(-c2nc3ncnc(Cl)c3[nH]2)cc(Br)c1Br 587005138 OWJGNWIQFXAIIE-UHFFFAOYSA-N 419.508 4.581 0 1 HJAF COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)nn1-c1ccccc1F 587157203 XYNJBSMEZHZZQG-UHFFFAOYSA-N 415.266 4.943 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357815 OTLBMMRMVIOUNI-VWNXMTODSA-N 406.409 4.924 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)O2 587396235 QXPXQJBKCWMDMT-CLOONOSVSA-N 422.525 4.706 0 1 HJAF CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407455 JLQMXVXUGOXIMF-AOUJKTHWSA-N 407.510 4.891 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)cc1Cl 587547419 SLMNLWOFCZXKIS-NFBKMPQASA-N 418.836 4.934 0 1 HJAF C[C@]1([C@@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584184 XALGVGFFDPQHLB-GVCORALISA-N 415.489 4.635 0 1 HJAF Cc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 587610625 QBFLOVIXQZJTBU-HYBUGGRVSA-N 400.386 4.510 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711589 LENBDLNGFKHPMW-VPTHRUTESA-N 404.201 4.936 0 1 HJAF COc1ccc2nccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587779916 WRKZLCOWTGFXBQ-PRWKNARSSA-N 401.279 4.769 0 1 HJAF CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cn1 587873523 CPBZFVGKUKQTTR-UHFFFAOYSA-N 416.338 4.476 0 1 HJAF COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC 587925800 HUEIPESJYYLNAD-JTQLQIEISA-N 415.362 4.975 0 1 HJAF COc1ccc(C[C@@H](C)c2nc3cccc(I)c3[nH]2)cc1OC 587927683 WFEKPFABMNVRRM-LLVKDONJSA-N 422.266 4.531 0 1 HJAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3nc4ccccc4n3C3CCCC3)cc2)S1 653705298 HFBNARMVGPKCOY-HXUWFJFHSA-N 421.522 4.625 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](C2(c3ccccc3)CCCC2)N1 962623311 BKBXJWZPATYXQJ-LPHOPBHVSA-N 405.416 4.737 0 1 HJAF CC(C)(C)c1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)cc1 962626592 CXUWZEOETHPZOS-WIYYLYMNSA-N 407.432 4.745 0 1 HJAF COC[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962637130 KJPLPAIHMOSMDC-AZGAKELHSA-N 418.968 4.977 0 1 HJAF CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962666866 MAFJMTPLGCCTNH-DEOSSOPVSA-N 411.423 4.723 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)C(=O)OCC)c1ccc(C)c(C)c1 963241667 NHTMOCBQSLDKSV-FNZWTVRRSA-N 407.554 4.726 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21CCCc2c[nH]cc21 963841204 JKYIFLOWNZXRJR-HOYKHHGWSA-N 410.514 4.540 0 1 HJAF Cc1cccc2c1[C@H](c1ccc3c(n1)CCC3)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963856231 VBZQENDHYAALBW-JPYJTQIMSA-N 422.525 4.605 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2cn3c(n2)CCC3)c1 1857655521 QOIRVBBMKNKETR-UHFFFAOYSA-N 400.309 4.662 0 1 HJAF CN(C)c1ccc(CCN[C@@H](C(=O)Nc2ccc(F)cc2F)c2ccccc2)cc1 1857762117 GMORGDPWULMNGO-HSZRJFAPSA-N 409.480 4.543 0 1 HJAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]12C 2356434578 WWVYCXGWNHHXOT-QIVFVBEQSA-N 408.579 4.667 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@H](O)C=C(C)[C@@]21C 2356574121 NVEWIEAUNOPBPT-PWTZERCWSA-N 416.558 4.507 0 1 HJAF COc1c(OCC=C(C)CCC=C(C)C)cc(O)c2c1[C@@H](OC(C)=O)[C@@H](C)OC2=O 2356580824 BFVQDTCEZTWFDK-VFNWGFHPSA-N 418.486 4.635 0 1 HJAF Cc1ccccc1-c1cnn(C(C)(C)C(=O)NCc2ccccc2Br)c1 205228238 MRBISFUKNYZSGA-UHFFFAOYSA-N 412.331 4.673 0 3 HJAF C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c2oc(=O)cc(-c3ccccc3)c2c1O 14586006 RAIZTULKRWIEBV-KDOFPFPSSA-N 422.477 4.580 0 1 HJAF biogenic CC(C)(C)c1ccc(NC(=O)N2CCN(c3nnc(Cl)c4ccccc34)CC2)cc1 28455729 DTAUOSMNTGJNJM-UHFFFAOYSA-N 423.948 4.935 0 1 HJAF COc1ccc(NC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 36189141 JUNSASVZVKBFQH-WZAVYVBLSA-N 422.569 4.547 0 1 HJAF C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)NCCCn1ccnc1 45201584 YQMXCTAECQYUPO-JOCHJYFZSA-N 407.558 4.732 0 1 HJAF O=C(NCC1CC1)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F 82217096 MRQJGMXUPSBYNI-UHFFFAOYSA-N 410.880 4.688 0 1 HJAF C[C@@H](O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1 96168527 PWGOFEJFKNIFDS-DKSSEZFCSA-N 406.404 4.746 0 1 HJAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccc(C)cc3)cc2)cc1 100093512 GLKFTWZJIMVERR-LNWKWYTESA-N 413.521 4.642 0 1 HJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 100703454 AVUJCJCBYWHRCI-KRWDZBQOSA-N 410.543 4.964 0 1 HJAF CSC[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl 103213864 AXYCAAREUWCJBG-SFHVURJKSA-N 410.326 4.628 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3c(C)cccc23)C(F)(F)F)c(C)c1 103253862 HMYGXGUMESBWOB-SFHVURJKSA-N 424.488 4.853 0 1 HJAF C[C@]12CC[C@@H]3c4ccc(F)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 103254078 WUBPHZTZYCTIHE-RYZVYYIHSA-N 407.529 4.610 0 1 HJAF COc1cccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCCC3)c1 103300930 WZRGRYDCASQCNV-UHFFFAOYSA-N 412.433 4.779 0 1 HJAF Cn1ccc2cc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)ccc21 103303424 PIGKBNOMLGKKHV-UHFFFAOYSA-N 407.380 4.677 0 1 HJAF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)cs1 141680810 RUDNGJLEKHUVRY-OAHLLOKOSA-N 415.522 4.594 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3occ(C)c3c2)n1 141868102 ZSYZZFOGUDVGEH-HNNXBMFYSA-N 411.469 4.655 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C 169323888 CJNYDPBXKCGRGK-UBNCYYSCSA-N 402.623 4.580 0 1 HJAF O=C(c1ccccc1)N1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1 205190387 OBJBYVXRRXONFJ-UHFFFAOYSA-N 411.480 4.936 0 1 HJAF CCCCCC1=C(C(=O)OCc2ccc(OC)cc2)[C@@H](c2ccccc2)NC(=O)N1 205384183 QOIWXCNFPYPDKM-JOCHJYFZSA-N 408.498 4.627 0 1 HJAF COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccc(C)cc2)c1 219496368 RQIVQXFEBIUJQL-UHFFFAOYSA-N 404.382 4.637 0 1 HJAF COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC/C(C)=C/CO)[C@H]1CCC=C2C 238754121 IDWQXZUVIQTROK-VGOBTMGHSA-N 420.590 4.981 0 1 HJAF C[C@@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@H]1c1ccc(O)cc1 238784755 GGPZVBXSSCKWFL-OYLFLEFRSA-N 404.462 4.931 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299876002 DXANDXDXHKOUAG-CWJKEVGVSA-N 424.944 4.913 0 1 HJAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)c3ccccn3)c3ccccc23)c(O)n1 474609504 QMLDYJBLIQAXSS-QGZVFWFLSA-N 414.509 4.601 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(C)c(C)cc3[nH]1)C(=O)OC2 586916390 YFJVYSSSEPAONC-AWNIVKPZSA-N 420.509 4.994 0 1 HJAF Cc1ccc(-c2nc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(C)s2)cc1 587012937 OTLAVVNNOGXYRD-UHFFFAOYSA-N 403.555 4.722 0 1 HJAF CCCc1nc(-c2nc3c(F)cc(Br)cc3[nH]2)nn1-c1ccccc1F 587155178 AYLBTAROHFZEGP-UHFFFAOYSA-N 418.245 4.804 0 1 HJAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587194328 PZCSXQYTUOYWGY-CYBMUJFWSA-N 418.485 4.692 0 1 HJAF CCCCOc1cc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2cc1Br 587240752 VXPWXRBTEWFHGU-UHFFFAOYSA-N 417.307 4.970 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(F)c(C(=O)O)c3)c1)O2 587380752 CNEWOHQMFRANRB-XMMPIXPASA-N 405.425 4.962 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(F)c4)c(OC)c1)[C@@H](C2)C3=O 587429130 SUWBCXMAGFEGLK-DFBJGRDBSA-N 420.436 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4C)nc4ncccn14)[C@@H](C2)C3=O 587436451 RIIMODGQUMKFON-MHECFPHRSA-N 411.461 4.510 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccnc2O)c1 587584800 APHWPCLISYYTCD-URXFXBBRSA-N 411.413 4.863 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587707731 WUOQJQAGYJYTBM-VVVCHXIZSA-N 408.702 4.821 0 1 HJAF Cc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587718599 OCELHNJWZYEENC-ABKXIKBNSA-N 401.226 4.517 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cccc(F)c2)N1 587732007 MMEVSBKYZCRTDW-DGIBIBHMSA-N 404.258 4.741 0 1 HJAF Cc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587744705 SNMIQKFLXMOCRJ-RNODOKPDSA-N 405.311 4.675 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cc(F)cc(F)c1)c1ccc(C)cn1 963609418 NGYDLDROPRCAEZ-OWJWWREXSA-N 410.464 4.512 0 1 HJAF Cc1nc2n(c(=O)c1CCN1CCC(c3cccc4sccc34)CC1)CCCC2 1772583733 GNDSQXWHXQCRHF-UHFFFAOYSA-N 407.583 4.525 0 1 HJAF CC1(C)C[C@@H](NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)c2ccc(F)cc2O1 1772628686 NYGSCGZLRDWSCH-OAHLLOKOSA-N 419.399 4.597 0 1 HJAF COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 1857584894 CHITYTDFLSGAKD-INIZCTEOSA-N 402.907 4.692 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 2356310930 VYZPGMGWYUEREY-ZMZZXTLBSA-N 418.574 4.708 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356856964 SFAOZGQLBGGDOT-WHCHZQNPSA-N 408.582 4.807 0 1 HJAF O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 772739 NSAQUJHZHXGVSX-TZIWHRDSSA-N 412.848 4.523 0 1 HJAF CCc1c(C)[nH]c2c1C(=O)C[C@@H](CN1CCC(c3noc4cc(F)ccc34)CC1)C2 3951735 WIEKNCZMEBFLFB-HNNXBMFYSA-N 409.505 4.791 0 1 HJAF COC(=O)[C@@H](NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1 13762349 UKPBWQXEZQZWKN-QHCPKHFHSA-N 402.494 4.927 0 1 HJAF COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CC[C@@H](C)CCO 14928407 VPMNGIVCZXQPSU-FJDVUQLPSA-N 408.579 4.670 0 1 HJAF biogenic O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25411561 NLKUXCYYDSEISF-DVECYGJZSA-N 420.512 4.928 0 1 HJAF biogenic CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(c1)[C@H](C(=O)O)c1ccccc1-2 26490918 UBGNLYRPBRRHSE-OAQYLSRUSA-N 408.885 4.937 0 1 HJAF CC(C)CCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189702 WAICHBXZTLQXKX-MEYLZYJUSA-N 402.623 4.723 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@@H](C(C)C)CC[C@](C)(O)[C@@H]1O2 59774109 OQZVJZANQOAJDB-DHGXCEOKSA-N 424.537 4.878 0 1 HJAF CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3cc(Br)ccc23)cc1 72109292 OLFHWLBNRYMRHP-UHFFFAOYSA-N 422.286 4.595 0 1 HJAF CC[C@@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82160036 QWIKFFRYJDASLQ-GOSISDBHSA-N 418.541 4.787 0 1 HJAF CCCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(-c2nnn[nH]2)c1 84655290 FMGHQGPKEYNZBW-UHFFFAOYSA-N 421.398 4.748 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95877455 ZTJKFGGOMWESKA-FGCOXFRFSA-N 420.459 4.622 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(O)c4)nn32)cc1 103541885 UZMPQXQFZNVNPR-OAQYLSRUSA-N 416.481 4.967 0 1 HJAF CC(=O)Nc1cccc(-c2cccc([C@H](C)Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 169169774 ZFVBEFRCHYYEND-MRXNPFEDSA-N 401.510 4.620 0 1 HJAF FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccccc4)CC3)ncnc2s1 220560871 ZFMZWYQYVCPKDJ-UHFFFAOYSA-N 406.477 4.873 0 1 HJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587040129 KLFJMVGXDDEOIX-SFHVURJKSA-N 409.511 4.776 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587258518 MFVRJSYMXACXPI-ZDUSSCGKSA-N 416.378 4.691 0 1 HJAF C[C@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329030 BXDQHJUABSXGBO-GHTZIAJQSA-N 401.796 4.993 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(COc3ccc(Cl)cc3C2)[C@H]1c1ccc(F)cc1 587330645 OPAWYPJPYMSJRE-GMAHTHKFSA-N 410.828 4.918 0 1 HJAF COC(=O)/C(=C\N(C)C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587360287 NWBDELHONPJFOS-RGEXLXHISA-N 402.450 4.732 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)O2 587383598 ZFFSOGUIPJZFJS-IBGZPJMESA-N 401.388 4.547 0 1 HJAF CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1 587403009 BSJBPIHHBYQYCT-KNOQFWTLSA-N 405.494 4.885 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423747 UWYCISZSYSYEOS-PGRDOPGGSA-N 411.379 4.800 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)O)o3)cc1)CC2=O 587479500 IIOJPTQBBHLOLD-JOCHJYFZSA-N 422.433 4.921 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)ccc12 587544918 LJKCWTMLBCNUHN-KNQAVFIVSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1F 587557310 MNMZJIBGRVXMDY-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593163 COWABNZOIYENDJ-URXFXBBRSA-N 406.434 4.893 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1 587706970 TZKQHHDPGQIFOG-XLFHBGCDSA-N 408.702 4.752 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3F)nc2)N1 587728392 SAUBHJFQTVTFOX-NSPYISDASA-N 416.269 4.808 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(N)cccc12 587746637 NEELUSAOOKHFHU-YTEVENLXSA-N 409.302 4.977 0 1 HJAF CCCCC[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755249 HGBFUXSSJPGVON-RBZFPXEDSA-N 408.359 4.988 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 587832536 ZCXCIIZYHQGCNP-LAJNKCICSA-N 420.322 4.748 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(C)nc2sccn12 587867416 YSSPZONHNLJZQX-UHFFFAOYSA-N 420.416 4.674 0 1 HJAF CCNS(=O)(=O)c1ccc(NC2CCCCCCC2)c(NCc2ccncc2)c1 653717821 DSQXIJJJQGMDDG-UHFFFAOYSA-N 416.591 4.517 0 1 HJAF COc1ccc2c(c1)[C@@](c1cccc(F)c1)([C@H]1CC[C@@H](C(=O)O)C1)N(C(C)C)CC2 962085965 BDGWRUUHCARQOM-KNOQFWTLSA-N 411.517 4.845 0 1 HJAF COc1ccccc1N1CCN(C(=O)N2c3ccccc3Oc3ccccc32)CC1 1772611712 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COCCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 195503214 AGCUNNGZFILFIJ-MLMVQYQQSA-N 422.569 4.833 0 1 HJAF Brc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1cc(C2CC2)[nH]n1 203003196 RRLNEOFGNOLMTQ-UHFFFAOYSA-N 410.279 4.808 0 1 HJAF COC(=O)c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 586900273 BCKJHSRXUYNPQA-VQIMIIECSA-N 417.440 4.801 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2 587030281 CHZMEQILWAPOMN-LLIKBPFYSA-N 423.926 4.877 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3ccc(C)c(C)c3[nH]2)[C@H]1c1ccccc1Cl 587063250 RAZNYEQINGVNSS-HTAPYJJXSA-N 411.933 4.927 0 1 HJAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1S(=O)(=O)CC4)-c1ccccc1C2=O 587101185 CVFVHVYRRJFJKT-UHFFFAOYSA-N 411.482 4.751 0 1 HJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NC1C2CC3CC(C2)CC1C3 587103262 DRACWEWMIGNSHR-UHFFFAOYSA-N 422.528 4.930 0 1 HJAF CN(C)CCOc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151279 WTRDXEQXHAMNQY-HSZRJFAPSA-N 404.489 4.844 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)C1CCCC1 587226836 USSXJQPTGRUYHY-LLVKDONJSA-N 413.291 4.616 0 1 HJAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587350940 LWXDFNQYOJRWDE-VWNXMTODSA-N 408.425 4.823 0 1 HJAF CC(C)CCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353630 ZQUDOYLKIRMYRS-FYYLOGMGSA-N 400.446 4.628 0 1 HJAF CC(C)CCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353639 ZQUDOYLKIRMYRS-GMAHTHKFSA-N 400.446 4.628 0 1 HJAF COc1cccc(-c2cc([C@@H]3CN(C)CC[C@@]3(C)O)nc3c2oc2ccccc23)c1 587362966 KJYDYTNRTXCAQP-NBGIEHNGSA-N 402.494 4.827 0 1 HJAF COC(=O)c1cccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587400949 UNMODJIHEHGZJE-RUZDIDTESA-N 401.462 4.911 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1O 587539159 IABVRKMMTJXSNZ-UZLBHIALSA-N 413.223 4.563 0 1 HJAF COc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2c1 587616355 CCAORQJJLIMENU-NQIIRXRSSA-N 405.431 4.713 0 1 HJAF COCC[C@@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728780 FQCFTGYONOKZSZ-RBZFPXEDSA-N 410.302 4.736 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3ccccc3)CC2)N1 587821101 GQZSWZFMENUIDM-OZJRSANCSA-N 404.323 4.780 0 1 HJAF CCCCSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587848756 XSQMRJVEKOKOPF-APPDUMDISA-N 410.356 4.894 0 1 HJAF O=C(c1ccc(C2CC2)cc1)N1CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 1857561219 WRXMGSWBBRFBIY-SANMLTNESA-N 424.544 4.660 0 1 HJAF CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2CNn2cnnc2)cc1 1857596929 PFWDYBKULZAMIR-MRXNPFEDSA-N 400.910 4.647 0 1 HJAF CC(=O)NCc1nc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)no1 1857619846 SWVOSTOEDFGUSJ-UHFFFAOYSA-N 415.449 4.744 0 1 HJAF C[C@@H]1CC[C@]2(C[C@@H]3[C@H](O2)[C@H](O)[C@H]2[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)OC1 2356572115 PJBFBXXRUPKPJC-LLPCEAHFSA-N 418.618 4.519 0 1 HJAF COC(=O)C=C(OC)[C@H](C)[C@@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)OC 2356669729 LRTJMINIVSPVMX-CZUORRHYSA-N 422.572 4.758 0 1 HJAF O[C@H](CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccccc12 13491125 QIIWIJVYPXMMIG-JOCHJYFZSA-N 403.551 4.695 0 1 HJAF Cc1ccc(O)c(Cn2c(NC3CCN(CCC(C)C)CC3)nc3c(C)cccc32)n1 28710370 JMUKTIHTIAICEZ-UHFFFAOYSA-N 421.589 4.724 0 1 HJAF CO[C@H]1CCCC[C@@H]1NC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C 40422355 YAJRUXCIRFBKPJ-VXKWHMMOSA-N 406.530 4.516 0 1 HJAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCCC3)n2)cc1 43059865 CXMNVVPEMHYESO-UHFFFAOYSA-N 414.449 4.525 0 1 HJAF Clc1ccc(CCNCCCCCCNCCc2ccc3c(c2)OCO3)cc1 45190887 YUZSHHKRIFPSCC-UHFFFAOYSA-N 402.966 4.594 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)cc1 82179957 YILPVHXJKYXMHW-SFHVURJKSA-N 419.554 4.779 0 1 HJAF CC(C)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCN1CCCCC1 82181340 LMIOFHYYSNHILF-UHFFFAOYSA-N 412.969 4.701 0 1 HJAF COc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1 95598091 SPPQMIVIYSUBNJ-UHFFFAOYSA-N 422.868 4.908 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 100350679 RYMZZMVNJRMUDD-BCKCNRFGSA-N 418.574 4.586 0 1 HJAF CC1(C)CC2=Nc3cc4c(cc3[C@H](c3ccc(OCC(=O)O)cc3)C2=C(O)C1)OCO4 103667228 MUVXZEHSRPRFQI-QFIPXVFZSA-N 421.449 4.729 0 1 HJAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104004044 SOJWIVBCSSNOOX-QFIPXVFZSA-N 417.465 4.566 0 1 HJAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cccs1 109643872 WDFUHXWAFLOMHJ-WOJBJXKFSA-N 423.921 4.596 0 1 HJAF CCc1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1 114340060 IKTOOZHJDFEYBL-NHCUHLMSSA-N 410.533 4.816 0 1 HJAF Cc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116911595 OFVJHTJJYQHJIB-OAQYLSRUSA-N 416.399 4.502 0 1 HJAF O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 504781870 FOMDFGUQTIWHEP-KDKLDIIGSA-N 410.396 4.528 0 1 HJAF biogenic OCCc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000822 RPQJBVFLCVWUCV-UHFFFAOYSA-N 423.314 4.534 0 1 HJAF C[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587155657 JPMLNLWVAWPQGZ-QGZVFWFLSA-N 408.658 4.909 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587333342 CPVYZMIBMXQXHI-ZCYQVOJMSA-N 419.452 4.607 0 1 HJAF COc1cccc(-c2nc3ccccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587436979 WTJLHIANJHNDQX-IQGLISFBSA-N 412.445 4.507 0 1 HJAF CC(C)COc1cccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587566171 YXVSFEFUFZKDPI-UHFFFAOYSA-N 410.699 4.988 0 1 HJAF Cc1ccc(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1C 587661432 ODGPYITYOVRPGD-UHFFFAOYSA-N 423.451 4.661 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2c(Cl)ncnc2Cl)N1 587705675 NUKIAJRKWVVSIA-CPCISQLKSA-N 405.098 4.503 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)(c3ccccc3)CC2)N1 587824543 CELJOUOSINQMON-IYJORBIASA-N 418.350 4.822 0 1 HJAF COc1cc(C2(c3nc4ccc(I)cc4[nH]3)CC2)ccc1C 587928060 XTBIRXKNGBAQHD-UHFFFAOYSA-N 404.251 4.564 0 1 HJAF COCc1cc([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)ccc1OC 961611001 CMRUAKQWHQGGPY-FQEVSTJZSA-N 402.332 4.546 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](c3ccccc3)(c3ccsc3)N12 962628691 CTAVMGCBLLRLBQ-RPBOFIJWSA-N 414.530 4.687 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@](c2cccnc2)(c2c[nH]c3ccccc23)N1)C(F)(F)F 962728677 FKPXQFWAQMXORT-GMAHTHKFSA-N 421.422 4.501 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)(C)C(=O)O)(c2ccc(OC)c(F)c2)N1 962950575 RUHXUGSUROUCED-PUAOIOHZSA-N 424.516 4.984 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c(Cl)ccc(F)c2Cl)N1 962977364 OWLQEIZQSUFZME-ZUZCIYMTSA-N 410.606 4.752 0 1 HJAF COc1cccc(C2=C[C@@]3(NCCc4c3sc(C)c4C)c3ccccc3O2)c1N 963024492 NOJHPMJNBBLXIY-XMMPIXPASA-N 404.535 4.779 0 1 HJAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 1772574571 YQAHEMJLXLEJPE-HKJUGDSBSA-N 412.913 4.726 0 1 HJAF Cc1ccccc1[C@H]1SCC(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1 1857612619 MITPBGISQDFYGK-MRXNPFEDSA-N 418.931 4.569 0 1 HJAF C[C@H]1CC[C@@H]([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 1857623725 IRRHFODGOMSPEE-VZGKAELFSA-N 415.662 4.921 0 1 HJAF CC(C)c1ccc(CN(Cc2cccc(F)c2)c2cccc(S(N)(=O)=O)c2)cc1 1857631140 ZEQSEBHUGXGBGW-UHFFFAOYSA-N 412.530 4.803 0 1 HJAF CSc1nc2ccccc2n1-c1csc(=NCC(=O)c2ccc(Cl)cc2)[nH]1 1911578077 ZUBVNAVETYHORI-UHFFFAOYSA-N 414.943 4.574 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CCC(C)=CCO)C(C)=CC[C@@H]2C1(C)C 2356503879 XDZFMGQNHRGIKY-ANOZEODCSA-N 404.591 4.963 0 1 HJAF CC1(C)C=Cc2cc([C@H]3COc4cc5c(c(O)c4C3=O)C=CC(C)(C)O5)c(O)cc2O1 2356804477 VOBQAOCWJCLPCM-MRXNPFEDSA-N 420.461 4.825 0 1 HJAF C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356832173 HZPYZHNFVJNOCS-BJPXUQNZSA-N 401.635 4.675 0 1 HJAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCC2)c(OC)c1 776969 GZKQVSKYIJGANY-UHFFFAOYSA-N 410.445 4.837 0 1 HJAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2OC)c(OC)c1 777241 LTHPNVXCHRNGEH-UHFFFAOYSA-N 424.497 4.595 0 1 HJAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccsc12 1658501 HBNCHGPKFBUAGH-UHFFFAOYSA-N 417.531 4.662 0 1 HJAF O[C@@H](CNCCC(c1ccccc1)c1ccccc1)COc1cccc2ncccc12 13652250 FBHBUWSWWUZJCZ-QHCPKHFHSA-N 412.533 4.786 0 1 HJAF Fc1ccc([C@H]2OC(=S)O[C@]2(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 26004944 ZUPCMHBLKUSDDE-SJLPKXTDSA-N 424.284 4.693 0 1 HJAF Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F 34802059 ZLZFWACGUPOOEK-NRFANRHFSA-N 422.422 4.505 0 1 HJAF Cc1ccc2c(COc3cccc(I)c3)cc(=O)oc2c1C 103264199 ADUYVANNVINNRZ-UHFFFAOYSA-N 406.219 4.593 0 1 HJAF c1ccc(C[C@@H]2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)cc1 140192075 ZDOXLOYCWSESFI-NRFANRHFSA-N 421.548 4.698 0 1 HJAF O=C(O)c1cc2ccc(N(Cc3ccc(F)cc3)Cc3ccc(F)cc3)cc2oc1=O 205343498 QIMUJZXUWHPQCH-UHFFFAOYSA-N 421.399 4.976 0 1 HJAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc4ccccc4c1)[C@@H]23 299839372 YDPWUVDJKYJNKF-BGBNXGLDSA-N 420.597 4.858 0 1 HJAF Cc1nn(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1Br 586979039 ONGTUYFVALDFBP-UHFFFAOYSA-N 418.520 4.603 0 1 HJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)c21 587033410 UUQIJIAUFSPRRD-GFCCVEGCSA-N 404.495 4.853 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1 587106234 MBHXBYLLJKKQBJ-LIRRHRJNSA-N 412.489 4.953 0 1 HJAF Cc1c(Br)cnc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12 587132934 LCRVONPGQRBTAT-UHFFFAOYSA-N 403.038 4.706 0 1 HJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587148267 AIHJRLUCVHKMFW-XMMPIXPASA-N 416.500 4.736 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccc1N)O2 587374404 XNPJONIQWMHFCU-QFIPXVFZSA-N 423.310 4.831 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCc1ccccc1 587399958 OBJVHUDUCOZNOG-OAQYLSRUSA-N 419.477 4.880 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4cc(C)ccc4C)c1Cl)[C@@H](C2)C3=O 587422340 PFQMLCZUYHSKQA-KSFYIVLOSA-N 408.885 4.948 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc3c(c1)CCCC3)CC2=O 587476712 AJIAZDPVWXZKKX-RUZDIDTESA-N 408.494 4.647 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cccc(OCOC)c1)CC2=O 587491503 UDHVHDHUEIZDPF-RUZDIDTESA-N 419.477 4.631 0 1 HJAF O=C1C[C@H](c2cccc(I)c2O)Oc2c1ccc1c2CCCC1 587507841 SVPYCDHCKRKRBQ-QGZVFWFLSA-N 420.246 4.582 0 1 HJAF O=C(O)CCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569350 HRIYRAOKPYYHLS-URXFXBBRSA-N 422.408 4.643 0 1 HJAF CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c(C(=O)O)cccc12 587638240 UJUKWXKNAKNJSL-UHFFFAOYSA-N 424.211 4.725 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1 587710377 RZBRZLSYSGAOBD-RBIVETJNSA-N 408.233 4.639 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ccc(F)cc2)N1 587736650 WQVQYFIUHQBZDQ-JEOXALJRSA-N 404.258 4.537 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C(F)(F)F)s1 587864041 BKQBYCNZRQINOC-UHFFFAOYSA-N 408.327 4.827 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCc3sc(Cl)cc32)N1 962986479 CDSFTXBHVXAIJL-GTNSWQLSSA-N 404.265 4.512 0 1 HJAF Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(NC(=O)c4ccccc4)cc3)ccc12 1772569937 WHPDHSSZWNYIAA-UHFFFAOYSA-N 412.445 4.535 0 1 HJAF CC(C)=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)c2c(c1O)O[C@H](C(C)(C)O)C2 1772641262 JDJGICRECGXAJF-UNMCSNQZSA-N 410.510 4.747 0 1 HJAF O=C(N[C@H](CCN1CCCC1)c1cccc(F)c1)c1ccc(-c2ccnc(F)c2)cc1 1857581373 WZRDOVBMIMWKMY-HSZRJFAPSA-N 421.491 4.984 0 1 HJAF CC1=C(CCC(=CC=CC2=CC(=O)O[C@@H]2O)CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 2356521059 IECRVGMSVPJFRV-NMVJMZGASA-N 400.559 4.986 0 1 HJAF COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 772530 KMLVBNVNSGPFLQ-GGAORHGYSA-N 420.896 4.757 0 1 HJAF CCn1nc(C)c2c(-c3ccccc3)cc(=O)n([C@H](C)C(=O)Nc3cccc(F)c3)c21 8605268 MMRFLWDZOKVRIQ-MRXNPFEDSA-N 418.472 4.532 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(OC(C)=O)C(C)=O)C1 15114523 TYLAMIKBOCFWSP-NEIRPFHNSA-N 418.574 4.852 0 1 HJAF biogenic CCCCCCOC[C@H](CO[P@](=O)(O)OC)SC(=O)CCc1ccccc1 27412400 HXLJXKBQWCTKRG-GOSISDBHSA-N 418.492 4.608 0 1 HJAF O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ncnc3[nH]ccc23)cc1 35297439 NKDPDQIKOPDRTB-UHFFFAOYSA-N 412.371 4.950 0 1 HJAF CCN(CC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 82067096 BOPQPQWGBVHTLG-QGZVFWFLSA-N 407.518 4.734 0 1 HJAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1 82068951 LQBOPUSWLAQWOS-OAQYLSRUSA-N 422.525 4.634 0 1 HJAF CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NC3CCCCCC3)ncnc21 82190617 ARERBMIRVVIJMK-FQEVSTJZSA-N 419.577 4.507 0 1 HJAF CC(C)c1cc(Oc2c(Cl)cc(Nc3c(O)c(=O)c3=O)cc2Cl)ccc1O 101180086 IBUYZQRVGDCNMM-UHFFFAOYSA-N 408.237 4.660 0 1 HJAF O=C(O)CCCCC(=O)N1CCc2c(n(CCC3CCCCC3)c3ncccc23)C1 112993057 NHJRIMFHPIYRDM-UHFFFAOYSA-N 411.546 4.536 0 1 HJAF NC(=O)/C=C\c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113656887 RXXZXZOLEIMPSZ-GHXNOFRVSA-N 408.505 4.505 0 1 HJAF Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)NC(C)C)cn1 143155038 DEXTWPFTCGLWCH-UHFFFAOYSA-N 419.403 4.781 0 1 HJAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)oc2c1 168595963 MUQFYDGAOIVMMO-MRXNPFEDSA-N 411.461 4.934 0 1 HJAF COc1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cc1Cl 219743250 RDAZZHZFRAMBDO-JOCHJYFZSA-N 423.940 4.814 0 1 HJAF COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 473135375 OMPCUOMTQJRQEV-YADHBBJMSA-N 420.896 4.691 0 1 HJAF CCOC(=O)[C@@H](F)[C@H]1CCc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C1 586994848 FMJGLZIPBQHZAM-FPTDNZKUSA-N 403.453 4.761 0 1 HJAF Nc1ccc(F)c(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587140935 JWPXIWCVLOEHFN-UHFFFAOYSA-N 404.161 4.536 0 1 HJAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C[C@@H]1CCCO1 587196699 VNGSFHIQOXEPMT-LBPRGKRZSA-N 400.306 4.786 0 1 HJAF CCCCCOc1cc2[nH]c(-c3c(N)cncc3OC)nc2cc1Br 587252906 SHECIKZZNHVRCG-UHFFFAOYSA-N 405.296 4.547 0 1 HJAF COC(=O)c1cccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587401834 YSXXWNHRDKEUFL-VWLOTQADSA-N 401.462 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587419328 FVJQFKJGGQPPLY-APPDUMDISA-N 413.189 4.965 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587424307 YSUYNFBLGCVALH-SCLBCKFNSA-N 416.861 4.579 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4nc5ccccc5[nH]4)o1)[C@@H](C2)C3=O 587454123 WDMIZSIFULCRNC-YEJXKQKISA-N 404.447 4.804 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2cc(F)ccc21 587473283 ZLGJURGVUKMSMU-FQEVSTJZSA-N 419.246 4.973 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@](F)([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508134 SEFRUMFSECDXSK-DHIUTWEWSA-N 403.494 4.638 0 1 HJAF C[C@@]1(c2cnc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551529 GNFWCBUHTXVMQO-JXFKEZNVSA-N 402.233 4.971 0 1 HJAF Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 587575751 DAJUJDDTGDOUOW-JYFHCDHNSA-N 423.424 4.986 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccnc(Cl)c23)N1 587702434 DFWQPQATYDBOLX-XLFHBGCDSA-N 408.702 4.752 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cccs2)N1 587720865 OHOMZQZKLRTZAD-XLFHBGCDSA-N 418.278 4.652 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1 587741472 HPBQSIZWSSWNGY-APPDUMDISA-N 420.326 4.591 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587758224 CJZJQLVMHQGUJN-SSKCKEOISA-N 413.331 4.563 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C)c2-c2ccccc2)N1 587766868 XRELPBYYJCYVHG-CWTRNNRKSA-N 400.295 4.612 0 1 HJAF CCOC(=O)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795800 JKMMEYYASYZUIM-QKKBWIMNSA-N 420.322 4.514 0 1 HJAF CC[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805597 GKWRRLWZNJGSMT-FKIZINRSSA-N 408.311 4.793 0 1 HJAF C/C(=C\[C@]1(c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587851120 AIQLXHLMRZVEEY-GLEYLAJFSA-N 409.368 4.893 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)OCO2 587859194 SJZZVNNGEOUQKG-UHFFFAOYSA-N 405.237 4.673 0 1 HJAF CCCN(CCC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(CC)cc(CC)nc12 653859634 BLLWYDPLTKUBGO-UHFFFAOYSA-N 422.573 4.721 0 1 HJAF Cc1cc([C@@]2(c3c(F)c(F)c(F)c(F)c3F)NCCc3cc(C)c(F)cc32)ccn1 962092928 OAPZTPOYDLROQT-JOCHJYFZSA-N 422.372 4.971 0 1 HJAF CCCCO[C@@H]1C[C@]2(N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)C1(C)C 963170426 AKEYDTWQDRQXRU-IQUTYRLHSA-N 419.871 4.768 0 1 HJAF COc1cccc([C@]2(c3c(Cl)cccc3Cl)NCCc3ccc(O)cc32)n1 963340057 FPJYJFCYELLNDM-OAQYLSRUSA-N 401.293 4.540 0 1 HJAF O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 1772611138 FFCBKGGHZARAIH-IYARVYRRSA-N 414.477 4.581 0 1 HJAF COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2cn(C)c3ccccc23)cn1 1857768845 SLTMAQJVXBGOLJ-QHCPKHFHSA-N 410.477 4.573 0 1 HJAF O=C(Nc1cccnc1SC[C@H]1CCCN2CCCC[C@H]12)c1ccc(Cl)nc1 2356531482 ZYPPKRBFIBQRCF-SJLPKXTDSA-N 416.978 4.739 0 1 HJAF O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(Br)cc3)cc2F)CCC1 13534065 GIIDFVVSUHVPKN-UHFFFAOYSA-N 404.235 4.759 0 1 HJAF O[C@@H]1C[C@@H]2[C@H](CCCN2Cc2ccc(F)cc2)C[C@H]1N1CCC(c2ccccc2)CC1 13799380 JUAAHSIYMJKMDG-MIRJVGOZSA-N 422.588 4.809 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3OC(C)=O 14919142 UVGXEFBQPYOCKP-VFGMZZLHSA-N 412.482 4.951 0 1 HJAF biogenic COc1cccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c1OC 19321913 UGEUDCCVECRBFX-QFZRFWILSA-N 403.526 4.651 0 1 HJAF C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@H]21 25187852 ZNSKOGGQUHKREZ-CGMNEYBOSA-N 402.560 4.525 0 1 HJAF Cc1oc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1C1CCCCC1 26580078 DOWHGVYZNRJNBH-GOSISDBHSA-N 414.527 4.546 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801327 XQSKEOBPPYRPOT-ABJSHLNNSA-N 414.634 4.887 0 1 HJAF COc1ccc(CC(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)cc1OC 35312823 ZYXRYMSAYRVNRM-UHFFFAOYSA-N 410.495 4.507 0 1 HJAF COc1cccc2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)CC1CC1)CO2 36248229 BKJSIAOCAXHNFA-HXUWFJFHSA-N 408.517 4.964 0 1 HJAF CC(=O)OCC/C(=C\C[C@]1(O)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C)COC(C)=O 36378808 HZUXQKOBUGELTE-OQHVRNKGSA-N 408.579 4.813 0 1 HJAF O=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40919135 RUPCCWFCAYKMFK-UHFFFAOYSA-N 423.538 4.548 0 1 HJAF Cc1c(CN2CCN(C(=O)Nc3cccnc3)CC2)sc2ccc(Cl)cc12 43059446 DVBJWXQQQUMOAT-UHFFFAOYSA-N 400.935 4.608 0 1 HJAF CCOc1ccccc1CNc1nccc(NCCc2cn(C)c3ccccc23)n1 45321101 VYKYYLQZHCMQRZ-UHFFFAOYSA-N 401.514 4.634 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)[C@@H](O)C4 49088270 HAOOQCMPFMLAJM-OEOAZWSVSA-N 408.494 4.585 0 1 HJAF in-vivo C[C@H]1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C[C@@H](C)N1 58592893 SEBBJZUTFAVAIT-HDICACEKSA-N 416.573 4.623 0 1 HJAF CCCCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(CC)CC)cc1 64540721 LHSWZGXDIPQNGE-UHFFFAOYSA-N 408.546 4.603 0 1 HJAF O=C(c1cn(-c2ccccc2)nc1-c1ccsc1)N1CCN(c2ccccc2)CC1 98083356 LGHIDDBQJIXRIK-UHFFFAOYSA-N 414.534 4.563 0 1 HJAF CCCCC[C@@H](O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 115825856 NAQHJYUFGGYLEP-IFMALSPDSA-N 411.498 4.573 0 1 HJAF c1ccc(CCNCc2cncc3nc(-c4cnccn4)n(C4CCCCC4)c23)cc1 230563335 DXKUUWXMITWHFD-UHFFFAOYSA-N 412.541 4.726 0 1 HJAF COc1ccc(NC(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)cc1 299871927 ZMLJLBBXKZCMJP-UHFFFAOYSA-N 412.453 4.783 0 1 HJAF CC(C)(C)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2n1 586922309 SSLWIZSQBGXTFN-UHFFFAOYSA-N 405.523 4.896 0 1 HJAF Clc1cnc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586997856 DGOXAGKOYDVURX-OWOJBTEDSA-N 413.058 4.926 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)c(F)cc3[nH]2)c1 587049156 PLPHZXVLUOLLCY-UHFFFAOYSA-N 420.847 4.804 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587122086 PWIBHNDPPOHTSD-UHFFFAOYSA-N 412.371 4.870 0 1 HJAF Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F 587332888 TVHVUSIHHDKJDR-QUCCMNQESA-N 420.362 4.558 0 1 HJAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343768 DJNYKQGKPBQYDR-YKSBVNFPSA-N 423.440 4.703 0 1 HJAF CCCCOC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343966 ARNGSWOVXFPJLV-JTHBVZDNSA-N 400.446 4.772 0 1 HJAF Cc1ccc(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350022 HDZGGZNCMKNIQE-XUZZJYLKSA-N 406.409 4.812 0 1 HJAF COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587392197 RQPXWJRMSJZPIC-NRFANRHFSA-N 405.498 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(Br)c1)[C@@H](C2)C3=O 587416887 HMNLPBSARFROIF-HRAATJIYSA-N 410.267 4.737 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(=O)Oc1ccccc1)[C@@H](C2)C3=O 587433239 PBQLWIWZMQGRCI-DFBJGRDBSA-N 415.445 4.969 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)CC2=O 587459811 IJUNIIBIDMCKJT-JOCHJYFZSA-N 418.873 4.732 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)CC2=O 587464569 SVSLNJDQWGWECT-IEBWSBKVSA-N 424.419 4.966 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCC3(CC1)CN(C(=O)OC(C)(C)C)C3)CC2=O 587474013 DVTIBECTWJBHLU-UHFFFAOYSA-N 415.530 4.860 0 1 HJAF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587497801 MQCIARFHMNPBEH-IBGZPJMESA-N 411.299 4.921 0 1 HJAF O=C1C[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)Oc2c1ccc1c2CCCC1 587534053 VFNADLRBRWATDJ-RUZDIDTESA-N 402.446 4.591 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cccn3)c(F)c2)N1 587726117 UQMHUHMYFQXTIG-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC=C2OCc2ccccc2)N1 587839155 QSDYGRQFGIYXNF-LHSJRXKWSA-N 416.290 4.920 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(OCC)OCC 587858518 IJSGLYHCMGYDQD-UHFFFAOYSA-N 401.290 4.685 0 1 HJAF Cc1nn(-c2ccccn2)c(Cl)c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962368664 BMMJEEWLCHAGRG-NRFANRHFSA-N 423.973 4.777 0 1 HJAF Cn1c([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)nc2ccc(Cl)cc21 962716034 QCPMLFFTZMWHAF-IVZQSRNASA-N 415.965 4.993 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1)C(F)(F)F 962759566 CESGNJBAOQVFJR-RBBKRZOGSA-N 421.422 4.761 0 1 HJAF CSC(=C[C@@]1(c2ccccc2C)NC[C@@H]2CC(=O)N(C)c3cccc1c32)SC 963032666 SKTOCKDXOCPMEE-HJPURHCSSA-N 410.608 4.859 0 1 HJAF Cc1c(F)cccc1[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187371 DNCBIUMHHTYZLI-RDTXWAMCSA-N 401.787 4.669 0 1 HJAF Cc1c(O)ccc2c1[C@](CC1CCCCC1)(c1ccnc(Cl)c1)N[C@H](C(=O)O)C2 963552225 PATGEXBSNGNBOL-MBSDFSHPSA-N 414.933 4.562 0 1 HJAF OC[C@H](c1ccccc1)N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc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c1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3ccncc3)no2)cc1 61907033 LJOKZPNQZLFPQP-NRFANRHFSA-N 418.497 4.813 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1c(F)cccc1Cl 4296634 XWRXBQYMWMTQQZ-PZJWPPBQSA-N 418.896 4.886 0 1 HJAF O=C(c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1 5071120 SEEDTMXQCUPPRB-RBBKRZOGSA-N 412.574 4.608 0 1 HJAF CC(=O)O[C@@]1(Sc2ccccc2)C[C@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O 5712088 ZNIZFWKJSBADSP-AMJRBTLZSA-N 418.555 4.585 0 1 HJAF Cc1ccc(C)c(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1 13815811 UMEIPNHTSHCQOX-UHFFFAOYSA-N 424.931 4.541 0 1 HJAF COc1cc(OC2CCOCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 28572431 BXHASRYUULFTCY-UHFFFAOYSA-N 403.841 4.732 0 1 HJAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2C(=O)OCCCc2cccnc2)cc1 28642556 NFOISRKCLCJHIE-HYBUGGRVSA-N 422.569 4.551 0 1 HJAF COCOc1ccc2c(c1)O[C@@H](c1ccc(OCOC)c(CC=C(C)C)c1)CC2=O 28653699 WAKLAEWPUCTBLI-HSZRJFAPSA-N 412.482 4.867 0 1 HJAF CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/CS(=O)(=O)CCNC(=N)N 40939653 ZKAIIIOGWKNEAA-MVIONNKRSA-N 423.667 4.720 0 1 HJAF COc1ccc(CNCCN2CCN(c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 45367552 DYSCFQWJWVAAEW-HHHXNRCGSA-N 415.581 4.657 0 1 HJAF CC[C@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c1=O 49034982 VHTWPNYYWWWWAZ-CYBMUJFWSA-N 419.259 4.960 0 1 HJAF COc1cccc2nc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)c(C)nc12 49114048 SJSGAVBPKLPYMR-UHFFFAOYSA-N 404.491 4.684 0 1 HJAF CCOc1cc(CCNc2cncc(Oc3cccc4cccnc34)n2)ccc1OC 82068676 SLHFYDIZSAEKLW-UHFFFAOYSA-N 416.481 4.879 0 1 HJAF Cc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCN2CCCCC2)o1 82190453 HJFZBXLINRLLIS-UHFFFAOYSA-N 422.558 4.554 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144685446 ROUKOTHIYUQBSA-LJQANCHMSA-N 415.493 4.534 0 1 HJAF Cc1ccc(N2CCc3ncnc(NCc4cc(Cl)cc(Cl)c4)c3C2)nc1 202610783 LLKMMIHTEDDFRY-UHFFFAOYSA-N 400.313 4.662 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3cccc(F)c3)CC[C@H]12 253756579 POHRSBLYZIRFBO-SMIYNLNTSA-N 410.533 4.678 0 1 HJAF Clc1ncc(I)c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885527 VOYPHLOKOITXBP-UASCKYALSA-N 413.690 4.684 0 1 HJAF Fc1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979104 GRDUFFQDNQWZHG-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF O=C(NCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1cc2c(s1)CCC2 587034813 LYBFGUVZXMZWBE-UHFFFAOYSA-N 403.507 4.622 0 1 HJAF Cc1c(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1C 587040966 KSQDZHMQXXEJHI-SJORKVTESA-N 402.361 4.889 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3cc(OC)c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062604 YDILRUNKCDNCLK-BLVKFPJESA-N 404.297 4.955 0 1 HJAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587068582 CTPWQOVKDHAJTI-ZDUSSCGKSA-N 421.888 4.652 0 1 HJAF Fc1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1Cl 587117295 BRZLURQWPURPPG-UHFFFAOYSA-N 411.584 4.576 0 1 HJAF Cc1cc(Br)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 587147630 PZQHLFQIDFTKAG-UHFFFAOYSA-N 403.230 4.980 0 1 HJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 587194810 BPYCLPJQIAUEHR-VIFPVBQESA-N 424.140 4.701 0 1 HJAF O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1 587215363 GRQDNWXOROYPBS-NTKDMRAZSA-N 409.441 4.671 0 1 HJAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(O)c1 587240847 POPWBKMWFHDYAE-UHFFFAOYSA-N 408.461 4.973 0 1 HJAF NC1CCC(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CC1 587256944 WMKWYZNWHZBEOQ-UHFFFAOYSA-N 402.420 4.819 0 1 HJAF O=C(c1cc(Cl)sc1Cl)c1c(CO)oc2cc(Br)cnc12 587276468 QJKLJPDTCJPYJF-UHFFFAOYSA-N 407.072 4.682 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCNc3nc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587329706 LXOZJFRIRNDZIL-DENIHFKCSA-N 410.832 4.650 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCSc4ccc(Br)cc41)[C@@H](C2)C3=O 587453929 SRPQFJHTXJASIC-LIRRHRJNSA-N 403.297 4.596 0 1 HJAF C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587502468 RKDXUQXMOACSOT-HSZRJFAPSA-N 407.901 4.739 0 1 HJAF O=C1C[C@H](c2cccc(OCCCn3ccnc3)c2)Oc2c1ccc1c2CCCC1 587514584 HEKRHBQIQRATJB-XMMPIXPASA-N 402.494 4.938 0 1 HJAF C[C@]1(C(F)(F)[C@@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550936 WFQULNQUERIPOI-WQVCFCJDSA-N 406.278 4.648 0 1 HJAF O=Cc1ccc(OCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 587566447 NBSGZCHMTBZFEJ-UHFFFAOYSA-N 413.193 4.778 0 1 HJAF COCC[C@]1(Cc2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587728785 FQCFTGYONOKZSZ-ZUOKHONESA-N 410.302 4.736 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C2CCCCC2)N1 587765763 UDMBLIBRCUPOFM-ODXCJYRJSA-N 406.343 4.993 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2 587834193 QVCQRMCOLQBRLG-MKXJDEKUSA-N 406.295 4.544 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CCOC2)(c2ccccc2)N1 587837186 ZZJQBNIBRSOSOC-VTJXTGGHSA-N 404.323 4.793 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)n(C(F)F)n1 587864753 KOVRZVUBCRVQRO-UHFFFAOYSA-N 414.334 4.556 0 1 HJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587925445 AEPFXDPRFQOBTB-JTQLQIEISA-N 410.699 4.933 0 1 HJAF COc1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(F)cc1F 962961822 WJDIUHRMAZKBBN-IBGZPJMESA-N 413.386 4.733 0 1 HJAF Cc1cccc2c1[C@@H](c1ncc(Cl)s1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852250 BOJJPXHAFDTNGS-DYVFJYSZSA-N 422.934 4.831 0 1 HJAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1ccccc1Cl 1857567589 UMBPNPYHHWQWBF-MDZDMXLPSA-N 417.292 4.981 0 1 HJAF CC(=O)OCC=C(COC(C)=O)[C@@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 2356726997 CUPZCQDOYGIYBQ-SOTFAZIXSA-N 406.563 4.829 0 1 HJAF C[C@]12C(=O)N(c3ccccc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 61959821 GCSDUZPEOFFPRM-XQJVOIGCSA-N 410.473 4.761 0 3 HJAF CC(C)C[C@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F 96021243 WUMLEHGQJJWFSA-HNNXBMFYSA-N 415.889 4.616 0 3 HJAF COc1cc(C(F)(F)F)c2cc(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1 1549759 YZBCCQAWZOVEAY-UHFFFAOYSA-N 417.435 4.663 0 1 HJAF C[C@@H]1CCC[C@H](N(Cc2ccco2)C(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C 6932453 QIODCLMIVCXOSX-YVHKJVDXSA-N 407.514 4.990 0 1 HJAF Cc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccco3)CC4=O)n2)cc1 21365664 VRTAANAIQOPCGE-OAHLLOKOSA-N 402.475 4.980 0 1 HJAF COC(=O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)s2)n1 40917445 UYJNBRLVPVJXOT-UHFFFAOYSA-N 409.511 4.763 0 1 HJAF O=C(NCc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1)NC1CCCCC1 73329548 SGPOGQZUVFFFED-UHFFFAOYSA-N 419.569 4.838 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1 82151046 JNCWSOQMXQQQJM-DYESRHJHSA-N 410.537 4.828 0 1 HJAF CC(C)CC[C@H]1C[C@@H]2N[C@@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)N4C[C@]34O)CC[C@@H]2C1 85547812 PNYWNZNMNZVBPJ-ZTOYWDKPSA-N 424.629 4.578 0 1 HJAF biogenic,in-vitro Cc1cc(-n2sc(-c3c(F)cccc3F)nc2=O)c(C)cc1OC(F)(F)F 103190978 NAWKRKJHASTCJK-UHFFFAOYSA-N 402.344 4.755 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H]2CCCC[C@@H]21 169293883 CFDRWKHPJHJISG-PWRODBHTSA-N 402.332 4.534 0 1 HJAF in-vitro CCCCCCN1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 198609837 LUIVVVBAKNBNNR-FKBYEOEOSA-N 402.970 4.738 0 1 HJAF CC(C)COc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Br 586917321 BUVJHZMEHGSOGD-SFHVURJKSA-N 403.276 4.873 0 1 HJAF Cc1c(F)ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 586955153 LSNSBAZEWXMCBC-UHFFFAOYSA-N 415.534 4.702 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)s1 587023584 QTVIWYFKQMCJHC-UHFFFAOYSA-N 400.382 4.932 0 1 HJAF CN1CCN(c2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)CC1 587052267 ZDBLCPHJKZZZJJ-HUUCEWRRSA-N 401.341 4.893 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171029 HYDLSFIPTFSQOL-AWEZNQCLSA-N 421.563 4.628 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587339689 UPESTFIODSBRQC-ISKFKSNPSA-N 405.425 4.764 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)cc1F)CC2=O 587468964 ZFUPYOCLBCIJIX-JOCHJYFZSA-N 420.864 4.951 0 1 HJAF Cn1ccnc1COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512862 PASXXFBQTQMEDF-VWLOTQADSA-N 402.494 4.759 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(=O)C(F)(F)F)cc1 587543506 CKQFMQHBVXZNOU-PXNSSMCTSA-N 414.335 4.840 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(F)F)c1 587552728 BVCWFHPAIQJUSB-NQIIRXRSSA-N 414.360 4.705 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1 587721878 QYHPLTNBOOMPJD-JDNHERCYSA-N 403.217 4.800 0 1 HJAF C/C(=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739490 HKGODIKFIGDGEN-ANWILWMDSA-N 403.339 4.831 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587743739 PMYOLIUFJCXIGI-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1 587764108 NYXIPCOCZOIUIS-FKIZINRSSA-N 400.295 4.612 0 1 HJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587784222 FYRPMQQGASAGAW-STQMWFEESA-N 405.679 4.922 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587807580 XMRXYPDIPTYZQZ-FVINQWEUSA-N 417.278 4.565 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836377 TZVWRIMCKGWYFB-FKIZINRSSA-N 406.295 4.547 0 1 HJAF CCOc1ccc(NCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862189 GZESCQIOCVIBQJ-UHFFFAOYSA-N 419.403 4.729 0 1 HJAF COc1ccc2c(=O)n(Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)ccc2c1 653771351 XGSIBPIDDPLKKW-UHFFFAOYSA-N 419.452 4.785 0 1 HJAF Cc1oc2c(c1[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)CC(C)(C)C2 962765868 NTOAKDSMORSQQR-QRQCRPRQSA-N 419.443 4.652 0 1 HJAF C[C@@]1(c2cc(-c3ccc(Cl)cc3Cl)no2)N[C@H](C(=O)O)Cc2cccc(F)c21 962914230 SEADCDWZFLWVFF-JXFKEZNVSA-N 421.255 4.650 0 1 HJAF Cc1ccnc2c1CCN[C@]2(C[C@H](C(=O)O)c1cccc(F)c1)c1ccc(Cl)cc1 963070256 FZZWWPOLNIGLIY-XUZZJYLKSA-N 424.903 4.830 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc2n[nH]cc2c1 963905126 WIWFUFFORPGJOY-GCJKJVERSA-N 421.497 4.597 0 1 HJAF C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 1772645366 WFLMOPATPNPCCI-INIZCTEOSA-N 420.463 4.568 0 1 HJAF C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)N3CCN(C(C)C)CC3)cc2)cc1OC 1857581141 BBWSCHFXHHJXQG-BQYQJAHWSA-N 420.553 4.683 0 1 HJAF Nc1cccc(-c2cc(=O)n3nc(C(F)(F)F)c(-c4ccc(Cl)cc4)c3[nH]2)c1 1857582860 QTPGNPQRQRIXDT-UHFFFAOYSA-N 404.779 4.611 0 1 HJAF CC[C@H](C(=O)Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1ccccc1 1857606564 UBQXOGUYNUSJLC-IBGZPJMESA-N 404.514 4.529 0 1 HJAF C=CC(=C)Nc1cccc(N=c2[nH]c(Nc3ccc(OCOC)cc3)ncc2F)c1 1857654653 VYDFRHKSNLXMJN-UHFFFAOYSA-N 407.449 4.619 0 1 HJAF C[C@@H]1CC[C@]2(C[C@]3(C)[C@H](C[C@@H]4[C@@H]5CC(=O)[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@@H]43)O2)OC1 2356365106 FJILROSRRZNMAZ-SXSXKUCUSA-N 416.602 4.727 0 1 HJAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)Cc4ccccc4)nc3[C@@H](C)[C@@H]21 2356635765 JXYDNPFWKZLFPR-LSAMKOPLSA-N 424.566 4.578 0 1 HJAF CC[C@H](C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)[C@@H](C)c1ccccc1 1643418 QUNKMUPMBINORL-WMLDXEAASA-N 423.431 4.817 0 1 HJAF N#CNC1=Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2ccccc12 26637223 ASNJBGLZOBVXSH-HSZRJFAPSA-N 407.452 4.870 0 1 HJAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)ccc(F)c2F)cc1OC 28388128 JXVIXVOFNRHUBQ-UHFFFAOYSA-N 404.434 4.720 0 1 HJAF CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 40940631 LIAFDSHDBCUQMB-DQFIXQBVSA-N 421.629 4.979 0 1 HJAF CC(C)c1ccc(C(=O)C[C@@H](C(=O)Nc2ccccc2)N2CCOCC2)c(C(C)C)c1 45373310 FYQINMHHASKUOX-DEOSSOPVSA-N 422.569 4.846 0 1 HJAF COCCn1c(C(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189356 GGOFBZDTSVZULF-UHFFFAOYSA-N 408.333 4.558 0 1 HJAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccc(F)c(F)c4)cc23)c1 84706867 DTKLRMYYNBXXNM-UHFFFAOYSA-N 421.447 4.718 0 1 HJAF CCOc1cc(OCC)c(C(=O)C(C)C)cc1C(=O)Nc1cccc2c1CCN(C)C2 84730298 DONGBNHEENGGPT-UHFFFAOYSA-N 424.541 4.563 0 1 HJAF O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95878284 JVXCBFZGQSQKGM-IEXUWNMDSA-N 420.459 4.622 0 1 HJAF COc1ccc2[nH]cc(CN3[C@H]4CC[C@H]3CC(O)(c3ccc(SC)cc3)C4)c2c1 101185199 KNKGKWINGHKSAD-OALUTQOASA-N 408.567 4.913 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167573837 JXRMUCFYWOMUCA-QAPCUYQASA-N 423.538 4.640 0 1 HJAF CCCC[Si]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 473128325 ZCGWLRACIGAJIP-UHFFFAOYSA-N 418.453 4.972 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnc(Cl)[nH]c-4n3)c(=O)oc2c1C 586918770 SOINSRZAOIJTAP-UHFFFAOYSA-N 424.888 4.617 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)CCCC3 586979806 CFUGGCDZZNXTJY-UHFFFAOYSA-N 415.287 4.604 0 1 HJAF COc1cc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2cn1 586983627 GSVDQVOIGWRXJC-UHFFFAOYSA-N 423.270 4.648 0 1 HJAF Cc1onc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1COc1ccc(Cl)cc1 587075334 GNILCTRXPZXVKN-UHFFFAOYSA-N 409.755 4.568 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1 587126047 JOMFZVSJEGPIAB-HQJQHLMTSA-N 405.302 4.633 0 1 HJAF CC(C)OC(=O)C1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC(F)(F)C1 587131754 SMMDWZSWBPLGGG-UHFFFAOYSA-N 400.425 4.760 0 1 HJAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(O)c1 587239925 CCMYTPRTHWOQES-UHFFFAOYSA-N 410.836 4.613 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@H]1c1ccc(F)cc1 587356172 ZCSSEVRKKPPABU-QUHXJARXSA-N 422.452 4.540 0 1 HJAF CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587372132 DXHODSCUIJUSFF-DENIHFKCSA-N 410.470 4.626 0 1 HJAF C[C@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375161 RKENTKHSOIQDSS-AUSIDOKSSA-N 420.465 4.998 0 1 HJAF O=C1C[C@H](c2cc(Br)c3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587494898 AJZYKZZZRIXODV-QGZVFWFLSA-N 401.256 4.763 0 1 HJAF CC(=O)Oc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504330 RHRFSWQHVUKKHT-FQEVSTJZSA-N 415.283 4.960 0 1 HJAF CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 587587429 MVNPSUBEVNGOCP-WMZHIEFXSA-N 400.434 4.866 0 1 HJAF CCN(CC)c1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 587666964 IXVIPGSZANOYJT-UHFFFAOYSA-N 417.484 4.803 0 1 HJAF CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587745662 WZZPKQKUSNHFPE-LRTDBIEQSA-N 419.338 4.980 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cccnc12 587778692 OJQXOOVNDIPLIC-XUSGNXJCSA-N 411.274 4.915 0 1 HJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(I)cc2[nH]1 587928083 WBBXUCBFGWXCMO-ZDUSSCGKSA-N 422.266 4.727 0 1 HJAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccc(Br)cc2)c1O 587934453 FSRCJZNICPNRRV-UHFFFAOYSA-N 424.092 4.663 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cc3ccccc3)s2)N1 962982463 XQIOIXOIDUWZRV-UZLBHIALSA-N 419.880 4.959 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccc(O)cc3)cc2)N1 962984967 AHFBBUHYZJONKA-NQIIRXRSSA-N 415.823 4.679 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 962997955 NDKHZFZHDJKKLQ-AOMKIAJQSA-N 412.580 4.706 0 1 HJAF CCCCCCOc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963231911 SDWNTTDXYWTTEE-DNQXCXABSA-N 404.510 4.882 0 1 HJAF Nc1ncc(-c2cn(Cc3ccc(Cl)cc3)c3c(F)cc(F)cc3c2=O)s1 1772571324 OTKUXXNMVQFXBL-UHFFFAOYSA-N 403.841 4.687 0 1 HJAF O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)on1 61895941 JDYPXJOALWUTBB-INIZCTEOSA-N 415.921 4.867 0 3 HJAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1C[C@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 261083628 CDVWIDRJWYHNOE-FXDBZKHDSA-N 404.869 4.697 0 3 HJAF O=C(c1ccccc1Cl)c1cc2oc(=O)n(CCc3ccncc3)c2cc1Cl 604888 JBDJPVAIYRNUHO-UHFFFAOYSA-N 413.260 4.770 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 13374491 JCUWKPURUZEBFJ-XPRYDPGISA-N 412.526 4.789 0 1 HJAF in-man CCC[C@@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26830915 ICFXZBZASBXILF-OAHLLOKOSA-N 416.465 4.548 0 1 HJAF in-vitro C[C@@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 27331096 KGFRQVJXQKRIGD-MMUXUBNZSA-N 402.538 4.733 0 1 HJAF CCCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCC 28571967 VHEJDDOCBQFZMX-MBJZRRMBSA-N 412.526 4.831 0 1 HJAF O=C1OC2(CCC(CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 43197391 DIKNQMIECYMTBP-UHFFFAOYSA-N 421.526 4.598 0 1 HJAF Cc1cccc(Oc2c(C(=O)N3CCNCC3)c3ccccc3n2-c2ccccc2)c1 64527952 CFEZUIYKUGSZFS-UHFFFAOYSA-N 411.505 4.777 0 1 HJAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(O)c(Cl)c3)cc2c1 66262216 GOVQGWQQQPKBET-UHFFFAOYSA-N 422.868 4.631 0 1 HJAF COc1cc(-c2nc(NC3CCCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC 82166563 UMSVPSMSHWXJDC-UHFFFAOYSA-N 424.501 4.796 0 1 HJAF Clc1cccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)c1 82181142 LPYVRQYQSIBPBC-KRWDZBQOSA-N 409.877 4.531 0 1 HJAF COC(=O)c1ccc2[nH]cc([C@H](C(=O)c3ccccc3)[C@@H]3C(=O)Nc4ccccc43)c2c1 102908646 MBDSAJRWZAEKCT-XZOQPEGZSA-N 424.456 4.657 0 1 HJAF Cc1nn(-c2cc(Oc3ccc(Cl)cc3)c(Cl)cc2F)c(=O)n1C(F)F 103182902 IWWOIOXLPYCFMT-UHFFFAOYSA-N 404.175 4.976 0 1 HJAF CCOC(=O)C(C)(C)Oc1ccc(N(CC=C(C)C)C(=O)Nc2nccs2)cc1 103243974 GUBPWRJZAJZCFG-UHFFFAOYSA-N 417.531 4.868 0 1 HJAF C[C@@H](c1ccc(Cl)cc1)N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O 114920269 GSNPTSMQCZFHTE-LHSJRXKWSA-N 404.869 4.543 0 1 HJAF CCOc1cc([C@@H](Nc2ccc(C(=N)N)cc2)c2nccs2)ccc1OC(C)C 143100768 YULNLDAKDBEBKV-HXUWFJFHSA-N 410.543 4.815 0 1 HJAF Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)c3ccccc3n2)cc1C 169340761 WPRHSXNBHJIBIV-UHFFFAOYSA-N 420.476 4.951 0 1 HJAF Cc1c(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)nnn1-c1ccccc1 261164433 RNKXZOLTAZEJOU-UHFFFAOYSA-N 419.485 4.654 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(C)c(F)cc3[nH]1)C(=O)OC2 586915051 GTSBSRCGHSTEFL-XGICHPGQSA-N 424.472 4.825 0 1 HJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 586951136 UXPWCAHSOGTXAM-UHFFFAOYSA-N 419.506 4.611 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2n1 586981359 JKNBWSVSXJPFSK-UHFFFAOYSA-N 418.291 4.599 0 1 HJAF O=C1c2ccccc2-c2cc(Cc3nc(-c4ccccc4)no3)nc3ccc(O)c1c23 586989238 CBDYMFPUGXOFMD-UHFFFAOYSA-N 405.413 4.793 0 1 HJAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(I)cc3[nH]2)s1 587014871 SCCBQZQDSWUBAC-VIFPVBQESA-N 413.284 4.697 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)cc3O)nc3cccc1c23 587106964 PLSKJPBIDXSTAJ-UHFFFAOYSA-N 408.457 4.655 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239727 NWTWFCIDSRSUHP-FFUDGTDTSA-N 423.916 4.910 0 1 HJAF CC(C)Oc1ncccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332685 AWNPRLOMDHFNLL-URXFXBBRSA-N 407.441 4.988 0 1 HJAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC 587376510 JANQDMBBNYZYAN-QGZVFWFLSA-N 420.303 4.844 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC1CCOCC1 587606818 FBGFXHDDRPCPHT-RCZVLFRGSA-N 418.445 4.653 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cnccn3)cc2)N1 587776563 XZVIEURTODOYIH-YUNKPMOVSA-N 414.278 4.794 0 1 HJAF CC(=O)SC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587844196 KUYMCVFECQSQOV-HXPMCKFVSA-N 408.336 4.646 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1C(F)(F)F 587868610 PRUQMRKCKLUWTC-UHFFFAOYSA-N 415.293 4.680 0 1 HJAF O=C(O)c1cc(Br)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587951634 XAVGUYOZAIBYOC-UHFFFAOYSA-N 405.292 4.509 0 1 HJAF O=C(/C=C/C=C/c1ccccc1)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 653707669 CFZGEZVGCNQJFD-QKRAZLJLSA-N 411.549 4.723 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@]2(C)c3ccsc3CCN2C(N)=O)cc1F 962710532 MEZIBKKZPOHWMD-QHCPKHFHSA-N 424.497 4.541 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(OC)c3oc(C(=O)O)cc23)N1 962949572 PVSFPVZTRXJXOH-RKNYENMMSA-N 404.466 4.809 0 1 HJAF O=c1c([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc2cccc3c2n1CCC3 962993490 BWTAJEBZARMIGN-DEOSSOPVSA-N 413.546 4.552 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](c1cnn(-c2ccc(C(F)(F)F)cc2)c1)NCC3 963045545 GYILEVUKQGTQJC-OAQYLSRUSA-N 424.426 4.683 0 1 HJAF CC(=O)c1c[n+](Cc2ccccc2C)ccc1C[C@@H]1Cc2cc(Cl)ccc2C1=O 1772582679 MKDMFAQJDRUVFQ-OAQYLSRUSA-N 404.917 4.785 0 1 HJAF COc1ccccc1CSc1nc2ccc(F)cc2c(=O)n1Cc1cccs1 1857575353 UFBDMHSNQCAFIT-UHFFFAOYSA-N 412.511 4.946 0 1 HJAF O=C(NN1C(=O)CS[C@H]1c1c(Cl)cccc1Cl)c1nsc2ccccc12 1857652598 CAPCIAFTYQBNAI-KRWDZBQOSA-N 424.334 4.522 0 1 HJAF CC(C)[C@H](c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857772033 OAHACOXPLGQGIK-LJQANCHMSA-N 412.419 4.994 0 1 HJAF CC(C)CC[C@@H]1C[C@H](CC2=CN[C@H](N)C=C2)C[C@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356819283 FAVAMZXALSTDNV-KNCZDHIESA-N 415.666 4.848 0 1 HJAF COc1ccc(C(=O)NCCC2=CCCCC2)cc1OC1CCN(C(C)C)CC1 12440938 JGPWISHQPLDAIF-UHFFFAOYSA-N 400.563 4.567 0 3 HJAF COC(=O)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 29049631 SFOJWLQZRIIKKI-UHFFFAOYSA-N 416.433 4.607 0 1 HJAF CCCC[C@H](CC)C(=O)Nc1ccc2cnn(Cc3ccc(C(=O)O)cc3OC)c2c1 29478893 GXSQGIALLOEXKT-INIZCTEOSA-N 423.513 4.946 0 1 HJAF CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 36385161 LXMSZDCAJNLERA-JKNFRCCSSA-N 416.583 4.852 0 1 HJAF COc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 43065499 PARCUPGEKAQGLR-UHFFFAOYSA-N 424.585 4.915 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3cc(O)c(CC=C(C)C)cc3C(=O)[C@@H]2O)ccc1O 43074585 YELBDRXMPXVGQT-DQEYMECFSA-N 408.494 4.793 0 1 HJAF biogenic O=c1cc(OCc2ccccc2Cl)ccn1-c1ccc(OCCN2CCCC2)cc1 66262942 KIDKROUQSPXENS-UHFFFAOYSA-N 424.928 4.545 0 1 HJAF Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)cc1 71928115 ZPNXPJSBVFSFKR-UHFFFAOYSA-N 413.294 4.680 0 1 HJAF COCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1 82147437 JOEVJXNDVNYABL-UHFFFAOYSA-N 418.541 4.561 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)cc1 82179958 YILPVHXJKYXMHW-GOSISDBHSA-N 419.554 4.779 0 1 HJAF Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1 95559538 VEYCZBOQOUBOIW-UHFFFAOYSA-N 402.876 4.997 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccccc1 103215555 GOMXWGAJZSOJJE-KRWDZBQOSA-N 418.304 4.812 0 1 HJAF COc1cc(-c2cc(=O)n3ncc(-c4ncc(-c5ccccc5)o4)c3[nH]2)ccc1Cl 143209516 ZQDBGGRZEHAEKJ-UHFFFAOYSA-N 418.840 4.674 0 1 HJAF CCN(C(=O)OC)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 144142402 RFTFWFOCFDNORF-QGZVFWFLSA-N 418.497 4.536 0 1 HJAF Cc1n[nH]c2ccc(NC(=O)c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)cc12 165953402 OJUIZNBXUKNNDG-UHFFFAOYSA-N 411.465 4.671 0 1 HJAF O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166515443 JWJKHRZAMTXMDB-UHFFFAOYSA-N 405.885 4.818 0 1 HJAF CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C/C=C\C(=O)O)[C@H]21 238748535 LLLDEXYDMUTZRN-FDEKQZRUSA-N 404.547 4.521 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cccc(N4CCOCC4)c3)nc3ccc(O)c1c23 586988656 UYOXIAASEFCYAH-UHFFFAOYSA-N 408.457 4.655 0 1 HJAF CCOC(=O)[C@@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989920 SMZFZGQZFVTPGN-QFIPXVFZSA-N 409.441 4.847 0 1 HJAF N=C(N)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998502 LGVDMZBGRVZHCC-UHFFFAOYSA-N 421.298 4.855 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587044322 ZVVVKAOPUQVWEZ-GOSISDBHSA-N 401.919 4.811 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2[nH]1 587073623 IEAHJMHMRYNTFG-UHFFFAOYSA-N 405.889 4.746 0 1 HJAF O=C1COc2cc3[nH]c([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)nc3cc2N1 587158650 IUIZDPJCZRZCEE-NRFANRHFSA-N 423.831 4.855 0 1 HJAF Cc1nc2cccc3c2c(c1[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 587216079 SFWKQJVJRFXOJB-ZEQRLZLVSA-N 409.441 4.785 0 1 HJAF CCCOc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br 587239317 PJEUYRSPJDWUOL-UHFFFAOYSA-N 416.319 4.912 0 1 HJAF O=C(O)CC[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329918 DNWGYWIYYWZPMU-UPVQGACJSA-N 424.399 4.790 0 1 HJAF Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395874 VMHRWWBCHHOSNS-DEOSSOPVSA-N 400.434 4.641 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)OCC)c3ccccc13)CC2=O 587475311 LZGBKHUKNZCZHP-QFIPXVFZSA-N 407.466 4.569 0 1 HJAF Cc1ccccc1[C@@]1(/C=C2/SCC(=O)N2C)CC(=O)c2ccc3c(c2O1)CCCC3 587537857 LEKNFEIGISYPJU-ZDGAQAAHSA-N 419.546 4.781 0 1 HJAF O=Cc1ccc(OCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 587566391 KNEAIDBZCWJHON-UHFFFAOYSA-N 413.193 4.778 0 1 HJAF Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577706 LHKGZQQFLJCPNB-OZXSUGGESA-N 409.441 4.880 0 1 HJAF CCc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579479 NUMTXEIBLBDTKA-WIOPSUGQSA-N 417.461 4.704 0 1 HJAF CCC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587582019 YINUCMYXJKURIH-ZJSXRUAMSA-N 403.434 4.618 0 1 HJAF Cc1ccc(C(=O)c2c(-c3cccc(F)c3)[nH]c3ccc(S(C)(=O)=O)cc23)c(O)c1 587650489 XXXIQQJIYYZUCZ-UHFFFAOYSA-N 423.465 4.623 0 1 HJAF O=C(c1ccc(Br)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656927 MHRMMQQLRKISQZ-UHFFFAOYSA-N 423.241 4.654 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2cccn2)N1 587722120 QXNGQXLCTXPEEJ-FKIZINRSSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(C)(C)C)nc2O)N1 587772010 UXEWNQTWLQPOCR-PRWKNARSSA-N 407.327 4.784 0 1 HJAF CCOC(=O)C(CC)(CC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797682 MVEIUHUHXIEWPF-KZULUSFZSA-N 400.332 4.707 0 1 HJAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 587809350 RENPNMGAEGJTAQ-GIRHQRRASA-N 424.354 4.873 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC[C@H]3CCCO3)cc2)N1 587835361 VZPWBAYRPSPWCU-PJUBBZNESA-N 420.322 4.770 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(OC)cccc1OC 587865079 UKRMWZHULSVVPD-UHFFFAOYSA-N 420.387 4.673 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(F)c(Br)c4[nH]1)(C3)C2 587949859 DJTWIFNJRZCMDR-ORMMXULVSA-N 407.283 4.618 0 1 HJAF COc1ccc2c(c1)[C@@](c1nccc3ccccc13)(c1nccn1C)N(C(C)C)CC2 962088336 GRXOVVLEHSYAEK-AREMUKBSSA-N 412.537 4.535 0 1 HJAF COc1cc([C@H]2NCCc3cc(C)c(F)cc32)cc(Br)c1OC(C)C 962088792 GSFPLMOOAXGLQR-LJQANCHMSA-N 408.311 4.928 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccc(C)nc1)(c1ccc(F)cc1F)N(C)[C@H](C)C2 962634622 UOCDWNGGLNAGAP-PUAOIOHZSA-N 424.491 4.854 0 1 HJAF O=C(O)c1ccc(-n2cccc2[C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962711089 SSYLGFPPACIBIV-QFIPXVFZSA-N 404.491 4.978 0 1 HJAF Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@@H]1c2ccsc2CCN1C(N)=O 962717915 VPVAJZPUCKKBLD-KRWDZBQOSA-N 421.353 4.634 0 1 HJAF CCCC[C@H](Cc1cc[nH]c1)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356605379 DMRFSFVXJMWROZ-OFNKIYASSA-N 415.530 4.602 0 1 HJAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 774742 OFCLBEHXLQNAFZ-GFCCVEGCSA-N 423.271 4.955 0 1 HJAF O=c1c2sccc2nc(SCc2nc3ccccc3[nH]2)n1-c1ccc(F)cc1 2908867 MFIVEWNCIPIAFY-UHFFFAOYSA-N 408.483 4.755 0 1 HJAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4153834 QGVNAVAZXQTHNI-XFEAKLGESA-N 422.456 4.787 0 1 HJAF CCN1c2cc(C(F)(F)F)cc(Br)c2N(C)C(=O)c2cccnc21 5842483 POYPRRVGCSBGMN-UHFFFAOYSA-N 400.198 4.611 0 1 HJAF CCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 13606443 QFNKDYZLIRPAIN-QGZVFWFLSA-N 405.450 4.869 0 1 HJAF COc1ccc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1 26401954 KTUIUURANQJFED-UHFFFAOYSA-N 416.452 4.782 0 1 HJAF CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2ccc(C(F)(F)F)cc21 43061282 CLCAOWVXXGBURD-UHFFFAOYSA-N 408.807 4.624 0 1 HJAF c1ccc(-c2nc(N3CCN(c4ccccn4)CC3)nc3c2CCc2ccccc2-3)cc1 45261770 UMYYYOLVJRCDKN-UHFFFAOYSA-N 419.532 4.631 0 1 HJAF c1cnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc2c1 73311262 OGUOOIGIPTUHSX-UHFFFAOYSA-N 413.525 4.893 0 1 HJAF O=C(NC1CCN(Cc2ccccc2)CC1)c1coc(-c2ccc3ccccc3c2)n1 82086351 FPJRCWZEEBPHIB-UHFFFAOYSA-N 411.505 4.889 0 1 HJAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21 82185485 YXKZRQNAGXTETH-OAHLLOKOSA-N 405.477 4.996 0 1 HJAF O=C(Nc1ccc2c(c1)C(c1nc3ccccc3[nH]1)=NC2)Nc1ccc(F)cc1F 96174718 SEJVCELAIIQALL-UHFFFAOYSA-N 403.392 4.836 0 1 HJAF Cn1cc(C(=O)NCc2cccc(Cl)c2)c(OCc2cccc(C(F)(F)F)c2)n1 103275011 PPESTTDJGPSHFO-UHFFFAOYSA-N 423.822 4.601 0 1 HJAF NC(=O)c1ccc(Oc2ccc(CCNCc3cccc(Cl)c3)cc2Cl)nc1 165591746 GBNHYVAMSNUZPC-UHFFFAOYSA-N 416.308 4.612 0 1 HJAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@@H]2CC[C@@H]1N2C 168410784 LUFCSMMNKWCPJV-RCJHGTSTSA-N 420.372 4.917 0 1 HJAF CC[S@@](=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 206895663 ULVQOPPBCYXVIF-GDLZYMKVSA-N 418.469 4.741 0 1 HJAF C/C(=C/COc1ccc2ccc(=O)oc2c1)CC/C=C(/C)CC[C@@H](O)C(C)(C)O 238767062 SOTUFGKJQVSOCT-WMYOMXCRSA-N 400.515 4.757 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3ccc(Br)c(OC)c3)nc2c1 586978080 WNPWVAJFCZNGCN-GQCTYLIASA-N 421.678 4.944 0 1 HJAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587194448 TXVMOZRBGLFSKB-IBGZPJMESA-N 424.545 4.659 0 1 HJAF Cn1cc([C@@H]2C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2(C)C)cn1 587338406 CIMHDMRAVXDPIY-LEEZEASISA-N 406.457 4.576 0 1 HJAF CC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587345038 IGNHFUSNSQWJMF-URXFXBBRSA-N 407.441 4.953 0 1 HJAF CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587374415 XUZAOSFQZJAWOK-QGZVFWFLSA-N 415.704 4.729 0 1 HJAF CN(C)/C=C\[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543343 BJITXXGXLOZRLG-WHQKUYTGSA-N 421.880 4.978 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1c(F)cccc1F 587559815 ZCAXSFLUFAPGNY-XXBNENTESA-N 420.371 4.763 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586008 AOFZDWNBJIJLTO-DVECYGJZSA-N 421.449 4.727 0 1 HJAF CC(C)[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594257 NQWDUHTURNPLPF-RDGATRHJSA-N 404.462 4.965 0 1 HJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1CCCO1 587750593 IZKRVYBPYVXBPQ-FFUDGTDTSA-N 421.354 4.809 0 1 HJAF COc1ccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587808937 ORWIEWYTHLTVCU-MPBGBICISA-N 406.295 4.619 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccncc3)s2)N1 587852613 HQRHYQMDGMBLGH-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF C[C@H](Oc1ccc(Br)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587872824 RLAAMPJVFGGAQP-JTQLQIEISA-N 403.207 4.665 0 1 HJAF CC(=O)N1CCOc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc21 653672885 VPECWTTUPROGKV-OAQYLSRUSA-N 414.509 4.687 0 1 HJAF Cc1cccc(C(=O)N2Cc3cc(NC(=O)c4cccc(Cl)c4)ccc3CC2=O)c1 1857639662 DWPXWBWEQAPZMW-UHFFFAOYSA-N 418.880 4.626 0 1 HJAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2cccc3cccnc23)cc1 61906057 VSTPJOVOQCAOGM-AREMUKBSSA-N 415.537 4.705 0 3 HJAF COc1ccc(-c2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1OC 40953599 LTKICTRTFYUCCG-UHFFFAOYSA-N 414.479 4.689 0 1 HJAF Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(N)noc2c1 40975405 AOBAYRIIXIIZCU-UHFFFAOYSA-N 413.481 4.633 0 1 HJAF O=C1S/C(=C\c2ccc(Oc3ccccc3)cc2)C(=O)N1CC(=O)C(F)(F)F 49808309 DSCKZBBXUBDJQP-GDNBJRDFSA-N 407.369 4.647 0 1 HJAF Fc1cccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)c1 82179568 OYTBYAOYSDVLRC-GOSISDBHSA-N 423.517 4.528 0 1 HJAF O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1C(F)(F)F 147505507 GUZHPGOLUIRLMZ-UHFFFAOYSA-N 415.820 4.584 0 1 HJAF c1cc2c3cnc(Nc4ccc(N5CCCCC5)nn4)nc3n(C3CCCC3)c2cn1 169706691 VGPGCCHHKHQDOQ-UHFFFAOYSA-N 414.517 4.619 0 1 HJAF CN(Cc1cn([C@H]2CCCC[C@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1 254120030 OOKVRGNCLFDODQ-BJKOFHAPSA-N 424.589 4.560 0 1 HJAF COc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)ccc1Br 586978236 ZPUBDHYGGRAPBU-CLTKARDFSA-N 409.081 4.662 0 1 HJAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccnc(O)c4[nH]3)cs2)cc1 587014707 XEOHMDDZZCZNFB-UHFFFAOYSA-N 423.498 4.725 0 1 HJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)n1 587081370 ZUTGSGGIMQMLOY-MRVPVSSYSA-N 411.687 4.600 0 1 HJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCc1ccccc1Cl 587103925 NCAMHPOTXKDKHU-UHFFFAOYSA-N 412.876 4.959 0 1 HJAF Cc1cc(F)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 587238330 CDJUYWWXVQDXKA-YOKWENHESA-N 403.498 4.565 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)O2 587383712 FHKFYZPBXMPWGR-HXUWFJFHSA-N 418.255 4.722 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](C(=O)O)c1ccccc1)CC2=O 587470578 LMBWRBSAKYHLIT-FGZHOGPDSA-N 405.450 4.527 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1ccccn1)CC2=O 587492083 WPMJQXPZHBCPGT-RUZDIDTESA-N 419.477 4.631 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576084 FPUIKSUEJNMGFY-PXDATVDWSA-N 417.461 4.758 0 1 HJAF CCOc1cc(OC)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594395 HGIDEQMAIXASFG-ZJSXRUAMSA-N 406.434 4.677 0 1 HJAF Cc1cc(C)c2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 587610222 PMPUAGBBKVWWNX-CJFMBICVSA-N 414.413 4.818 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Br)N1 587684189 YMGCGNZIJFUQPU-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCN(Cc3ccccc3)C2)N1 587758667 CUSNIIVXMFAMHZ-YBOAYWMSSA-N 417.366 4.860 0 1 HJAF CCCCC[C@@]1(c2cn(C)nc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587760043 WVJPOJYZNRHUDZ-RNODOKPDSA-N 408.359 4.988 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587828872 AOMCCHWQCMJABU-BIBXISHDSA-N 406.295 4.633 0 1 HJAF CCOc1ccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862649 UCDXIOYCZGVJGB-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF CCOc1cc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)ccc1OC(F)F 587870774 IKQXJHGDANSZJE-UHFFFAOYSA-N 420.387 4.777 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)c1 587930611 DWVLBBPGRVNRPJ-UHFFFAOYSA-N 422.282 4.935 0 1 HJAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587961857 GTQLBDFUWIVNJJ-QWHCGFSZSA-N 415.415 4.992 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCOc1c(F)cc(F)cc12 962401053 VCAPPSKUCVPBDN-JOCHJYFZSA-N 400.494 4.839 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1c(C)nn(-c3ccc(F)cc3)c1C)N(C)[C@@H](C)C2 962563325 FWCWQRWVUWFENW-BSEYFRJRSA-N 409.505 4.611 0 1 HJAF CC(C)(C[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1)NC(=O)OC(C)(C)C 962717483 UYLXSVSGTFNDRI-BEFAXECRSA-N 408.583 4.924 0 1 HJAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCC1CCCCC1)CC3 1772634898 CRXLVHUUJUIHDK-IBGZPJMESA-N 407.583 4.534 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OCC(F)F)c3)n3c2CCOCC3)cc(C)n1 1772636260 JLDMFKSCKGMLCQ-UHFFFAOYSA-N 417.431 4.585 0 1 HJAF Cc1ccc2nc(N(CCCn3ccnc3)C(=O)C=Cc3cccs3)sc2c1 1857593182 DLETWPXERJOAPT-UHFFFAOYSA-N 408.552 4.999 0 1 HJAF CCCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@H]1CC2 1857597924 UQJXGXSRRWGAAZ-ATIYNZHBSA-N 421.585 4.678 0 1 HJAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 2356753126 VHVYWBGGSJQQCN-QZTZHPFYSA-N 414.498 4.726 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@H](N)C=C4)C3)CC[C@H]1[C@H](N)C2 2356838177 LQYBFJPMMGKAMZ-BUMXYPAISA-N 413.650 4.746 0 1 HJAF CCc1nc2ccc(C(=O)N3CCCCC3)cn2c1N(C)CCCc1ccccc1 61908828 DRTHYKZAZUOCMF-UHFFFAOYSA-N 404.558 4.592 0 3 HJAF C[C@@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc2ccccc2c1 61926151 AXXBXOOGFCCWKB-QHCPKHFHSA-N 423.354 4.883 0 3 HJAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCC1 839807 BLFAAYGECSULMU-UHFFFAOYSA-N 416.884 4.649 0 1 HJAF CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN[C@@H](C)c1ccco1 15008618 BLRCGEUGPUWGSE-AWEZNQCLSA-N 424.888 4.694 0 1 HJAF Cc1cccc(Br)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O 28337101 XFSDYEOOAZWMMS-UHFFFAOYSA-N 421.298 4.810 0 1 HJAF Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12 29128226 JSHWFOORJVGUHG-UHFFFAOYSA-N 415.335 4.565 0 1 HJAF CCOC(=O)N1CCC(Nc2nc3cc(C)ccc3n2Cc2ccc(F)cc2)CC1 29569091 ASTSGPPOUQVJOC-UHFFFAOYSA-N 410.493 4.565 0 1 HJAF COc1c(OCCc2ccccc2)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 85633035 SGPVQYUINVJRIQ-UHFFFAOYSA-N 404.418 4.501 0 1 HJAF biogenic,in-vitro CN1CCN(Cc2cc(Cl)cc3c(=O)cc(-c4ccccc4Cl)oc23)CC1 103206212 DFYYQVRFXUVCJB-UHFFFAOYSA-N 403.309 4.514 0 1 HJAF CC(C)(C)C1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 169303475 NCWMMYXHBQUDAJ-UHFFFAOYSA-N 421.588 4.735 0 1 HJAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCC(C)CC2)cc1F 201535009 YCRCBQRDOQKUOZ-UHFFFAOYSA-N 416.493 4.891 0 1 HJAF CN1C[C@@H](c2ccccc2)OC(=O)CCC=CC[C@@H](Cc2ccc(Cl)cc2)C1=O 254133879 FDSZEPJEHLNGEA-UNMCSNQZSA-N 411.929 4.982 0 1 HJAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(O)c4)n3)c(Cl)cn2)CC1 261097535 FQZQPCZXXFXWSF-QAQDUYKDSA-N 423.948 4.797 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586915161 BJFFBFZYFDQMBD-NSPYISDASA-N 421.241 4.820 0 1 HJAF Fc1cc(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978865 AHCFVDCCKXEPCK-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2C1 587032129 PLAYMEZMJFQLJH-UHFFFAOYSA-N 408.886 4.772 0 1 HJAF Cc1ccc2c3c(c4c(nc13)CN(C(=O)c1ccccc1)CC4)-c1ccccc1C2=O 587098380 UKFXPRICSJKZEN-UHFFFAOYSA-N 404.469 4.953 0 1 HJAF CCCc1nc(-c2nc3c(C)c(Br)ccc3[nH]2)nn1-c1ccccc1F 587157269 ZHEJWAVBKNRRKO-UHFFFAOYSA-N 414.282 4.973 0 1 HJAF O=C(CC12CC3CC(CC(C3)C1)C2)c1c(CO)oc2cc(Br)cnc12 587273626 MVCORCUJQMQYHE-UHFFFAOYSA-N 404.304 4.872 0 1 HJAF Cn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342011 LECNPRSIOKRARE-ILBGXUMGSA-N 414.436 4.568 0 1 HJAF COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587400143 ODEXQNUHIFVQRH-HSZRJFAPSA-N 417.461 4.649 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccccc1)[C@@H](C2)C3=O 587444190 SBLVZJLZRQORCZ-YADARESESA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cc(Cl)ccc1OC)CC2=O 587462830 RBWHVNOZDNFIOM-QFIPXVFZSA-N 417.889 4.759 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@H]3C1)CC2=O 587485710 JZLKHTWRCBZSLE-UNVFRBQDSA-N 405.538 4.981 0 1 HJAF O=C(O)c1ccc([C@]2(c3cccc(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531450 GMBRNYNWCPJHPJ-SANMLTNESA-N 414.457 4.878 0 1 HJAF COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587547884 VFLNYAKGHNKKOG-KNQAVFIVSA-N 412.825 4.766 0 1 HJAF O=C(CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Cc1ccc(F)cc1 587567717 BHVMTDSCMYMYPY-GMAHTHKFSA-N 420.436 4.844 0 1 HJAF O=C(O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613145 NZMNMXYQNMOCES-KNQAVFIVSA-N 410.447 4.566 0 1 HJAF CCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587715649 CGPAMUIKXUJAFE-VFZGTOFNSA-N 420.248 4.837 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)n(C)n2)N1 587763291 JAUMOKUSJIBKHL-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2nc(-c3ccccc3)no2)N1 587794348 MAYFWCCOURJHOY-ODXCJYRJSA-N 416.294 4.630 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(O)sc3c2)N1 587855549 GPQIQKWESOGGPA-DYBLOJMWSA-N 407.308 4.701 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(O)sc3c2)N1 587858026 OBUPIFPBYSXQBD-DYBLOJMWSA-N 407.308 4.701 0 1 HJAF COc1ccc(Cl)cc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861280 QFUMDPGYPIYRHT-UHFFFAOYSA-N 410.779 4.928 0 1 HJAF CC(C)c1ccc(OCn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1 587875806 NAJMZAPRTIDAMZ-UHFFFAOYSA-N 418.428 4.840 0 1 HJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587952897 XNEFWSTYPUZMDO-WQGACYEGSA-N 404.454 4.903 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1c[nH]c2nccc-2c1 961782596 YPKAQYHDLWAYMF-OAQYLSRUSA-N 404.514 4.755 0 1 HJAF FCCOc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1 962649254 ZTIPKTLYHHOJEF-BVAGGSTKSA-N 402.513 4.871 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cc3ccccc3)s2)N1 962982461 XQIOIXOIDUWZRV-OXQOHEQNSA-N 419.880 4.959 0 1 HJAF Cc1ncc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc1Br 962997967 NDYCWFMVGYJMAF-IBGZPJMESA-N 400.345 4.757 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccccc1NC(=O)OC(C)(C)C 963030885 FXWJYPUBNOFITE-RUZDIDTESA-N 419.525 5.000 0 1 HJAF COc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1COc1ccc2c(c1)CCC2 963078938 ZUJLTFGTYGQJDK-VWLOTQADSA-N 400.522 4.701 0 1 HJAF CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)NCCc2c(Cl)cc(Cl)cc21 963105357 IRHRLYNUCHQETD-NRFANRHFSA-N 403.309 4.736 0 1 HJAF Cc1cccc(CC[C@]2(C3CCC3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963226236 KVWMLIWXNGUUSA-AZGAKELHSA-N 400.522 4.770 0 1 HJAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@]42CCCc3scnc32)cc1 963831363 FUYWBGACIJGFQX-XMMPIXPASA-N 401.535 4.929 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(O[C@@H](C)CC)c3)C2)cc1 1772583575 UQWBCRYRZIXXCQ-AXHZCLLHSA-N 410.558 4.761 0 1 HJAF CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs1)CCC2 1857540080 LCBHEWKTZDBZSI-UHFFFAOYSA-N 408.506 4.892 0 1 HJAF Cc1nnc2n1-c1cnc(Nc3ccc(C(C)(C)C)cc3)nc1N(C1CCCC1)C2 1857616346 AWPDIOFNNDGDGV-UHFFFAOYSA-N 403.534 4.669 0 1 HJAF Fc1ccc(CN2CCN(C(=S)SCc3nc4ccccc4s3)CC2)cc1 1911585443 NRTUAGIZAUZVQR-UHFFFAOYSA-N 417.600 4.771 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@H]2CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 2356384523 UEVLBOFOSJDJHO-HJOGWXRNSA-N 408.586 4.826 0 1 HJAF C[C@@]12C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N1CCc1c2[nH]c2ccccc12 2110697 BCKRSRBBHCVHGP-HXUWFJFHSA-N 400.265 4.715 0 1 HJAF biogenic COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2485013 QGOUQPUTUPFVEX-UHFFFAOYSA-N 409.244 4.831 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCN(CC)CC 4213560 DNVUGEXEZIOROB-XZOQPEGZSA-N 417.594 4.557 0 1 HJAF Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 28523048 TTWYZLSGGMOKDN-VWLOTQADSA-N 420.601 4.808 0 1 HJAF O=C(NC[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 28523881 AYHZXPXNRGUEPG-DEOSSOPVSA-N 418.516 4.511 0 1 HJAF Clc1cc(Nc2cc(C3CC3)n[nH]2)nc(NCc2cc(-c3ccccc3)no2)n1 38215892 ZTDNEMUCIPKIBD-UHFFFAOYSA-N 407.865 4.741 0 1 HJAF CC(C)CCN1C(=O)N=C(NC2CCCCC2)C12CCN(Cc1ccccc1)CC2 62154054 UENREBBPIRJWDJ-UHFFFAOYSA-N 410.606 4.824 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)oc1C 82175653 RZPHNXMNYFRDRV-UHFFFAOYSA-N 410.493 4.815 0 1 HJAF CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3cccs3)ncnc21 82190548 WUMFOKVEHRAQNY-HNNXBMFYSA-N 424.599 4.713 0 1 HJAF O=C(Nc1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 100093166 QROKADBUAXJMSZ-JKHIJQBDSA-N 405.448 4.604 0 1 HJAF CC(C)(C)NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114800889 AKAVFRAMRYYUBK-UHFFFAOYSA-N 401.510 4.677 0 1 HJAF O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147906119 YHMPABFPNIIFPT-UHFFFAOYSA-N 415.820 4.584 0 1 HJAF Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCCC3CCNCC3)cc12 205261858 JQNYZHASKGVLDO-UHFFFAOYSA-N 417.488 4.595 0 1 HJAF Cc1cc(C)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586958922 IZGNVZNUNKZTKM-YYWHXJBOSA-N 409.555 4.874 0 1 HJAF O=C1C[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)c2c(Br)cccc2O1 587004596 XQLPSHKWOVHOCK-QMMMGPOBSA-N 409.642 4.753 0 1 HJAF Clc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccnc1Br 587005166 AHGREOBMFUJEQR-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(N)ccnc4[nH]3)cs2)cc1 587014646 VVBXPFWWSLXWAW-UHFFFAOYSA-N 422.514 4.601 0 1 HJAF O=C(Nc1nc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cs1)c1cccs1 587019357 LEKUEGRCIHFPBD-UHFFFAOYSA-N 410.311 4.626 0 1 HJAF Cc1c(Br)ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587132072 IOHSLAGAABRGQM-SNVBAGLBSA-N 416.266 4.603 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(COCc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1 587327155 FGYZFHMDRYWHPX-GMAHTHKFSA-N 410.828 4.969 0 1 HJAF C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352599 LGRAHAJLZUKMBA-ZENVKZKDSA-N 422.496 4.980 0 1 HJAF COC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C 587361859 CWMWUTLTFICNAT-LRTDBIEQSA-N 415.445 4.675 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccc(C)cc3)cn1C)CC2=O 587468869 BOTQJOWSESQKDP-QHCPKHFHSA-N 403.478 4.929 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(NC(=O)OC(C)(C)C)s1)CC2=O 587496781 UOKOEEPUABPPNC-HNNXBMFYSA-N 404.488 4.855 0 1 HJAF COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523205 NYVKZTYFACFIBX-VWLOTQADSA-N 408.494 4.776 0 1 HJAF Cc1ccccc1-n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587583260 VENBODQXEJMOLJ-RCZVLFRGSA-N 412.445 4.763 0 1 HJAF Cc1cc(C)c2nc(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587590014 ZDZGOBOLXMBGJO-HYBUGGRVSA-N 413.429 4.966 0 1 HJAF COc1cccc(C[C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602845 ZIFFQHNNZVMYDM-WIOPSUGQSA-N 402.446 4.754 0 1 HJAF CC[C@H](C)Sc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587608626 RJQLBLZTDGCHTB-WMHILYHISA-N 408.479 4.776 0 1 HJAF CSc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 587615533 YBEXHZCYUJWBCD-NZQKXSOJSA-N 422.458 4.588 0 1 HJAF Cc1nc(-c2cccnc2)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587661099 MKMXCDFABIYUDP-UHFFFAOYSA-N 423.451 4.661 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587743080 NTJPRVRJVBRBFW-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF Cc1ccc([C@@]2(c3ncccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587773498 JEUKSLZXXIQSAK-SPLOXXLWSA-N 412.306 4.513 0 1 HJAF COc1ccc2nccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587779915 WRKZLCOWTGFXBQ-GIPWTMENSA-N 401.279 4.769 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587780481 AQJOMTYLBSGWSF-RMKNXTFCSA-N 415.287 4.732 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798003 NJSSZGCZRQSEOY-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OCC4CC4)c3)n3c2CCOCC3)cc(C)n1 1772578699 GJSSIGYGTUVMDF-UHFFFAOYSA-N 407.489 4.730 0 1 HJAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356402407 GMAUEXPAYZYHFY-QZOAGWSNSA-N 404.635 4.940 0 1 HJAF CC1=C[C@H](CNC2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356691118 YAXATQPBJPKCKR-QZNHQXDQSA-N 408.634 4.952 0 1 HJAF O=C1c2ccccc2[C@@H](Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccco1 12469474 HDDKUZXMQTXGTK-DEOSSOPVSA-N 421.460 4.985 0 3 HJAF CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]23)C(=O)O[C@H]5C[C@@]4(C)O)O1 1636668 JRMCJWMKLHLRLM-LFDFAEGWSA-N 400.559 4.565 0 1 HJAF CC(C)OC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 3815917 LFIFXAGOMGUFLO-UHFFFAOYSA-N 403.526 4.858 0 1 HJAF C/C=C/C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 3927813 BDTVUHKARBWQRZ-HCKGSBDKSA-N 408.461 4.874 0 1 HJAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O 14435646 BJMZZPKIBSAQBA-NNJKTZBFSA-N 418.486 4.520 0 1 HJAF biogenic C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c2oc(=O)cc(-c3ccccc3)c2c1O 14586004 RAIZTULKRWIEBV-KBXCAEBGSA-N 422.477 4.580 0 1 HJAF biogenic c1ccc(CN2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1 22927693 ZVSYVUQYFJBBHB-UHFFFAOYSA-N 408.549 4.857 0 1 HJAF COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1ccccc1OC 27558051 QJDHKRPNWSHXQB-UHFFFAOYSA-N 401.462 4.511 0 1 HJAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cncnc1 28380549 RLSLJSBRYUWKFW-UHFFFAOYSA-N 420.247 4.959 0 1 HJAF CCOC(=O)CCCCCC[C@@H](COCc1ccc(OC)cc1)Cn1ccnc1 29485489 MEROYMAHJVXXHP-OAQYLSRUSA-N 402.535 4.628 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@](C)(O)[C@H]1CCCCN1 34778523 DXHPRGWXTHSUDR-CAPAEAJLSA-N 403.651 4.899 0 1 HJAF CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1 64559230 XYOMQFXTPCLTQJ-UHFFFAOYSA-N 403.929 4.786 0 1 HJAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CC[C@H]1CCCN1C 82181363 DTXYTHMFJOFECS-GOSISDBHSA-N 412.969 4.529 0 1 HJAF COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(CC(C)C)cc2)cs1 82192643 OGUWAGLTHKOQDN-IBGZPJMESA-N 403.592 4.598 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncnn1CC1CC1 95589791 JBHLIACCTDPFPX-ZWKOTPCHSA-N 401.301 4.671 0 1 HJAF OC[C@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1 95878532 KHZFHAVWRUEQAM-NQHRYMMQSA-N 406.476 4.981 0 1 HJAF O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929569 OMFZHJNGAXURSE-PCCBWWKXSA-N 413.359 4.824 0 1 HJAF Cc1ccc(S(=O)(=O)N[C@@H]2CCCCCCCCCCC(=O)OCCC2)cc1 103215580 NGHRHQFYOIJSQJ-HXUWFJFHSA-N 409.592 4.880 0 1 HJAF CNC(=O)c1cccc(F)c1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 166621108 FQUINJAHFIYYBP-DHZHZOJOSA-N 404.470 4.778 0 1 HJAF Cc1nn(Cc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1CC(=O)O 168869349 RYZXAZCUPKWZTP-UHFFFAOYSA-N 419.525 4.725 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255243895 NEMWYOKGHGSVSC-XQEUWCJISA-N 415.662 4.563 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@H]13 255269518 SZDAYVWJPZICBE-GFPJNRCASA-N 414.678 4.663 0 1 HJAF O=C(O)/C=C/c1ccc(Cc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1 299851369 FTPRLOVFDBHEGL-LFYBBSHMSA-N 416.404 4.993 0 1 HJAF Cc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 299852058 MRPIPWQQHPAIGR-UHFFFAOYSA-N 423.398 4.909 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 587149604 HVYCXTNLMMJOII-QMMMGPOBSA-N 411.202 4.530 0 1 HJAF CCCc1nc(-c2nc3c(Br)c(F)ccc3[nH]2)nn1-c1ccccc1F 587156850 SYUBEPVMQKRKMM-UHFFFAOYSA-N 418.245 4.804 0 1 HJAF COc1cccc(-c2cc(-c3c(C)[nH]n(C(C)=O)c3=O)nc3c2oc2ccccc23)c1 587363173 OMKZLEDDKFHYLZ-UHFFFAOYSA-N 413.433 4.782 0 1 HJAF COc1ccc([C@@]2(c3ccccc3OC)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587397615 ADHYWTFMUJUOMN-VWLOTQADSA-N 419.477 4.512 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O 587468469 XCUGSMLVCFYBIM-NRFANRHFSA-N 406.837 4.561 0 1 HJAF Cn1c(N)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cnc1=S 587532014 KHDXJFRELUNVIB-XMMPIXPASA-N 417.534 4.520 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CC1CCCCC1)CC2 587582744 ODBJLUNMKUYOIF-JOCHJYFZSA-N 407.510 4.769 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nn(-c3ccccc3)cc12 587583425 WCBJGAITAQCQJQ-JYFHCDHNSA-N 424.456 4.771 0 1 HJAF CC(C)CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587613683 PDFGNLWTBZUUFA-WIYYLYMNSA-N 408.479 4.633 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)F)c2)N1 587720342 SSHOVWGEHBSZHY-MGNBDDOMSA-N 400.238 4.987 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(F)c2)N1 587727077 ABLWFXDLWHNDRH-WLRWDXFRSA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1 587727205 BAMXGWSHOWCWFF-MPBGBICISA-N 424.285 4.760 0 1 HJAF CC(C)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587768920 DTXRMMDXEKBFAK-XIKOKIGWSA-N 402.311 4.983 0 1 HJAF COc1ccc2c(c1)C=C([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CO2 587833069 FHWOPHQHCZGQFQ-BIBXISHDSA-N 404.279 4.648 0 1 HJAF CCCCOc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Br 587929831 MPOYCUDHODOMEL-UHFFFAOYSA-N 417.303 4.938 0 1 HJAF O=Cc1cccn1C[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962710832 PDBCHHDFAPHHEJ-PXDATVDWSA-N 420.553 4.747 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@]3(CC[C@@H](c4ccccc4)c4ccc(O)cc43)c3cccc1c32 963022421 JASJOVBUTCDSCB-ZNFWPTJWSA-N 410.517 4.615 0 1 HJAF Oc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(I)c1 963123069 PELUKAHQKGIFSB-OAHLLOKOSA-N 420.077 4.539 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@H](F)[C@H](F)C1 1772624641 LFYFHYZDVFQHTH-GASCZTMLSA-N 423.341 4.573 0 1 HJAF C=[S@@](NC(=O)c1ccc(Cl)cc1)c1sc(C(=O)OCC)c2c1C(=O)CCC2 1857620975 LPXIQNVDXBGHSM-HHHXNRCGSA-N 423.943 4.502 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(N[C@H](C)c3ccccn3)c12 1857759349 UJQGMCKJOYFQAO-GFCCVEGCSA-N 414.469 4.960 0 1 HJAF CC(C)(C)c1cc(CNC(=O)Cc2ccc3c(c2)CCC3)n(-c2cccc(F)c2)n1 1911586075 PKHNARYFFVDNJI-UHFFFAOYSA-N 405.517 4.657 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cnccc2[nH]1 2356367129 WVDMINBHILGTIO-SFHLNBCPSA-N 420.532 4.924 0 1 HJAF COc1ccc(-c2c(C(=O)O)n(-c3ccc4c(c3)OCO4)c3ccc(OC)cc23)cc1 26006244 ALNZRBOFBJCSQN-UHFFFAOYSA-N 417.417 4.742 0 1 HJAF O=c1c2ccccc2nc2n1CC/C2=C\c1ccc(OCCCN2CCCCC2)cc1 40893722 BNFGDCACLFCEOP-XUTLUUPISA-N 415.537 4.596 0 1 HJAF CCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 40952149 CAYKUVIEFWVPSR-UHFFFAOYSA-N 420.465 4.596 0 1 HJAF O[C@H]1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)C1 45210292 OFGCHWWYPRHOEG-QFIPXVFZSA-N 401.485 4.993 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45320275 XQSKEOBPPYRPOT-BJWOPKJYSA-N 414.634 4.887 0 1 HJAF CCC[C@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NCc2ccc(C)cc2)n1 45323423 RCPKRWYLVQGEIF-RXVVDRJESA-N 411.594 4.837 0 1 HJAF CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)ccn1 59182075 IGXFYIGLRSIJPG-UHFFFAOYSA-N 415.371 4.505 0 1 HJAF c1ccc(CN2CCC[C@@H]2COCCCN2CCC3(CC2)OCc2ccccc23)cc1 71294911 SKYILIFVZPTOLI-RUZDIDTESA-N 420.597 4.579 0 1 HJAF COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1OC 73294987 YUJHALGBDPWFPQ-UHFFFAOYSA-N 422.868 4.908 0 1 HJAF COc1cc2nc(N3CCCCCC3)nc(NCCc3ccc(F)cc3)c2cc1OC 82130925 NUDCVTGBAKPHNB-UHFFFAOYSA-N 424.520 4.821 0 1 HJAF Clc1ccc2c(c1)[C@@]1(CN3CCC(Nc4ncccn4)CC3)C[C@H]2c2ccccc21 100021787 WQRWGWWLRZNMDS-SQJMNOBHSA-N 416.956 4.842 0 1 HJAF O=C(Nc1ccccc1Cl)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100106851 LQJPRLKBVXKFKM-JKHIJQBDSA-N 403.913 4.979 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccc2)n1 167089710 AJINUHRTDLBLGI-LAUBAEHRSA-N 402.494 4.876 0 1 HJAF COc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1F 587031433 GTDCYDZZUXJXED-UHFFFAOYSA-N 403.479 4.732 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587040673 QJSOGIQQDOQPGE-KRWDZBQOSA-N 410.543 4.542 0 1 HJAF Cc1c(-c2nc3cccc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073115 BYDTXOCDJBYTGK-UHFFFAOYSA-N 402.683 4.594 0 1 HJAF Cc1ccnc2[nH]c(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc12 587171143 KKMCYOBMIZUDCZ-UHFFFAOYSA-N 416.865 4.527 0 1 HJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(I)c3[nH]2)c1 587242703 ZUPOOFXTDLELHE-UHFFFAOYSA-N 419.266 4.819 0 1 HJAF CCn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587326388 BMBYACJZHYZGPF-SIKLNZKXSA-N 416.399 4.576 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nccc(-c3cccs3)n1)O2 587415397 ZUJYCHYKCWOUHG-LJQANCHMSA-N 402.479 4.593 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(Br)c1)[C@@H](C2)C3=O 587416513 CINCCQYKUNKLTN-GUYCJALGSA-N 424.088 4.709 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O 587464406 PNSBRRJAWFHTJX-NRFANRHFSA-N 422.399 4.787 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1 587581408 LARBXHKMPQPXDS-NYQDVAGCSA-N 404.466 4.721 0 1 HJAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587581686 IYOSDZOFJQEFJQ-HMFYCAOWSA-N 407.510 4.767 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602549 IMXBXWZEDLAGSK-WIOPSUGQSA-N 418.445 4.813 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3F)c2)N1 587730117 WUCRNBLCRSRURD-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587754397 YJVCUFZSMLLSKT-CFMSYZGJSA-N 418.310 4.916 0 1 HJAF Cc1nccn1-c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758866 YMJMPHBDSPSMRB-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=CNCCC2)(c2ccccc2)N1 587790574 DKPANVXXLIEYII-QKKBWIMNSA-N 401.323 4.633 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2 587833800 OYIJKIBMXDCUQS-DCVWQXJKSA-N 420.322 4.934 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)ccc1Cl 587866625 HNFVAPNBLYXVEA-UHFFFAOYSA-N 416.186 4.968 0 1 HJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587927731 TUFAMADHMHBDCN-JTQLQIEISA-N 410.699 4.933 0 1 HJAF CCOC(=O)c1cc(OCC)n(-c2cc(Cl)cc(Br)c2)c1OCC 587942083 ZFJCZJUJCZEQDT-UHFFFAOYSA-N 416.699 4.867 0 1 HJAF CCOc1c(Cl)cccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962698661 NORFUJIYLSEYSQ-HOTGVXAUSA-N 417.786 4.585 0 1 HJAF Cc1ccc(-c2nc([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cs2)cc1 962962848 HTPJQSNWBUOVMP-KDOFPFPSSA-N 420.868 4.738 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c[nH]c2ccc(Br)cc12 963643494 ZWAGGIHGAHQKNM-YBTHPKLGSA-N 401.304 4.571 0 1 HJAF O=C1CCS[C@H](c2ccc(O)cc2)N1CCNc1ccnc2cc(Cl)ccc12 1772601291 GMCMXMKKQBEVRL-OAQYLSRUSA-N 413.930 4.670 0 1 HJAF CCc1c(O)nc(=O)n(COCc2cccc(Cl)c2F)c1CC1CCCCC1 1772637376 QQBOGVSUNDELHE-UHFFFAOYSA-N 408.901 4.601 0 1 HJAF COc1cc2oc([C@@H]3[C@H](C)[C@H](O)C(C)(C)[C@@H]3O)cc2c2c1CC[C@@H](c1ccccc1)O2 2356283958 IJFJEKNEACFQBH-LNWXRGIZSA-N 422.521 4.989 0 1 HJAF CCC(=O)[C@H](C)C=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(C)[C@@H]1[C@@]2(C)c1oc(OC)c(C)c(=O)c1C 2356532834 ZAIGREUAQVJOJF-KGISNFIASA-N 414.542 4.556 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356545976 UUNHPBZSQYSXEZ-IPZRXEQSSA-N 424.581 4.995 0 1 HJAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@H]1O 774933 YDEONWVRKZOZQV-RBUKOAKNSA-N 424.472 4.580 0 1 HJAF CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(=N)N)c2)cc1 3815580 VMQXKTDLXDGFSD-UHFFFAOYSA-N 414.509 4.773 0 1 HJAF O=C(Nc1cccnc1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605255 ZNTVUPUUOXWCGX-SSEXGKCCSA-N 413.502 4.626 0 1 HJAF CCOC(=O)c1cc(C(C)(C)C)ccc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2 13606932 JJGNSBUTFNARPJ-YRNVUSSQSA-N 409.482 4.584 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26577675 QGHUEJZFQNRKJZ-FQEVSTJZSA-N 422.506 4.556 0 1 HJAF COc1ccc(OCCCN2CCC(C(=O)c3nc4ccccc4s3)CC2)cc1 27867420 CHWBMSDWRPQJGQ-UHFFFAOYSA-N 410.539 4.669 0 1 HJAF CC(C)(C)OC(=O)CC[C@H](NC/C=C/c1cccc(Oc2ccccc2)c1)C(=O)O 29571263 VCVFOBJDLYZZJT-DJGBTNNQSA-N 411.498 4.657 0 1 HJAF N[C@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 45229053 BDODQMHFOIIDCE-QFIPXVFZSA-N 400.501 4.959 0 1 HJAF C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(C(F)(F)F)cc1F 71297025 FVYBXACUKLZYDM-HIFRSBDPSA-N 406.427 4.752 0 1 HJAF CC1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)CC1 82133447 KZFHSTJGVLFVLV-UHFFFAOYSA-N 420.944 4.963 0 1 HJAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 82143072 YKCWTOZAEKRHQB-OALUTQOASA-N 412.578 4.973 0 1 HJAF CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 82154228 YXUMIJMWSKIONG-QGZVFWFLSA-N 408.329 4.687 0 1 HJAF CCCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NC[C@H]1CCCO1 82194648 WBVBGJPTRYLSDJ-SJORKVTESA-N 413.543 4.822 0 1 HJAF CCOC(=O)c1cc(Cc2ccc(Br)cc2)c(=O)[nH]c1-c1ccccc1 84671911 VSYIDWCSAFPEFX-UHFFFAOYSA-N 412.283 4.572 0 1 HJAF CCCC1CCC2(CC1)S[C@H](C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95562702 NHPKDXVEMUZVNS-VQKZYXLISA-N 404.620 4.885 0 1 HJAF CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccccc3)ccc1-2 98085590 LUDMNXOOXWWZDU-FQEVSTJZSA-N 415.493 4.785 0 1 HJAF O=C(Nc1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100105944 YTIHYXYCEWYQRO-JKHIJQBDSA-N 403.913 4.979 0 1 HJAF Oc1c2cc(Br)cc(Br)c2nc(=S)n1-c1ccccc1 139116628 QVMDGHPJSNXGLD-UHFFFAOYSA-N 412.106 4.986 0 1 HJAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(Cl)c3)[C@@H]21 169304694 KOLLVHWFANDHOV-OAQYLSRUSA-N 420.852 4.677 0 1 HJAF CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cc1F)C(=O)O 218553511 HWEULJPNDOZILN-UHFFFAOYSA-N 423.366 4.786 0 1 HJAF O=C(Nc1ccc(SC[C@H]2CCCN3CCCC[C@H]23)nc1)c1cccnc1Cl 504576629 WRPYPJJMEXUTIN-CRAIPNDOSA-N 416.978 4.739 0 1 HJAF biogenic Fc1cnc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017632 NZQHGTVMHWYONF-UHFFFAOYSA-N 417.263 4.585 0 1 HJAF COc1cccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(Cl)c2)c1 587051880 GDRQBSYAIHZKKD-UHFFFAOYSA-N 400.916 4.926 0 1 HJAF Clc1ccccc1-c1nc(-c2nc3cc(I)cnc3[nH]2)co1 587061812 ZVQWYIVBULTRLB-UHFFFAOYSA-N 422.613 4.538 0 1 HJAF N[C@H](N=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138911 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HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCN(C)C)c2)N1 587739194 GJUQTUVWINKUHZ-LHSJRXKWSA-N 421.354 4.542 0 1 HJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587782498 MWMMUZCDRROGNY-UHFFFAOYSA-N 400.413 4.839 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587805312 TUJDDLVMROHUKG-MQJDWESPSA-N 414.322 4.766 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(Br)cc1 587869665 PDDAGXSTYORKKK-UHFFFAOYSA-N 404.239 4.931 0 1 HJAF COc1ccc(CCCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1OC 587926292 WAWGZYWJXDSGFL-UHFFFAOYSA-N 400.478 4.986 0 1 HJAF CCCCC[C@@]1(c2ccc(N)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638795 NPRBTEUTCNQWBJ-CTNGQTDRSA-N 422.447 4.590 0 1 HJAF COc1cc2c3c(c1)-c1c(cccc1OC(=O)c1ccc(F)cc1)C[C@H]3N(C)CC2 1857592613 NBNVLYBLXBFLSX-OAQYLSRUSA-N 403.453 4.806 0 1 HJAF CC1(C)[C@@H]2CC[C@]34C=C[C@@](C)(C3)C(=O)C[C@H]4[C@]2(C)[C@@H]2[C@@H](c3ccccc3)OC(=O)[C@]21O 2356752630 FUGNURRLVDNLHA-CGNOHPJJSA-N 420.549 4.630 0 1 HJAF 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4.635 0 1 HJAF COc1ccccc1N1CCN(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 72102438 YJXPOOIYOXOQAY-UHFFFAOYSA-N 417.431 4.691 0 1 HJAF CCCCCOC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)c1 96286487 YKXMTMJTVOENIT-UHFFFAOYSA-N 417.509 4.807 0 1 HJAF CCCCN(CCCn1cnc2c3ccc(OC)cc3nc-2c1O)Cc1ccccc1 103533881 BMQGGZVBTJCKQU-UHFFFAOYSA-N 418.541 4.943 0 1 HJAF NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCCCCCCCCC3 136635582 UFBFCFVEOWFYAP-UHFFFAOYSA-N 421.559 4.765 0 1 HJAF Cc1nc(N(C)c2c(Br)cc(N)cc2Br)c2ccccc2n1 137592291 QHXFKLORUQEOMR-UHFFFAOYSA-N 422.124 4.813 0 1 HJAF COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 141598464 OPNCBMYHRCYEGA-CZAHGJGASA-O 424.653 4.669 0 1 HJAF CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ncccc3F)cc2)CC1 148043231 RCIBWLDLAUIWOQ-UHFFFAOYSA-N 406.461 4.878 0 1 HJAF CC(C)(C)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019611 PGEYROPJRZUKEI-UHFFFAOYSA-N 406.511 4.866 0 1 HJAF O=C(Nc1sc2c(c1-c1nc3c(O)nccc3[nH]1)CCC2)c1ccccc1Cl 587031286 QIONRKAZLVWYNQ-UHFFFAOYSA-N 410.886 4.786 0 1 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410.397 4.526 0 1 HJAF COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1C 587589692 POJDMWIOLYVKRU-ZJSXRUAMSA-N 401.418 4.893 0 1 HJAF COc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2c1 587616356 CCAORQJJLIMENU-RXVVDRJESA-N 405.431 4.713 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587696149 CUYMIKCHCZMPDT-JEOXALJRSA-N 420.713 4.791 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=COc1cc(O)ccc12 587701281 AYCCKBDHLSJVFO-DYBLOJMWSA-N 410.670 4.544 0 1 HJAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587720185 MWDZQYCURDPCMU-LZVRBXCZSA-N 400.238 4.889 0 1 HJAF CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587722894 UBQXNMIDGTWXER-NIVTXAMTSA-N 400.238 4.760 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1 587735208 XFEKAQQSSGWXIT-HTGLOVNISA-N 424.285 4.616 0 1 HJAF COc1ccccc1-c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587795509 OYXLDEMLAZBGMP-PRWKNARSSA-N 417.278 4.875 0 1 HJAF 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2356729193 MJYDLLGMRPMYSO-VWPQPMDRSA-N 416.581 4.849 0 1 HJAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 61923783 VBSVTTLLONSJNC-YPAWHYETSA-N 402.970 4.738 0 3 HJAF COc1cc([C@H](c2ccc3c(c2)OCO3)C2SCCCS2)cc(OC)c1OC 1649618 ODTWEHBQUGQFIU-IBGZPJMESA-N 420.552 4.769 0 1 HJAF CSc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 3814589 RXTKEXGDJYGJHQ-UHFFFAOYSA-N 412.458 4.684 0 1 HJAF Clc1ccc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)c(Cl)c1 13762472 CKJCINZQXPNLOV-UHFFFAOYSA-N 412.324 4.512 0 1 HJAF Cn1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccccc3)ccc2=O)c2ccccc21 25215581 HGCFRDGJLLDXLM-CTNGQTDRSA-N 409.533 4.626 0 1 HJAF biogenic COc1ccc(CN(CCc2ccccn2)C(=O)c2ccccc2Cl)cc1OC 28343869 XHKQKOIILIDFKD-UHFFFAOYSA-N 410.901 4.637 0 1 HJAF O=C1c2ccccc2S(=O)(=O)c2cc(N3CCC(Cc4ccccc4)CC3)ccc21 28950376 SNBVDJJFZVGXAL-UHFFFAOYSA-N 417.530 4.523 0 1 HJAF CC(C)[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 29216961 OOVBKUSHJKIKBY-ILBGXUMGSA-N 409.526 4.846 0 1 HJAF O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1cccnc1 29394256 KEVJDDXKXLAGPH-UHFFFAOYSA-N 407.436 4.982 0 1 HJAF CCc1nc2c(=O)n([C@H](C)c3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 64436549 IXWIEUSCMKPOBF-QGZVFWFLSA-N 409.493 4.586 0 1 HJAF COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)C3CCCCC3)n2)cc1 82066389 GNPBUMUJEDJMFO-UHFFFAOYSA-N 409.490 4.647 0 1 HJAF CC(C)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCc1ccccn1 82181344 BFERTJUYUMCTFT-UHFFFAOYSA-N 406.921 4.853 0 1 HJAF COc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 84671255 PCZDUACBEPYIDU-UHFFFAOYSA-N 417.505 4.842 0 1 HJAF Clc1ccc2nc(Nc3nnc4sc(Oc5ccccc5)nn34)sc2c1 98084865 WNUFXABOYLMKLS-UHFFFAOYSA-N 400.876 4.985 0 1 HJAF COc1ccc(-c2cc(C(=O)O)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 137967718 ZLYGNZFOFOQYHK-UHFFFAOYSA-N 400.452 4.815 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2ccc3ccccc3c2)cc1 169304535 PBEAOHKVUICPMG-UHFFFAOYSA-N 417.490 4.596 0 1 HJAF CCCOc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br 586882334 OCZIKYLSOXIQCQ-BQYQJAHWSA-N 401.260 4.983 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586886259 OSUBYGTWFRJYLM-BTYIYWSLSA-N 411.299 4.874 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12 586895263 CKEDJGDEEPBCKY-UHFFFAOYSA-N 411.383 4.993 0 1 HJAF CC(C)(C)OC(=O)[C@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989220 BQCBLOIJQDEXGO-AREMUKBSSA-N 415.489 4.989 0 1 HJAF CC(C)(C)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2n1 587064503 UMKNSAKXLBICDP-UHFFFAOYSA-N 422.916 4.817 0 1 HJAF COC(=O)c1coc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347906 CCYBCYNVDCCZMB-YKSBVNFPSA-N 422.408 4.502 0 1 HJAF COc1cccc2c1C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351930 NPAIANGBTOUWMM-NOZRDPDXSA-N 404.437 4.827 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1ccccc1Cl)O2 587377845 KPGRWOHIBOYRKA-DEOSSOPVSA-N 421.880 4.911 0 1 HJAF COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)CC(=O)c2cc(C)cc(N)c2O1 587406921 FSBSUXLQZYIYCM-RUZDIDTESA-N 415.445 4.586 0 1 HJAF Cc1cc(C)c([C@H]2C(=O)OC3(CCCC3)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c(C)c1 587408917 PGXSEHGGZJIUHZ-BKMJKUGQSA-N 419.521 4.860 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2SC[C@H]1C 587415342 RFUXZYSRVRFKQR-NSPYISDASA-N 404.329 4.942 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O 587428056 LQWNTGQZBLJZGA-NBGIEHNGSA-N 418.420 4.862 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4ccccn14)[C@@H](C2)C3=O 587428389 MUYOQOUYKZBCAU-BXKMTCNYSA-N 400.409 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc4c(c3)OCO4)cs1)CC2=O 587492534 ASLQNRKWOCUJFM-FQEVSTJZSA-N 409.463 4.903 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 587519040 UJMRRGRQDQDTLR-APJQNUAFSA-N 411.542 4.936 0 1 HJAF C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553967 CAKOAUTVIMAFKL-VFNWGFHPSA-N 404.315 4.826 0 1 HJAF Cc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587682736 VDAKCUAEJPROBM-PWJLMRLQSA-N 414.116 4.678 0 1 HJAF CCCCOc1cc2nc(-c3ccccc3CC(=O)OC)[nH]c2cc1Br 587783507 UBIKSLDELLGZAD-UHFFFAOYSA-N 417.303 4.887 0 1 HJAF CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794824 HCAXTPYFMAABIA-CFZJUORYSA-N 400.332 4.707 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)nn2C)N1 587850689 DWKBIAWZFWUTOW-YPMLDQLKSA-N 406.324 4.674 0 1 HJAF O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 587961082 IJJUHKUXPOJMRY-UHFFFAOYSA-N 413.193 4.562 0 1 HJAF CC(=O)c1ccc2c(c1)[C@H](c1c(C)cccc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962627435 GCQDADLUQYCQNT-RBBKRZOGSA-N 423.509 4.842 0 1 HJAF CC(C)[C@]1(c2cc3ccccc3o2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628839 FZGRWQYTOVSBKC-UWJYYQICSA-N 419.399 4.830 0 1 HJAF COC[C@@]1(c2cccc(Cl)c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962634422 HOXJCJKAGLDBRI-AZGAKELHSA-N 418.968 4.977 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc(F)c(C(F)(F)F)c1F 963051539 YYMLJMCMGUFPKX-FQEVSTJZSA-N 408.370 4.950 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCCC1 1772578349 ZQVCSQDLZJFMOF-UHFFFAOYSA-N 412.534 4.897 0 1 HJAF COc1cc(/C=C/C(=O)Nc2cccc(CN(C)Cc3ccccc3)c2)ccc1O 1772588882 OSLSNUMCXBJEGP-WYMLVPIESA-N 402.494 4.685 0 1 HJAF NC(=O)c1c(O)c2ccc(Cl)c(Cl)c2[nH]c1=Nc1ccc(Cl)cc1Cl 1857540121 UOATVSFVBCGXMA-UHFFFAOYSA-N 417.079 4.818 0 1 HJAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3ccncc3OC)ccc2N1C(C)=O 1857645385 YVTNNRBIKCBIET-NRFANRHFSA-N 401.510 4.909 0 1 HJAF Cc1cnc(SCc2cc(=O)oc3cc(OCc4ccc(F)cc4)ccc23)nc1O 1857645988 XJQBXMWHFIAFTI-UHFFFAOYSA-N 424.453 4.607 0 1 HJAF O=c1n(C2CCCCC2)c(=C(Cl)Cl)c(=C(Cl)Cl)n1C1CCCCC1 1633152 RJFKWGUZANATSB-UHFFFAOYSA-N 412.188 4.747 0 1 HJAF CCOC(=O)Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl 3833987 PSNDZPLQTPVWJX-UHFFFAOYSA-N 413.305 4.695 0 1 HJAF COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cc(C)nc21 3927449 BRGDLUDFNXOQJE-SFHVURJKSA-N 411.864 4.819 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4049634 MICIAYUIMHMVBK-NOZRDPDXSA-N 414.505 4.598 0 1 HJAF Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1 13560279 MZQMHNMMAJJJCC-UHFFFAOYSA-N 405.586 4.875 0 1 HJAF CCCCCO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641967 OABDDRUDBZSWPT-QGZVFWFLSA-N 411.321 4.572 0 1 HJAF Cc1cc(C(=O)Nc2cc(Cl)cc(N3CCCCC3)c2)cc(C)c1OCCN 16052612 JDYIYIRPQKMWMM-UHFFFAOYSA-N 401.938 4.537 0 1 HJAF in-vivo Cc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@H]2Sc4ncnc(N)c4[C@H]32)c1 28526348 JEYRDAZJCFJWJF-QZTJIDSGSA-N 403.511 4.564 0 1 HJAF O=Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 29482519 SGVPYWKISHQFFA-PKNBQFBNSA-N 405.816 4.556 0 1 HJAF CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@@H]3CC[C@@](C)(C[C@H]23)[C@H]1/C=C/OC(=O)C=C(C)C 34609203 FXXKPLFBIHAEOU-YFIARNFSSA-N 416.558 4.651 0 1 HJAF O=C1CS[C@H](c2c(Br)cccc2Br)N1Cc1ccco1 40917896 BZSOEPFGNMAPFZ-CQSZACIVSA-N 417.122 4.579 0 1 HJAF CN(C)CCCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12 96933169 YWPLPKDTQUPQNN-UHFFFAOYSA-N 414.431 4.899 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@@H](F)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141904815 NIRUKMZQAJQOKO-JCQPOSSFSA-N 403.513 4.681 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCCCCC1 169720801 XKTHQCXRSXSLFT-RTBURBONSA-N 405.329 4.904 0 1 HJAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(-c4ccncc4)s3)cc2)CC1 261073933 AOAIAIINPUUPKW-SHTZXODSSA-N 422.510 4.601 0 1 HJAF CCOc1ncc(CN2CCC(N(C)Cc3ccc(Cl)cc3Cl)CC2)s1 299868406 ZVWDMBQQDJYWIF-UHFFFAOYSA-N 414.402 4.945 0 1 HJAF Clc1nccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1Br 586979987 ZZCDNIVRGXOKDI-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF Cc1nc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1Br 587006150 ITDLQBIMNBUSKO-UHFFFAOYSA-N 406.081 4.711 0 1 HJAF Nc1c(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F 587135234 WCTYUVQTDVYXEW-UHFFFAOYSA-N 408.124 4.751 0 1 HJAF N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1F 587142680 KTVJQYNFOIDRLN-LBPRGKRZSA-N 420.179 4.865 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587239406 KAUMLCJXTPIGED-UHFFFAOYSA-N 403.280 4.579 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587348480 XQBHIXPDEOUNIC-HSZRJFAPSA-N 403.453 4.929 0 1 HJAF O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2N1 587351908 VRDBWAVAKWMKPS-VWNXMTODSA-N 403.409 4.518 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc4nsnc4c3)cc1)O2 587414126 KNIQXQGBLKVWJJ-JOCHJYFZSA-N 417.490 4.867 0 1 HJAF COC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)ccc1Cl 587421008 KIOUYSGSEQQTSD-QRQCRPRQSA-N 424.836 4.884 0 1 HJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587568610 HTFOLHKDIUIBHW-YKSBVNFPSA-N 406.409 4.950 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccncc1 587578781 RTGCZZVDKYZKRU-RCZVLFRGSA-N 412.445 4.534 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(N)c2)N1 587682550 ZQVKLQKIUKQHIB-ZKANADHPSA-N 414.116 4.557 0 1 HJAF COC(=O)c1ccc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587691835 IWGYGKPSBWOLLD-HUTHGQBESA-N 412.686 4.652 0 1 HJAF Cc1cccnc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754363 LWGJQDJBEFTSQU-ORAYPTAESA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587796601 QFRVFJWSTUJSNR-MQJDWESPSA-N 417.322 4.616 0 1 HJAF CC[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804951 DSLLXOLMTDVULK-YUNKPMOVSA-N 408.311 4.793 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1 587841506 BHLXFTYSLSWCPD-VOJFVSQTSA-N 423.351 4.986 0 1 HJAF CCc1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862250 JJCYMUVBVDRSBR-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF Cn1cnc(-c2cc(-c3nn[nH]c3Cl)ccn2)c1-c1ccc(F)cc1OCC1CC1 1857775322 FQSAHNHNKGGKPW-UHFFFAOYSA-N 424.867 4.516 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C)CC[C@@]2(C)[C@@H]4C=C[C@H]3[C@@]1(C)CO 2356461235 YQFLJUFXAGSUHT-OOQZAAGJSA-N 414.678 4.712 0 1 HJAF CC1=C[C@H](CN2CCC(CO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356545118 MSICKHSMAWNUCH-RBZQAINGSA-N 423.601 4.838 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](OC(C)=O)C[C@H](C)[C@]12C 2356545411 JKBLJUFERPGEOU-FWQRCFGTSA-N 402.487 4.709 0 1 HJAF O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CS[C@@H](c2cccnc2)N1 13737443 MKNKCLADYGHTCU-RDPSFJRHSA-N 415.518 4.728 0 1 HJAF CNC(=O)Oc1cccc(CN(C)CCCOc2cccc(Cc3ccccc3)c2)c1 13864710 XRABKTHZTSLCHJ-UHFFFAOYSA-N 418.537 4.897 0 1 HJAF C=C(c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F 14945541 ICEZFAGZFCHSIY-UHFFFAOYSA-N 411.358 4.765 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 26672417 SQHRMUUVYVJDQX-QHCPKHFHSA-N 420.534 4.677 0 1 HJAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(Cl)cc1 27106606 NZKABKLRVGQVFW-KRWDZBQOSA-N 409.979 4.529 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)c3ccccc3)cc21 29479345 HQXSRABQSNFEAV-UHFFFAOYSA-N 400.434 4.649 0 1 HJAF CN1CCN(CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccccc23)CC1 32271392 JIYDDMSIFWBMPH-NJNXFGOHSA-N 412.002 4.760 0 1 HJAF O=C(NCCc1ccccc1)Nc1c(-c2cccc(F)c2)[nH]c2ccccc2c1=O 49111993 YKEOUXURHMTFMJ-UHFFFAOYSA-N 401.441 4.698 0 1 HJAF Cc1cc(C(F)(F)F)n(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 72116597 YEAGKKNHGFQLKI-IAGOWNOFSA-N 404.263 4.839 0 1 HJAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(F)cc3)n2)C1 82140943 LZPOVGGXTODSDQ-ROUUACIJSA-N 418.516 4.695 0 1 HJAF Cc1c(O)c(C(=O)C(C)C)c(O)c2c1oc1c(C)c(O)c(C(=O)C(C)C)c(O)c12 95559719 YZDDRPAVFBMBPD-UHFFFAOYSA-N 400.427 4.703 0 1 HJAF O=C(O)C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1 95597761 QLODKRVWQXTRHR-UHFFFAOYSA-N 409.467 4.526 0 1 HJAF CCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1 95597945 BVBJWAWNJMTFAL-UHFFFAOYSA-N 416.481 4.692 0 1 HJAF COc1ccc(-c2cnc(N3CC(Oc4ccc([C@@H](C)CC(C)=O)cc4)C3)nc2)cc1 96172913 ASCVDXQJAXSKEE-KRWDZBQOSA-N 417.509 4.502 0 1 HJAF CCN(Cc1ccc(F)cc1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103301234 HAKBQRKXDNMLHL-UHFFFAOYSA-N 404.485 4.756 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167322340 RRXDXVXPVJIGDF-KUHUBIRLSA-N 423.538 4.640 0 1 HJAF O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1cnccc1F 299870391 WEUXYMXWKBRDHZ-UHFFFAOYSA-N 404.875 4.984 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(C)cc(F)c3[nH]1)C(=O)OC2 586914968 DEWDZKSGVOQIQZ-XGICHPGQSA-N 424.472 4.825 0 1 HJAF Cc1nn(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1Br 586978985 NDVDMTADEYRKCI-UHFFFAOYSA-N 418.520 4.603 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3c(C)ccnc3[nH]2)cc1OC 587058394 UXJCJBMELJEGDG-UHFFFAOYSA-N 422.872 4.856 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3NC)nc2c1 587066749 GWZFIZLROXFCRU-UHFFFAOYSA-N 408.683 4.864 0 1 HJAF Cc1ccc(C)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 587167728 QWZOYRFHFQOLEF-UHFFFAOYSA-N 401.488 4.848 0 1 HJAF C[C@H](CCCCC(=O)O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351334 JMSKIWLQANRTAB-ZGFCVWDJSA-N 400.446 4.930 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1NC(=O)OCC(F)(F)F)O2 587383043 VBOOYQWSPJNPRI-LJQANCHMSA-N 408.376 4.569 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCN3CCC[C@H](C)C3)cc1)O2 587397316 ZSNXNXNYUZAOMM-XDHUDOTRSA-N 408.542 4.785 0 1 HJAF CCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)s1 587410478 NOPFMDQMEXSYGK-HSZRJFAPSA-N 407.491 4.808 0 1 HJAF COC1=C(c2ccccc2)Oc2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587449530 BWNGURJMIBRSDD-NIYFSFCBSA-N 412.441 4.746 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N(C)C)CC2=O 587456572 RHUOCFDVVGUPEN-GOSISDBHSA-N 404.304 4.880 0 1 HJAF Cc1ccc(S(=O)(=O)n2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587532939 QLOSGNOJZKMALO-QHCPKHFHSA-N 421.518 4.619 0 1 HJAF O=C(O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550698 XVNJYOGWSLJWPV-REWPJTCUSA-N 424.836 4.768 0 1 HJAF C[C@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554041 CKWGQOZKUWNWSN-XUZZJYLKSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccn2)s1 587612761 NBJIWPKRGUGUKC-NQIIRXRSSA-N 402.431 4.614 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)c1 587613622 OHTXXAXIMIOZSS-CRAIPNDOSA-N 403.253 4.919 0 1 HJAF CC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587701301 XAFSHTMZKDSCBH-WYRIXSBYSA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1 587714355 PLGGKZSNTAYTEI-JDNHERCYSA-N 403.217 4.800 0 1 HJAF CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587722892 UBQXNMIDGTWXER-DYBLOJMWSA-N 400.238 4.760 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1 587724141 ZXVVBFDEDCKYBF-ZKANADHPSA-N 420.200 4.816 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cncc2Br)N1 587735930 VSYQAVRHMVFXJI-NZFNHWASSA-N 418.079 4.508 0 1 HJAF Cc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777422 HPNDEUGLPCTNFV-WYRIXSBYSA-N 401.279 4.774 0 1 HJAF COc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780044 XSFMNRHVFZLRML-PRWKNARSSA-N 401.279 4.769 0 1 HJAF COCCCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587793979 NQVGEBVLNKAUNK-ZUOKHONESA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)s2)N1 587847922 MUJHZNVUWIYRNM-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc(-c2ccccn2)n1 587862910 LEKXIUKAECICAE-UHFFFAOYSA-N 411.387 4.727 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1c(C)cc(C)cc1C 587867496 GCLXKSUOLCXTLR-UHFFFAOYSA-N 418.419 4.650 0 1 HJAF C[C@H](Sc1ncccn1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 653709061 SCLWBCPVUBQIKG-AWEZNQCLSA-N 406.536 4.796 0 1 HJAF COc1cc2c(cc1OC)[C@](c1cccc(F)c1)(c1ncccc1C)N(C)[C@@H](C)C2 962628355 LUWFZBBPNOZNAV-SSOJOUAXSA-N 406.501 4.715 0 1 HJAF C[C@@]1(c2sc(N)nc2C(F)(F)F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962691643 ALCHKNYFZFLHJT-QGHHPUGFSA-N 417.497 4.510 0 1 HJAF C[C@]1([C@@H]2C[C@H](N)c3ccccc32)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961125 QTUHZYRXKYWQRT-RZUBCFFCSA-N 416.487 4.759 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cccc(N3CCCC3)c2)N1 963181820 RIUKOWRYNDXMDP-RTBURBONSA-N 424.850 4.647 0 1 HJAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 1772573774 KPCHHLHOZXEQNM-CYBMUJFWSA-N 415.902 4.547 0 1 HJAF NCCNc1ccc(N2C(=O)CN(C3CCCCC3)Cc3ccc(Cl)cc32)cc1 1857562393 WZTGBTZLIFUZLM-UHFFFAOYSA-N 412.965 4.524 0 1 HJAF C=[S@](NC(=O)c1ccc(Cl)cc1)c1sc(C(=O)OCC)c2c1C(=O)CCC2 1857620976 LPXIQNVDXBGHSM-MHZLTWQESA-N 423.943 4.502 0 1 HJAF C[C@@H]1CC[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC(=O)[C@]34C)O2)OC1 2356566104 WCISCSNGCNVQFW-RVBWTTFBSA-N 416.602 4.727 0 1 HJAF CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N(C)C 771565 IERPPHIWEWLMCE-ZCYQVOJMSA-N 414.505 4.932 0 1 HJAF COc1cc2c(cc1OC)[C@@H](C(=O)c1ccc3c(c1OC)C=CC(C)(C)O3)CCO2 13434214 CDEURCNNKHGUSQ-AWEZNQCLSA-N 410.466 4.646 0 1 HJAF biogenic O=C(NCCc1ccc(Oc2ccccc2)cc1)NCCc1c[nH]c2ccc(O)cc12 14979748 DUURBSGUCCFYIB-UHFFFAOYSA-N 415.493 4.750 0 1 HJAF O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25232515 DNRVWBVXLPNGSN-AEFFLSMTSA-N 419.912 4.820 0 1 HJAF biogenic COC1=C(F)[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45317429 WWWWZFLJGIDVFC-CKJXQJPGSA-N 421.438 4.925 0 1 HJAF O=C(Nc1ccc(-c2ccc(CN3CCNCC3)cc2)cc1)c1cccc(Cl)c1 45322897 BXDLQTGTGANYLA-UHFFFAOYSA-N 405.929 4.665 0 1 HJAF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82197861 RTFUNUJIKCJQKQ-QRWLVFNGSA-N 417.575 4.523 0 1 HJAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 82198568 QYANJGUVPLLCBQ-MZCUJISVSA-N 422.569 4.769 0 1 HJAF NC(=O)c1cc(NC(=O)NC2(c3cccc(-c4ccccc4)c3)CC2)ccc1Cl 95575308 QOBOFNYVIXDTNK-UHFFFAOYSA-N 405.885 4.917 0 1 HJAF CN(C)c1ccccc1N(C)C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl 95579907 IULFHMMKRLZFHZ-UHFFFAOYSA-N 417.296 4.918 0 1 HJAF C[C@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1 101028750 ICOAPDOBTUNNPQ-YTQUADARSA-N 419.577 4.796 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCCC4)C[C@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 169361488 RLOJIHUMKRBJCL-YNXSZTIQSA-N 421.581 4.971 0 1 HJAF C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 197970796 UCPOISXDWSVEGI-MPOJONBESA-N 422.488 4.954 0 1 HJAF Cc1cnc(N[C@H]2CC[C@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1 261158033 QHKILCBNOPPVEQ-MXVIHJGJSA-N 405.521 4.885 0 1 HJAF CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473104947 QMMHYPPKJAWXON-MRXNPFEDSA-N 401.923 4.910 0 1 HJAF c1ccc(-c2csc(Nc3cccc(-c4nc5cc6c(cc5[nH]4)OCO6)c3)n2)nc1 587022333 XAPYLKPLCHIPIW-UHFFFAOYSA-N 413.462 5.221 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587068032 WMPPLCNFQDSGTH-CQSZACIVSA-N 421.950 4.743 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138726 SCZNJAJGFOICED-UHFFFAOYSA-N 408.360 4.660 0 1 HJAF Fc1ccc(Oc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cn2)c(Br)c1 587161038 KSGJJJXQDUQPFK-UHFFFAOYSA-N 420.629 4.714 0 1 HJAF COc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C 587169874 DGOFZUVCQNKREJ-UHFFFAOYSA-N 417.487 4.548 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587238382 CWKUERDWQSALOG-UHFFFAOYSA-N 413.197 4.810 0 1 HJAF C[C@@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329790 DJHBDLXWAITPCU-WIYYLYMNSA-N 401.796 4.993 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1Br)[C@@H](C2)C3=O 587411028 BCEIQSKNBGIYNB-SJCJKPOMSA-N 424.088 4.709 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4-c4cccc(C(=O)O)c41)[C@@H](C2)C3=O 587419250 DJAOHGIJSZGMAG-UUOWRZLLSA-N 418.832 4.718 0 1 HJAF CCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453390 YUYJVIICIBEPPO-QFQXNSOFSA-N 414.457 4.647 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3cc(Br)ccc13)CC2=O 587460202 SBIPNLOPPMEJPU-KRWDZBQOSA-N 401.260 4.690 0 1 HJAF Cc1ccc(NC(=O)[C@@H](N=O)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587514231 WDRRCXLHPBAIPX-VWNXMTODSA-N 406.482 4.680 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Cl 587541017 CWQQAPOXGACQBX-SIKLNZKXSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2cccs2)CC1 587610497 GHANZUPCSBGLGN-QPPBQGQZSA-N 421.518 4.696 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccs2)n1 587613464 OZTZEQMEMMCPPG-PGRDOPGGSA-N 404.447 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(C(F)(F)F)N1 587711068 VRDJRIZYCCUAEO-XXFAHNHDSA-N 403.217 4.511 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)F)N1 587717897 HFBDYKYLZGRGPT-JEOXALJRSA-N 412.249 4.856 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587727335 ODLQQLCKPZVJQC-MLXNANBUSA-N 412.665 4.832 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1 587766473 NJSQLJCDIXKBEW-YEJXKQKISA-N 417.322 4.513 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)nn2C)N1 587850708 DYOPKYMGALYHNB-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF COc1cccc(C2(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CCCC2)c1 587931879 QLRIXYKLJIOXPH-UHFFFAOYSA-N 424.444 4.725 0 1 HJAF NC(=O)N1CCc2sccc2[C@]1(c1cccc(CN2CCCC2)c1)C1CCCC1 962720909 YKUZUOWCOVLBJY-XMMPIXPASA-N 409.599 4.715 0 1 HJAF Cc1cnc2[nH]cc([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c2c1 962953802 KEANKDLMRYHLOH-IBGZPJMESA-N 401.432 4.631 0 1 HJAF COc1ccc2c(c1)[C@](CCCCC(=O)O)(c1cc(F)cc(F)c1)N[C@H]1CC[C@@H]21 962998951 XGQCWXJVWNCEAB-RRPUWOKSSA-N 401.453 4.711 0 1 HJAF Cc1cccc2c(C(=O)Nc3c(F)c(F)c(-c4ccccc4)c(F)c3F)c(O)nn12 1857633661 QHNZRENACMJYNG-UHFFFAOYSA-N 415.346 4.824 0 1 HJAF FC(F)(F)Oc1cccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)c1 1857640512 GBMRLJMNEAKBSM-UHFFFAOYSA-N 401.344 4.866 0 1 HJAF Cc1c(-c2cc(-c3ccc(F)cc3)[nH]c(=N)n2)nnn1-c1ccc(Cl)c(Cl)c1 1857772552 XGTJPNIIJXUAME-UHFFFAOYSA-N 415.259 4.558 0 1 HJAF CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 12112194 FEFMWUSWIHJDTK-GOSISDBHSA-N 404.432 4.759 0 3 HJAF C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1cc2ccccc2o1 61895968 MGJBWHWTILKNCJ-OAQYLSRUSA-N 402.416 4.732 0 3 HJAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)sc2n1 753920 CCUNMOBWKQNNNC-GJZGRUSLSA-N 400.592 4.663 0 1 HJAF CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 3955103 RHVPNYWLAXRVBA-DLBZAZTESA-N 408.571 4.766 0 1 HJAF CC(=O)O[C@]1(Sc2ccccc2)C[C@@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O 5664646 ZNIZFWKJSBADSP-LTFYTKAOSA-N 418.555 4.585 0 1 HJAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(OCCN(C)C)cc3)c(C)nn12 27190549 FBSSOZPVRIFCKC-UHFFFAOYSA-N 409.578 4.580 0 1 HJAF CC[C@@H](C)c1ncc([C@@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569376 QHPMUAOAKUZRQQ-GHMZBOCLSA-N 410.358 4.751 0 1 HJAF O=C(c1ccc2ccccc2c1)c1cc(-c2ccccc2)nc2nc(S)[nH]c(=O)c12 28650977 JLLMCCAEQARWHM-UHFFFAOYSA-N 409.470 4.658 0 1 HJAF Cc1nc(NS(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)sc1C 35878888 QDOZBZHYXFMASQ-UHFFFAOYSA-N 407.567 4.899 0 1 HJAF CCC[C@@H]1CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 72139371 HQPFVUSWARQYSL-BEFAXECRSA-N 415.331 4.857 0 1 HJAF O[C@H](CNCc1ccccc1C(F)(F)F)Cn1c2c(c3ccccc31)CCCC2 73170200 KZHMJIOFTFGRJL-QGZVFWFLSA-N 402.460 4.690 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C1 82139777 UJILXPXLPRYSCN-ZWKOTPCHSA-N 410.537 4.924 0 1 HJAF CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(Cl)cc2s1 82153184 KKBLLOYWQIAELP-UHFFFAOYSA-N 413.908 4.635 0 1 HJAF CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC[C@@H]2CCCO)c1 85629198 LXHMXYRWGMCGCZ-LGVFNWMJSA-N 420.590 4.935 0 1 HJAF biogenic,in-vitro O[C@@H](CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccc(F)cc12 95607490 SKZALCXJWOZPOG-QFIPXVFZSA-N 421.541 4.834 0 1 HJAF CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(Cl)c2)CC1 95665466 ZADZTZLCBNKXHZ-UHFFFAOYSA-N 401.934 4.954 0 1 HJAF Cc1ccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)cc1C 103176263 KVRCRUVCZWOASI-HXUWFJFHSA-N 408.564 4.607 0 1 HJAF OC[C@@H](O)c1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1 114592007 CJCUTTNUWPSAAV-QGZVFWFLSA-N 410.779 4.634 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(OCCO)c2)cc(-c2ccc3ncsc3c2)n1 205826158 RMUJFQINJSRSPI-CQSZACIVSA-N 406.511 4.606 0 1 HJAF O=C(Nc1ccc(SC[C@H]2CCCN3CCCC[C@H]23)nc1)c1ccc(Cl)nc1 504472929 RBFAGBZRJZHXED-SJLPKXTDSA-N 416.978 4.739 0 1 HJAF biogenic CCc1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 587007107 XQJXONMTDYDUDE-UHFFFAOYSA-N 408.299 4.765 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587044040 XVYULPZPYWZEGV-CYBMUJFWSA-N 413.808 4.770 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1Cl 587064834 HHCCMGQUDVMLCA-UHFFFAOYSA-N 413.703 4.802 0 1 HJAF Cc1c(Br)cc2nc(C(F)(Br)Br)[nH]c2c1C 587089054 WRZXSNRIKRMLMN-UHFFFAOYSA-N 414.898 4.812 0 1 HJAF Oc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 587153523 TWZROMPWOZDPCH-UHFFFAOYSA-N 417.469 4.948 0 1 HJAF C[C@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335756 OTUGMFOKFIYTFC-ISKFKSNPSA-N 423.415 4.817 0 1 HJAF Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508678 ZPDJWSFXANGHBN-DEOSSOPVSA-N 406.432 4.730 0 1 HJAF CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587545849 PRECMMVAMPESAR-SIKLNZKXSA-N 424.836 4.925 0 1 HJAF COC(=O)c1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587548371 WKBRZPPRSZPUBH-WIYYLYMNSA-N 410.809 4.535 0 1 HJAF O=Cc1cccc([C@@]2(C3CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603974 STSQGVXTWFUSNL-WIOPSUGQSA-N 400.430 4.862 0 1 HJAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587691887 DXYKGDPJZYIUFL-VVVCHXIZSA-N 412.686 4.652 0 1 HJAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587741034 LNDYFQNYJSBNKT-YEJXKQKISA-N 421.354 4.672 0 1 HJAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1 587757287 GWPWIQCWLURBDV-ASSNKEHSSA-N 414.322 4.921 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN3CCCC3)c2)N1 587768077 SRFWFYNCJCVDFW-SZNDQCEHSA-N 403.339 4.808 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587797860 XXNZDPKYBVXBLH-FIKIJFGZSA-N 417.322 4.616 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2 587833364 MZHAXMODUDBDBB-SMDDFHAHSA-N 420.322 4.934 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(C(=N)NO)c2)cc(-c2ccc3ncsc3c2)n1 653681065 ZOUVGETWIHTFRP-GFCCVEGCSA-N 404.499 4.539 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](Cc2ccccc2)(C2CC2)N1 963178409 JUTRELSKROVDLS-QUCCMNQESA-N 409.835 4.806 0 1 HJAF C[C@H]1[C@@H](OC(=O)NCc2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711601 KYALXWDUGONYKN-JHGBEIFQSA-N 404.938 4.526 0 3 HJAF CC1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)CC1 4894235 DJCDZNHZUSNINK-NZBFNNPHSA-N 410.945 4.775 0 1 HJAF CCC(CC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32 13652933 XOTPNDIXHQGKHW-UHFFFAOYSA-N 404.436 4.523 0 1 HJAF CC[C@@H](CNc1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl)OC 28460693 ZLFWFBXVOFGYID-ZDUSSCGKSA-N 409.317 4.624 0 1 HJAF COc1cc(OC)cc(C(=O)NC2(C)CCN(Cc3ccc4ccccc4c3)CC2)c1 36351869 GNEGSAXJXUFMDE-UHFFFAOYSA-N 418.537 4.642 0 1 HJAF CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](CO)c1ccccc1 38149610 QSPAMLVMIBGBJK-INIZCTEOSA-N 407.354 4.559 0 1 HJAF N=C(N)c1cccc(OCc2ccc3ccc(COc4cccc(C(=N)N)c4)cc3c2)c1 42990034 ORYAJLIYMFOJCH-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(N)=O)cc12 58591364 VECQSLYXJYALIT-UHFFFAOYSA-N 403.457 4.518 0 1 HJAF CCN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccccc1 82133803 YFBXQBJUOSNAPR-UHFFFAOYSA-N 414.431 4.866 0 1 HJAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 104056596 SWQCBTCZBVJIOO-INIZCTEOSA-N 410.543 4.820 0 1 HJAF O=C1N[C@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@@H]2O1 114351820 BXKXPJPYACCXTA-GOTSBHOMSA-N 418.924 4.666 0 1 HJAF CCc1ccc(-c2ccc([C@H](CO)NC(=O)[C@H]3C[C@@H]3c3cccs3)c(OC)c2)cc1 141350446 DCGJSXHMNZQIQN-FKBYEOEOSA-N 421.562 4.939 0 1 HJAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143671577 SVWPLMYJLBZCON-UHFFFAOYSA-N 415.820 4.584 0 1 HJAF COc1ccc2cc(-c3ccc([C@@]4(O)CN(C)[C@@H]5CCCC[C@@H]5O4)cc3)ccc2c1 169296267 ICLVRPDPZWNNKL-UODIDJSMSA-N 403.522 4.934 0 1 HJAF O[C@@H](c1ccccc1)[C@@H]1CN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC[C@@]1(O)c1ccccc1 169305904 LFNIKHHUYFVLKL-HPBYUPQVSA-N 405.582 4.756 0 1 HJAF O=C(Cc1ccccn1)N1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1 206194875 MAJFETQCMFQVHW-UHFFFAOYSA-N 412.411 4.731 0 1 HJAF CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2 238737324 QTUISSYYAYQHML-ZQAWKMMESA-N 406.563 4.973 0 1 HJAF CN[C@@H]1CC[C@]23C[C@@]24C=C[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]3C1(C)C 255221571 JPZRLAKTKKZBOO-DBNCLLMISA-N 414.678 4.710 0 1 HJAF CC(C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(C)C 299808099 LNQFENFKXQKWQU-VABKMULXSA-N 400.607 4.822 0 1 HJAF COc1ccc2nc(C)cc(N3CCC(NC(=S)Nc4ccccc4)CC3)c2c1 299859233 FNSJYMQAIJAQAS-UHFFFAOYSA-N 406.555 4.507 0 1 HJAF CCOC(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959259 KFXOQIPIBCLHDF-PMERELPUSA-N 418.518 4.778 0 1 HJAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)ccc2F)cc1 587139248 DRNUATFWZDCROZ-UHFFFAOYSA-N 408.454 4.642 0 1 HJAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587194269 PHLBRVSPDYCJOO-GFCCVEGCSA-N 420.863 4.753 0 1 HJAF O=C1c2ccc(O)cc2OC(c2ccccn2)(c2ccccn2)[C@H]1c1ccc(F)cc1 587338545 OJNUWWPUPBGDMD-QHCPKHFHSA-N 412.420 4.624 0 1 HJAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccnc1 587395924 WDJFJOGSZSPKDD-QFIPXVFZSA-N 404.466 4.656 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587421805 NDUUEFIXQGLYBO-RBZFPXEDSA-N 407.249 4.510 0 1 HJAF CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443012 SMTQFDVRUXHZJC-IPVFLDMMSA-N 422.521 4.747 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCN(c3ncccc3C(F)(F)F)CC1)CC2=O 587464688 WBTMZYSPRGVQJP-UHFFFAOYSA-N 420.431 4.763 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CC=CC[C@H]1C(=O)O)CC2=O 587487588 GLNQEQMZPLTKRN-HUJREVKFSA-N 406.478 4.872 0 1 HJAF O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1O 587529362 ALSLDZFLVDEXII-QFIPXVFZSA-N 404.418 4.936 0 1 HJAF O=C1C[C@H](c2sc(Br)c3c2OCCO3)Oc2c1ccc1c2CCCC1 587533064 UAGCWXKOUYJLLD-CQSZACIVSA-N 421.312 4.867 0 1 HJAF CCOC(=O)C[C@@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599407 XFCSPJQWZQFKOO-ZJSXRUAMSA-N 412.482 4.872 0 1 HJAF CC(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587648675 FFVARBRRKHLPTO-UHFFFAOYSA-N 409.429 4.945 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O 587698649 ZHSZJFHAOKVFDS-PWJLMRLQSA-N 400.675 4.579 0 1 HJAF CC(C)C[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706493 QMCYZPZPTBSBPU-HWPZZCPQSA-N 410.249 4.885 0 1 HJAF COC(OC)c1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587718569 NJOOBUYTARRJHU-XTZNXHDOSA-N 412.274 4.642 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3F)nc2)N1 587728388 SAUBHJFQTVTFOX-JEOXALJRSA-N 416.269 4.808 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587789149 AFWDMJRMXQTKPC-MQJDWESPSA-N 417.322 4.616 0 1 HJAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798934 QFDAOWFMHGOESX-LHSJRXKWSA-N 420.322 4.546 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccccc3)C2)N1 587816581 AKMCVUIZECHAKJ-QTPGKHNVSA-N 402.307 4.855 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824423 WOCMOVAPRINZEX-PKQAIAMASA-N 402.307 4.517 0 1 HJAF CCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2 587833361 MZHAXMODUDBDBB-QSRBQVKKSA-N 420.322 4.934 0 1 HJAF Cc1ccc(-c2noc(C)c2[C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731776 UKHRDRSTTLDWAJ-PXNSSMCTSA-N 400.400 4.694 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1)C(F)(F)F 962759563 CESGNJBAOQVFJR-IFMALSPDSA-N 421.422 4.761 0 1 HJAF Cc1cccc(C)c1[C@]1(c2cnc3ccccc3c2)NCCc2nc3ccccn3c21 962982627 IZCDBEJYYDYWKC-MHZLTWQESA-N 404.517 4.937 0 1 HJAF COc1cc(/C=C/C(=O)OCC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O 1772632177 SBORMRHHDDTMTD-WEVVVXLNSA-N 415.917 4.523 0 1 HJAF COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1 4238046 COSJBNDYARRWGP-UHFFFAOYSA-N 423.513 4.604 0 1 HJAF O=C1N(Cc2ccccc2)[C@@H]2[C@H](CCCCCO)SC[C@@H]2N1Cc1ccccc1 6579970 BYQGXFAPJUCLFA-VABKMULXSA-N 410.583 4.530 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 13823506 RCXGNJNDQYAWDC-DNOMIITOSA-N 422.606 4.890 0 1 HJAF O=C1NCN(CCC2CCCCC2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 13981801 VINKEDWNIQKGKA-DQEYMECFSA-N 423.645 4.907 0 1 HJAF COc1ccccc1N1CCN(Cc2cccn2-c2ccccc2C(F)(F)F)CC1 28114282 WPPMIUQAPMGQIL-UHFFFAOYSA-N 415.459 4.827 0 1 HJAF Cc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1C 40879779 HFTPWWWEDCJNRU-UHFFFAOYSA-N 413.477 4.810 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCc2cncnc2[C@@H]1c1ccc(C(F)(F)F)cc1 43203452 HBSIDFVCWOXNNO-IBGZPJMESA-N 416.378 4.814 0 1 HJAF O=C(NC1CCCC1)c1noc(-c2ccc(Br)cc2)c1Br 66073750 SHBGWSIPKFLWGC-UHFFFAOYSA-N 414.097 4.539 0 1 HJAF O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccc(Br)cc2)C1 66113491 SWWGNBFISDLTSG-UHFFFAOYSA-N 408.727 4.800 0 1 HJAF COCCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82154219 IQVQDZCJKKAHHO-UHFFFAOYSA-N 416.525 4.541 0 1 HJAF CN(C)C(=O)Oc1ccc2cc(C(=O)Nc3ccccc3)ccc2c1Br 84706402 VYTKCICYAFCVLL-UHFFFAOYSA-N 413.271 4.915 0 1 HJAF OCC1CCN(c2ncccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95559579 XGFBQNCOZRNUGL-UHFFFAOYSA-N 415.497 4.703 0 1 HJAF in-vitro CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)nc3)cs1)CCCC2 146831301 FTNZRNLTRSXLOV-UHFFFAOYSA-N 405.531 4.538 0 1 HJAF CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@@H]4[C@@H]3CC[C@@H]12 169323360 IVMOGXVDSLYJFW-OCQXNCTHSA-N 424.610 4.956 0 1 HJAF COc1cc2c(cc1OC)CN(c1csc(=Nc3cccc(SC)c3)[nH]1)CC2 473084144 FNNVKEZOQMMZPU-UHFFFAOYSA-N 413.568 4.610 0 1 HJAF CCc1nc2ccccc2n1CCCCOc1cc(C)c(CN2CCOCC2)cc1C 473248662 PRYWBEPEHIEIMY-UHFFFAOYSA-N 421.585 4.907 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cccc(Br)n3)nc3ccc(O)c1c23 586987002 XCFXBSJORZTUPB-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF Cc1ccc(C)c2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587005940 ASVXPNHXRHXTAB-UHFFFAOYSA-N 408.299 4.819 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncc(Cl)c3[nH]2)c1 587048709 LZODXMIOZSSUQO-UHFFFAOYSA-N 420.300 4.575 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)cc2[nH]1 587167369 RPJQWDQCLIUYQZ-INIZCTEOSA-N 403.255 4.834 0 1 HJAF C[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356580 KFRAQUIVRUMHQC-UPVQGACJSA-N 406.409 4.577 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c3c(c1)OCCO3)CC2=O 587460547 TVNFQLCBSAYTAA-KRWDZBQOSA-N 419.271 4.585 0 1 HJAF COCOc1ccccc1[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516048 UESQXHNGIQWAOA-AREMUKBSSA-N 415.489 4.852 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1cccc(Br)c1C2 587548151 SKKGJMNJSAFLHB-SIKLNZKXSA-N 423.262 4.654 0 1 HJAF COc1ccc(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601027 PXRWDAJTYSVQLW-WIOPSUGQSA-N 402.446 4.903 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(F)cc2)N1 587733312 LGGAOKXUVDGALG-ZSEKCTLFSA-N 415.281 4.948 0 1 HJAF CCC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810944 YNFWZBNDSZKEHX-PRWKNARSSA-N 422.294 4.536 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1 587827441 OVKPWGXWJMCIMC-XUSGNXJCSA-N 418.306 4.791 0 1 HJAF Cc1ccc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837998 LZLKWFIWVLILGX-WYRIXSBYSA-N 402.263 4.627 0 1 HJAF COc1ccc2c(c1)[C@@](c1cccc(OC)n1)(c1cccc(F)c1F)N(C(C)C)CC2 962089473 JRRPPMRORGEEEB-RUZDIDTESA-N 424.491 4.935 0 1 HJAF COc1ccc2c(c1OC)[C@@]1(CCCOc3c(Cl)cc(C)cc31)N(C)[C@@H](C)C2 962618729 DLHCCMXMLFUJQW-WNSKOXEYSA-N 401.934 4.958 0 1 HJAF Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962981622 VIERWSHOOJVHKH-UTKZUKDTSA-N 416.855 4.714 0 1 HJAF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc(Br)c1O 963118464 FYHFQDMKKLQHRY-OAHLLOKOSA-N 403.103 4.705 0 1 HJAF CC(=CCO)CC[C@]1(C)[C@H](C)CC[C@@]2(COC(=O)CCC(=O)O)C(C)=CCC[C@@H]21 2356496750 ZHDNTNMAWDHSRT-PEVILPJXSA-N 406.563 4.892 0 1 HJAF C[C@@H]1[C@@H]2CC[C@H](CO)CN2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356664295 PHPBOUSFBOILOX-LZQZKFTPSA-N 413.646 4.627 0 1 HJAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2SC(=O)NC2=O)cc1 1485454 RMXPOMPOLIFBBX-HXUWFJFHSA-N 422.506 4.903 0 1 HJAF CC(C)CCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13740908 WAICHBXZTLQXKX-WILZEYHLSA-N 402.623 4.723 0 1 HJAF O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Nc2ccncn2)cc1 28952591 OZNWPHBJFYYGNK-UHFFFAOYSA-N 409.421 4.874 0 1 HJAF O=C(N/C=C/c1ccccc1)[C@@H](c1csc2ccc(Cl)cc12)P(=O)(O)O 40584871 MNUNMFWGEVHZSR-KBOKABMXSA-N 407.815 4.561 0 1 HJAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@@H](c1ccc(O)cc1)[C@@H](O)C2=O 43123186 ITVZAHAQSAAKJV-ZEQRLZLVSA-N 408.494 4.793 0 1 HJAF biogenic Nc1ncnc2c1ccn2-c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 45245893 QGDYELVPVSSWKI-UHFFFAOYSA-N 413.268 4.954 0 1 HJAF CC(C)(C)OC(=O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186595 PIHLHOPIOHCKCK-FQEVSTJZSA-N 401.938 4.814 0 1 HJAF C[C@H](NC(=O)[C@@H](N)C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 96167868 LUNUTDXQTSGSJG-UTKZUKDTSA-N 416.458 4.707 0 1 HJAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 100109339 NPXTWBJZYGZKSG-GQOYEBEOSA-N 401.432 4.710 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCCC[C@H]23)cc1 105505915 GECBHJXRQAUPDJ-DEVSCXNHSA-N 400.478 4.737 0 1 HJAF CC(C)(C)n1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 143278364 UPXXMBFEAGINOV-OAQYLSRUSA-N 402.416 4.576 0 1 HJAF COc1cc(OCc2cccc(O)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 143874652 AZDMCIMASFWBLR-UHFFFAOYSA-N 423.450 4.506 0 1 HJAF Cc1ccc2ncc(N[C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1 146508523 QRKSJRJLTHRHMS-QHCPKHFHSA-N 419.525 4.947 0 1 HJAF CCn1nc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1C 146923006 YIFLFNOMXJEUJD-UHFFFAOYSA-N 400.530 4.638 0 1 HJAF CCOC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2cn1 205128981 PNIPDZDFPOPOTG-UHFFFAOYSA-N 412.493 4.578 0 1 HJAF Cc1cc(-c2cnc(N3CCC(c4nc(C(C)C)no4)CC3)c(C#N)c2)ccc1C#N 207685591 TXALYVIWRLTFFP-UHFFFAOYSA-N 412.497 4.691 0 1 HJAF in-vitro CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)c(F)cc3[nH]2)c1 587049668 TWHYGBGDPZLRTA-SREVYHEPSA-N 418.831 4.885 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105019 ZHBORVPTTMQRPS-AWEZNQCLSA-N 400.478 4.828 0 1 HJAF Cn1ncc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587339200 FJZXVHNHMHZQJB-LADGPHEKSA-N 402.425 4.692 0 1 HJAF O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587343064 RJRCDHXPWSCHNO-ILBGXUMGSA-N 414.436 4.682 0 1 HJAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354312 QJNGCKGNFJHUCF-DGVNSZMKSA-N 410.441 4.540 0 1 HJAF C/C(=C\[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587370105 BTDTVRYPQIESCE-QGFLDLQWSA-N 415.331 4.666 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](C1CCN(C(=O)OCc3ccccc3)CC1)CC2=O 587474801 JXAZBORKNHMNJS-QHCPKHFHSA-N 423.509 4.727 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC(F)(F)F 587552679 BEDHBCDYBDJRIP-YLJYHZDGSA-N 402.324 4.994 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1 587718380 ISZUUELSERWSBS-PWJLMRLQSA-N 400.194 4.533 0 1 HJAF COc1ccc2nccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587777004 FJYVTDNYLRZVLS-BIBXISHDSA-N 401.279 4.769 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=CNCCC2)(c2ccccc2)N1 587794359 MNUNQKZSPDGERH-LHSJRXKWSA-N 401.323 4.633 0 1 HJAF CC[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804109 AUJBTMPVWDBFDE-MPBGBICISA-N 408.311 4.793 0 1 HJAF COC(=O)CCCC[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805119 GSQUNFHLBWSRNC-JMERFSKESA-N 400.332 4.707 0 1 HJAF CC[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587805600 GKWRRLWZNJGSMT-ODXCJYRJSA-N 408.311 4.793 0 1 HJAF CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806533 JRYKCSOWRMRKOB-LRTDBIEQSA-N 422.338 4.988 0 1 HJAF CC[C@@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808121 OZTRLUWAWVOHRI-ZSEKCTLFSA-N 422.338 4.988 0 1 HJAF Cc1ncc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)nc1Br 587941880 SEXLITOEUAVAIV-UHFFFAOYSA-N 415.074 4.723 0 1 HJAF CC(C)(C)Oc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943882 RFZDXEYOCSPZGB-UHFFFAOYSA-N 401.409 4.995 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1cc(F)c(Br)cc1C)N(C)[C@@H](C)C2 962575012 VFURMIBQKDTTFX-HXPMCKFVSA-N 408.311 4.880 0 1 HJAF CCOC(=O)Nc1ccsc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962717848 WRHOONROFUHGGU-SCLBCKFNSA-N 406.548 4.909 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)c(CC)c1CC(=O)O 1772575913 FYBUWQSEDYSKGA-UHFFFAOYSA-N 424.451 4.505 0 1 HJAF CN(C)c1ccc(-c2cn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)nn2)cc1 1857757387 XQACUFVSHGFVRE-UHFFFAOYSA-N 420.520 4.912 0 1 HJAF COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1 13861807 PPTCTUGJBXRBCN-UHFFFAOYSA-N 414.958 4.958 0 1 HJAF O=C1OC(c2ccc(O)c(F)c2)(c2ccc(O)c(F)c2)c2ccc3ccccc3c21 14968890 MZAQKJGJNGPFRE-UHFFFAOYSA-N 404.368 4.992 0 1 HJAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2cccc(C(F)(F)F)c2c1O 29231964 NMTLRACYKZRLTG-UHFFFAOYSA-N 407.295 4.687 0 1 HJAF O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1 29395267 XNGOAZGWDNVBTB-UHFFFAOYSA-N 407.436 4.982 0 1 HJAF COc1cccc(OC)c1C(=O)NCCCCNc1ccnc2cc(Cl)ccc12 35190688 YWCGYSKGYPRBKG-UHFFFAOYSA-N 413.905 4.528 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1ccc2ncccc21)C(F)(F)F 64498940 QFWHAFOCMOQSHC-HXUWFJFHSA-N 410.411 4.845 0 1 HJAF O=C1Nc2c(Cl)cccc2/C1=C/NCCCNc1ccnc2cc(Cl)ccc12 66123613 GABZNAASJZFEJC-VBKFSLOCSA-N 413.308 4.926 0 1 HJAF Clc1ccc(-c2ccc3c(c2)C[C@H](NCc2ccc(-n4cncn4)cc2)C3)cc1 84690914 YLPJSFWHIZXTEJ-HSZRJFAPSA-N 400.913 4.845 0 1 HJAF COc1ccc(-n2cc3nc(-c4ccccc4)nc(NC(=O)c4ccccc4)c3n2)cc1 95582557 SLBHWADPYWJYRK-UHFFFAOYSA-N 421.460 4.743 0 1 HJAF COc1cc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc(OC)c1O 103657901 QIPGVWNDSRYFPP-QWODIWHTSA-N 423.469 4.649 0 1 HJAF Nc1cnc(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)c(Cl)c3)CC2)cn1 114346600 LINSRJQQGQTFBQ-UHFFFAOYSA-N 411.336 4.928 0 1 HJAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219956392 CESZWWHNRSDDNY-ZZLPTCMGSA-N 416.599 4.796 0 1 HJAF in-vitro CCCCCOc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br 586891266 NTARPFLMHXAILO-SFHVURJKSA-N 405.292 4.682 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894579 MYYWQLHZYAOBND-UHFFFAOYSA-N 423.623 4.639 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)c(Br)cc2[nH]1 586972321 HGKDISUGJPOHTD-GOSISDBHSA-N 418.360 4.744 0 1 HJAF O=C(Nc1nc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cs1)c1cccs1 587019948 UDFOOAGWDDWYCY-UHFFFAOYSA-N 408.430 4.943 0 1 HJAF N[C@H](N=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138206 BRCUMENXJPNMQL-LJQANCHMSA-N 408.364 4.597 0 1 HJAF C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCC1OCCO1)CC3 587210768 HNUHGKBHKAGNDD-HNNXBMFYSA-N 412.530 4.615 0 1 HJAF CC(=O)Nc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341664 ZPWHAWPXWHNAAQ-LADGPHEKSA-N 405.425 4.764 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)nc3ncccn13)O2 587380061 OZWIYUCJMAPTIG-SFHVURJKSA-N 404.857 4.647 0 1 HJAF COC(=O)[C@H](Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 587400289 MKBBOCZAECIAPX-DHIUTWEWSA-N 417.461 4.577 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O 587461413 KFFCHOBUZQPHJO-DMZKTXOQSA-N 402.874 4.970 0 1 HJAF CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615025 VACLCAQWJRFRCP-FKHUDQKESA-N 424.474 4.510 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1 587704739 JTISCDFCJUHCCF-JDNHERCYSA-N 420.200 4.746 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccs3)nc2)N1 587854370 TVAHGHQLZRNLAY-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF O=C(/C=C\c1ccccc1F)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653719079 IGKGNEPMCHQTPB-OPSAWKISSA-N 412.424 4.635 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@H]1CC(C)(C)NC(=O)OC(C)(C)C 962372737 JLUIURACSLTETD-GOSISDBHSA-N 403.592 4.879 0 1 HJAF CC(C)N1CCc2nc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)sc2C1 962713382 RLJBBFHSMFOEPL-YCRPNKLZSA-N 417.619 4.502 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@]2(CC(=O)c1cccc2ccccc12)C(F)(F)F 963118249 AXFKCAZMZIMIBX-JOCHJYFZSA-N 413.395 4.714 0 1 HJAF Cc1ccc(C(=O)O)cc1-c1ccc([C@@H]2NCC(C)(C)c3ccc4c(c32)OCO4)o1 963391420 SVKRZIOOWXOLNP-NRFANRHFSA-N 405.450 4.652 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1cccc(C=O)c1 963856223 UXENFOSQLJSMNE-CJFMBICVSA-N 423.509 4.708 0 1 HJAF CC(=O)O[C@H]1C(C(C)C)=CC=C(C)C[C@@H](O)C=C(C)CCC=C(C)[C@H]1OC(C)=O 2356646907 SVAFVUMQBHODCP-QTJGBDASSA-N 404.547 4.816 0 1 HJAF CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 3783675 CYUMNDVYHILLEX-UHFFFAOYSA-N 409.497 4.588 0 1 HJAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OCC 4206756 BNMXBFDLCRUYBO-PZJWPPBQSA-N 400.906 4.747 0 1 HJAF CC[C@H](Cc1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358314 NJBZIYUACQJAEQ-CQSZACIVSA-N 409.404 4.549 0 1 HJAF CCN(CC)CCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C 13809643 ABAWTOZNWVBCHD-UHFFFAOYSA-N 419.356 4.661 0 1 HJAF O=C1N(CCCCCCOc2ccc(Br)cc2)CCN1c1ccncc1 29403338 SXXDOEWPBDRPDB-UHFFFAOYSA-N 418.335 4.726 0 1 HJAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN1CCCCC1 96938975 USWBHUDJQZWJEA-UHFFFAOYSA-N 410.512 4.701 0 1 HJAF CCc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 100618839 TVFVWZFGIFIBQA-QFMRLBMFSA-N 414.509 4.962 0 1 HJAF CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23 100774255 IJVOVAHXZFALHZ-YCLYLIBOSA-N 422.477 4.811 0 1 HJAF endogenous,in-man Nc1ccc2c(c1)C(=O)[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103233603 IIHJPCWUEQCUOZ-QGZVFWFLSA-N 407.489 4.564 0 1 HJAF COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 169720988 IIOHKXDENDKFQI-RTWAWAEBSA-N 403.526 4.775 0 1 HJAF Clc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1 203005494 ZVZRXFYOOMOQPD-UHFFFAOYSA-N 405.687 4.980 0 1 HJAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(-c3ccc4ccccc4c3)ccc1-2 209710995 QEOHXEJPDHZTJV-QHCPKHFHSA-N 424.500 4.844 0 1 HJAF COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(C)cc4)n3)c(=O)oc12 261096585 FMZVDIUMVFGXON-UHFFFAOYSA-N 407.451 4.878 0 1 HJAF Clc1cc(Cl)cc(N2CCN(c3noc(-c4ccc5[nH]ccc5c4)n3)CC2)c1 473152188 SOKNQLJYHXYXRB-UHFFFAOYSA-N 414.296 4.851 0 1 HJAF CC(C)CCOc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br 586889844 HNUAYLOHLORJPP-GOSISDBHSA-N 405.292 4.538 0 1 HJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cn1 587247775 SYNOSHXHHYFDNS-UHFFFAOYSA-N 409.234 4.650 0 1 HJAF O=C(O)c1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354749 RMSWYBULXOJJBL-RDGATRHJSA-N 418.420 4.820 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424344 NMBRFILXTGNSRK-YADARESESA-N 408.400 4.988 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Cl)cc3Cl)nn1)CC2=O 587459155 CKOLBMCKZPHKHQ-IBGZPJMESA-N 418.280 4.939 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(Cl)cc3)nn1)CC2=O 587463627 WIYRCJNRNHFHRA-JOCHJYFZSA-N 411.889 4.519 0 1 HJAF C=CN1CCCC[C@@H]([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514678 OHPBHHNFVORXIO-GJZUVCINSA-N 416.521 4.593 0 1 HJAF Cc1ccc([C@@]2(c3occc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579778 PQVSZAVHXFPNBS-PXDATVDWSA-N 413.429 4.781 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cccc(N)c12 587748706 XWQFFGCRKYOCMT-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C[C@H]2C)N1 587762825 UULAJUBJEVFAIJ-XCGNWRKASA-N 417.366 4.860 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587763103 HZEPFIDGOYOTLV-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587837118 ZLUQRKQOHYALJU-LRTDBIEQSA-N 420.322 4.937 0 1 HJAF CCOP(=O)(C[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC 587851346 VWQCGFVTNWCZLA-YVEFUNNKSA-N 422.275 4.994 0 1 HJAF CCC[C@]1([C@H](CC2CC2)C(=O)OCC)c2cccc(Br)c2CCN1C 963281209 QIGSXANZHQXXNA-WIYYLYMNSA-N 408.380 4.912 0 1 HJAF CC1(C)CC[C@]2(c3nc(Cl)cc4c3CCN2C4)c2[nH]c3ccc(C(=O)O)cc3c21 963469627 JYSNQMFDHBRPDT-QHCPKHFHSA-N 407.901 4.601 0 1 HJAF Cc1nc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O 1772597986 YDLLBWLUETVUTM-UHFFFAOYSA-N 402.538 4.865 0 1 HJAF Cc1cccc(-c2ccc(C(=O)N[C@@H](Cn3ccnc3)C(=O)c3ccccc3)cc2)c1 1857566528 IFVWJVYJQZHXRX-DEOSSOPVSA-N 409.489 4.540 0 1 HJAF C=CC(=O)N[C@H](/C=C/C(=O)OCC)Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1 1857585039 JEEAKPALVYNEKH-SQUSKLHYSA-N 418.320 4.993 0 1 HJAF CCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)CCC(C)=CC[C@H](O)C(C)=Cc1csc(C)n1 2356401686 MAZMBUSHGWINCC-PUEVPBCXSA-N 421.603 4.514 0 1 HJAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(Cl)c2F)o1 201462219 IRLNNHZYHSGFFW-UHFFFAOYSA-N 421.877 4.748 0 3 HJAF S=c1c2cc(I)ccc2nc(S)n1Cc1ccccc1 1660373 OQEBNEGZYGMUMR-UHFFFAOYSA-N 410.305 4.707 0 1 HJAF CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O 3962380 DOSZIFWFKFJGQL-NRFANRHFSA-N 423.406 4.508 0 1 HJAF Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3cccc(F)c3)ccc21 14958464 NJSGNDVHWHLURE-UHFFFAOYSA-N 404.470 4.802 0 1 HJAF CC(=O)O[C@@H]1O[C@H]2O[C@H](OC(C)=O)[C@H](CC/C=C(\C)CCC=C(C)C)[C@H]3CC[C@@H]1[C@@H]23 26026705 QXERFTWSGHVLIY-CCOSIPEZSA-N 420.546 4.883 0 1 HJAF COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCC3)c2ncccc2c1 28520797 AXPWFVKLNLJSQV-GCJKJVERSA-N 424.589 4.551 0 1 HJAF Nc1scc(CN2CCN(c3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 40865076 WBVSHKCZLDSJBP-UHFFFAOYSA-N 411.958 4.537 0 1 HJAF CN(C)C12C[C@H](c3ccccc3)C([C@H](NCCN3CCCC3)C1)[C@H](c1ccccc1)C2 64372989 LLSXDPCIBNMKAU-SWAVZTHASA-N 417.641 4.722 0 1 HJAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2ccc(C(F)(F)F)cc2)CO3)c1C 73162089 AOBDITMBAOPXPY-MRXNPFEDSA-N 423.435 4.881 0 1 HJAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N2CCC(C)CC2)c1 82146622 LBPDKRFJPLNAHY-BGYRXZFFSA-N 406.574 4.806 0 1 HJAF c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCc2ccccn2)cc1 82189991 RMAHCNKHSLJKSJ-UHFFFAOYSA-N 412.522 4.805 0 1 HJAF Cc1cc(N)nc(COc2ccccc2-c2ccccc2OCC2CCNCC2)c1 96282519 QEIUTDRDWHQLTJ-UHFFFAOYSA-N 403.526 4.597 0 1 HJAF CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1 169708800 NTHHXIKGFGHHJO-UAIPMZCESA-N 414.269 4.729 0 1 HJAF CC1=C[C@@H](C/C(C)=C/CC[C@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@@H]2C)OC1=O 211543533 QZBUJGPGJAQWIM-SCIPVZENSA-N 410.466 4.742 0 1 HJAF C[C@@H]1CC2=C(C1=O)[C@@H](c1ccc(C#N)cc1)NC(=O)N2c1cccc(C(F)(F)F)c1 218638548 XVAKYHYZPKKXPJ-CWTRNNRKSA-N 411.383 4.711 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020809 YKUNFEKSQIXISD-UHFFFAOYSA-N 407.495 4.679 0 1 HJAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(I)cc3[nH]2)cs1 587021602 PWVDAAHWWMFFBB-UHFFFAOYSA-N 406.252 4.595 0 1 HJAF CNc1cc(Cl)ccc1-c1nc2c(Br)cnc(Br)c2[nH]1 587066590 FBLWRKBOYMFCRS-UHFFFAOYSA-N 416.504 4.845 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2[nH]1 587073236 HUPTZUUKTDVUID-UHFFFAOYSA-N 405.889 4.550 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587334925 GCUQDZCYEPWYNP-ILBGXUMGSA-N 412.420 4.624 0 1 HJAF C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354701 RDOMWGPUKRHZEZ-CDRFNJAMSA-N 412.457 4.786 0 1 HJAF C/C(=C\[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587370104 BTDTVRYPQIESCE-KVDXNUTJSA-N 415.331 4.666 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587479521 UELKDQAVONBEFQ-WNSKOXEYSA-N 403.519 4.716 0 1 HJAF CC(=O)Oc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504332 RHRFSWQHVUKKHT-HXUWFJFHSA-N 415.283 4.960 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@](F)([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587508139 SEFRUMFSECDXSK-XZOQPEGZSA-N 403.494 4.638 0 1 HJAF Cc1cccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 587581526 LVBPMOSAHWAUOZ-DHLKQENFSA-N 412.445 4.763 0 1 HJAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595986 MLHYSCWWPOGPTJ-VWQFJMCTSA-N 412.482 4.872 0 1 HJAF O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622334 KSDGVMPCLSHXCG-UHFFFAOYSA-N 402.223 4.630 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2cccs2)n1 587660797 GIBXALILOXYSSQ-UHFFFAOYSA-N 400.438 4.710 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2Br)N1 587682563 ZSWVHCPOADKTPY-ZKANADHPSA-N 415.100 4.680 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587707733 WUOQJQAGYJYTBM-XYZCENFISA-N 408.702 4.821 0 1 HJAF COC(OC)c1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587716007 IJVYBLJRQUBCTD-YPMLDQLKSA-N 412.274 4.642 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccn(C)n3)c2)N1 587764109 NYXIPCOCZOIUIS-MPBGBICISA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cnccn3)c2)N1 587771823 DHXIFGDRNDNUQZ-FKIZINRSSA-N 414.278 4.794 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775616 SKGTYSOGOZMHPN-YUNKPMOVSA-N 412.306 4.977 0 1 HJAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798936 QFDAOWFMHGOESX-SPLOXXLWSA-N 420.322 4.546 0 1 HJAF COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830751 FPFQZYCOGBTBMT-LAJNKCICSA-N 420.322 4.936 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1Cc2ccccc2O1 587865845 LPNIVCFBVDJGOV-GOSISDBHSA-N 402.372 4.612 0 1 HJAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587936339 KQQQGNQUVMRXJN-HXPMCKFVSA-N 419.319 4.958 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12c1ccccc1C(=O)c1cc(C(=O)O)ccc12 963234327 VECHANWNAAODDM-SOKVYYICSA-N 411.501 4.878 0 1 HJAF CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21 963614683 YMIJECVYGUENSB-LRTDBIEQSA-N 420.347 4.879 0 1 HJAF C=CC(=O)Nc1cccc(Cl)c1Nc1ncc(OCc2cccc(OC)c2)cn1 1772635542 DTDNLKAYQVRIQH-UHFFFAOYSA-N 410.861 4.586 0 1 HJAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3cccc4c3[C@H](O)OC4)c2)cc1 1857550857 YSUQBGXBUMVSIU-RUZDIDTESA-N 401.462 4.649 0 1 HJAF COc1cc2c(cc1OC)-c1ccc3cc4c(cc3c1N(CCCN(C)C)C2)OCO4 1857644279 NPJDTDWZFLJNQT-UHFFFAOYSA-N 420.509 4.524 0 1 HJAF O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCN(C(=O)c3cccs3)C2)on1 61908288 JAIIUBVBRFLDEX-ZDUSSCGKSA-N 415.902 4.662 0 3 HJAF COc1cc(-c2cc(NC(C)=O)c3ncc(-c4ccccc4)n3c2)cc(OC)c1OC 61908900 NNJXQILFELEWKZ-UHFFFAOYSA-N 417.465 4.653 0 3 HJAF CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 2724761 XVDGCVQPPPSMBJ-HSZRJFAPSA-N 422.431 4.547 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F 4049532 BDYSUNLBKWDTPA-MJGOQNOKSA-N 419.294 4.596 0 1 HJAF COc1ccc2cc([C@H](O)[C@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl 22448450 ZCAQYJBALMKXDC-AVRWGWEMSA-N 424.972 4.742 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 26385907 WHWOXTLAMAZUQG-HRBBZDOWSA-N 400.607 4.894 0 1 HJAF COC(=O)c1cc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)ccc1O 36124583 VPIBAVZOWBKFRT-UHFFFAOYSA-N 412.463 4.779 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCc1ccccn1 82178094 ALRQRANGXJPYFL-IBGZPJMESA-N 414.557 4.878 0 1 HJAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 96172965 YCAUOGQWQZYKLK-MRXNPFEDSA-N 405.473 4.633 0 1 HJAF Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1 150071418 BRKURFKMANNMOY-OAHLLOKOSA-N 406.436 4.701 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccccc1)N1CCc3cc4c(cc3[C@H]1C2)OCO4 195177499 QAKRLRPPLBHIRD-NLFFAJNJSA-N 415.489 4.677 0 1 HJAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)ccn2)CC1 257935918 SXSVRFOIMBZCKK-KJOQGJGQSA-N 413.565 4.914 0 1 HJAF Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Cl)cc1)[C@@H]2C(=O)NC(C)(C)C 299829213 ZKJYIZYINGBMHB-QFIPXVFZSA-N 423.944 4.767 0 1 HJAF C[C@H]1CN(c2ncccn2)C[C@@H](C)N1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 299832443 LXJODPCGTFUTQX-CALCHBBNSA-N 406.917 4.536 0 1 HJAF CCCOc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br 586906269 AHNWVPYCGVNGLY-NSHDSACASA-N 403.276 4.695 0 1 HJAF CC(C)COc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br 586907747 JVDVJRUPOFBPRL-UHFFFAOYSA-N 415.287 4.999 0 1 HJAF CC(C)CCOc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br 587021725 KKEJHEFISHQMTD-JTQLQIEISA-N 410.337 4.927 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Cl)cnc2[nH]1 587231980 YOGXPWOEUFYPJG-UHFFFAOYSA-N 407.861 4.501 0 1 HJAF CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 587407398 IDTNWCYALJNYBN-BZQUYTCOSA-N 421.493 4.746 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)CC3CCCCC3)c1)O2 587410341 QWLIUPOUQWGNNA-JOCHJYFZSA-N 413.539 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Br)cnc3o1)CC2=O 587459766 PJURPTXKPINDDM-QGZVFWFLSA-N 402.244 4.955 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)CC2=O 587470992 PTTXJSCLAMUXAK-AUSIDOKSSA-N 403.519 4.906 0 1 HJAF COc1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1O 587499852 PSPKYAFSSYFQAS-SFHVURJKSA-N 403.272 4.749 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Br 587538428 DUVAIRWNDUJAGA-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(Cl)c1 587540650 BGCLWRXGRCYLEO-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(=O)C(F)(F)F)cc1 587543503 CKQFMQHBVXZNOU-FXAWDEMLSA-N 414.335 4.840 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(Br)cc12 587548372 TYWILYBHYLETLK-DENIHFKCSA-N 423.262 4.958 0 1 HJAF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1OC 587596368 OFRKWZYJTRAMNU-QPPBQGQZSA-N 406.434 4.811 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2N1CCCCCC1 587597601 VVFGFBLGNDHTQU-HWBMXIPRSA-N 407.510 4.911 0 1 HJAF COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587615767 HEWCXOJZIWDAJQ-SGIRGMQISA-N 418.445 4.653 0 1 HJAF COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(F)ccc13)/C(=C/Cl)N2 587632676 HERKZTSUMAHHBY-GIJQJNRQSA-N 401.825 4.743 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC 587695811 SDWJMWJRJZZBLW-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCNCC2)N1 587728662 BDBQVTCJLWPPSH-YEJXKQKISA-N 421.329 4.505 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587744664 SFJBQVOCUOOBRY-FKIZINRSSA-N 405.311 4.653 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](c3ncccc3O)C2)N1 587772808 OWWNPEMMWPNPKF-IZDJOXEWSA-N 405.311 4.776 0 1 HJAF COc1ccc(C=O)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 587787658 QAWDKQGPFKBFAS-UHFFFAOYSA-N 410.065 4.576 0 1 HJAF COc1cccc(-c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)on2)c1 587799480 ZOCORFBUQQBKHF-BIBXISHDSA-N 417.278 4.875 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1 587830283 DIGGNFJRKUMWFD-WLRWDXFRSA-N 406.295 4.857 0 1 HJAF CCc1ccc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837976 LWMRGGOTZKSOJN-GIPWTMENSA-N 416.290 4.881 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(C)c1 587865232 XVLIMMCQIBHPQP-UHFFFAOYSA-N 404.388 4.995 0 1 HJAF COc1ccc([C@@]2(CC(=O)C(F)(F)F)c3c(F)cccc3C[C@H]3CCCN32)cc1 963095624 DEINYCIMFZBARZ-IERDGZPVSA-N 407.407 4.620 0 1 HJAF COc1c2occc2c(OC)c2c(=O)c(C3=C[C@H](c4ccc(F)cc4)NO3)c(C)oc12 1772631616 AJIGCFPKVZIIGA-OAHLLOKOSA-N 423.396 4.621 0 1 HJAF CC1=CC[C@H](O)C(C)(C)[C@H]1Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 1857573536 TVIWYEOVRUMFAV-VJBMBRPKSA-N 408.494 4.700 0 1 HJAF O=C(Nc1ccc(F)cc1-c1ccc(Br)cc1)OCC1CCNCC1 1911571630 KKGVQDYTWPYXJH-UHFFFAOYSA-N 407.283 4.803 0 1 HJAF CC(C)=CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@H]12 2356674460 JGIOAWQQJOEUOP-CEUFCQFVSA-N 416.514 4.955 0 1 HJAF CC1(C)OC(=O)C2=C(C[C@@H](CCOCc3ccccc3)O[C@@H]2c2ccc(F)cc2)O1 95600709 LSYANEFHOKGHGL-DENIHFKCSA-N 412.457 4.826 0 3 HJAF CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 770058 YTLLVMLJCGRYJL-ZCYQVOJMSA-N 413.521 4.600 0 1 HJAF COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)c1OC 775185 IMQPRUOSWDLCAF-UHFFFAOYSA-N 422.412 4.688 0 1 HJAF COc1ccc2c(c1)c(CC(=O)Nc1ccncc1)c(C)n2Cc1ccc(F)cc1 13556587 YYXKQQOHFCINIV-UHFFFAOYSA-N 403.457 4.722 0 1 HJAF CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccc(F)cc3)ccc2O1 13795422 NAPUPAVLNYCMEC-UHFFFAOYSA-N 406.413 4.659 0 1 HJAF Clc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1Cl 21289902 LJNWACYTYAWEFK-UHFFFAOYSA-N 417.340 4.641 0 1 HJAF CCCCN(CCCC)C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 27555109 WBCZJKAHDHPSFY-FQEVSTJZSA-N 423.041 4.774 0 1 HJAF NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 28822110 CZLPVTHTAMFNKP-UHFFFAOYSA-N 423.782 4.852 0 1 HJAF CCN(C[C@@H](O)c1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35951291 AQQQQVJBCMSSHB-MRXNPFEDSA-N 407.354 4.559 0 1 HJAF COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@@](c2ccsc2)(Cc2ccccc21)O3 66166657 IXXBUDDQZMBLOG-OFNKIYASSA-N 404.443 4.771 0 1 HJAF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2NC(C)=O)cc(OC)c1OC 82150882 MPUIGRGISVRBNT-UHFFFAOYSA-N 420.465 4.590 0 1 HJAF CCOC(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C 95554576 BBNRASBPIGYVGU-BVAGGSTKSA-N 424.500 4.575 0 1 HJAF O=C(Nc1ccccc1OCc1cccc(F)c1)C1CCN(c2ccncc2)CC1 96285733 SDJVTYHWLSIPLH-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 115455074 ZRWOCTWXOIJUFJ-IAGOWNOFSA-N 411.912 4.840 0 1 HJAF CCc1cccc(-n2c(O)cn(C3CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)c2=O)c1 169720352 LPUFYJDSCMHTTJ-REWPJTCUSA-N 421.585 4.536 0 1 HJAF Clc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 203006234 SVQWBDLWLCVBBG-UHFFFAOYSA-N 405.687 4.980 0 1 HJAF COc1ccc(COC(=O)C2=C(C3CCCCC3)NC(=O)N[C@H]2c2ccccc2)cc1 205384225 JFVHEPRLCSZMHU-QFIPXVFZSA-N 420.509 4.627 0 1 HJAF CCO[C@@H]1c2c(OC)c(OC)cc(OC)c2-c2ccc3cc4c(cc3c2N1C)OCO4 238733554 LAOZQGDLCLVXDY-XMMPIXPASA-N 423.465 4.746 0 1 HJAF CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3C[C@H](OC(C)=O)[C@H]2C1 255204672 CWYIAIKRFWEBHR-AXRVDQBZSA-N 416.558 4.628 0 1 HJAF COc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)ccc1Br 586975841 GJUHQGKJXLSYRF-HYXAFXHYSA-N 409.081 4.662 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(OC)c3[nH]2)c1 587050584 PMHCDDBZHVEVDL-ZHACJKMWSA-N 412.877 4.615 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587109778 UPLADKNFVXVHRE-UHFFFAOYSA-N 421.119 4.988 0 1 HJAF CCOc1cc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1OC(F)F 587131396 ZTJNXOIRISQTKJ-POHAHGRESA-N 417.456 4.674 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3c2)cc1N 587134527 MLORHTKSKHCTGU-UHFFFAOYSA-N 404.392 4.906 0 1 HJAF Cc1c(Br)cnc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc12 587206895 YTLBPBIZAHIAGA-LBPRGKRZSA-N 411.344 4.511 0 1 HJAF C[C@H](CCCCC(=O)O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351333 JMSKIWLQANRTAB-NZCIYTFRSA-N 400.446 4.930 0 1 HJAF COC(=O)c1cccc(-c2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587400335 QRPCMVWDBZAKTO-RUZDIDTESA-N 401.462 4.911 0 1 HJAF COc1ccc(C2=COc3cc(O)ccc3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587410600 YQKYLEGSWGGRIY-VWLOTQADSA-N 415.445 4.586 0 1 HJAF O=C1C[C@]2(CCN(C(=O)OCc3ccccc3)C[C@@H]2F)Oc2c1ccc1c2CCCC1 587510918 ZBPBNHSHYWNXNH-DHLKQENFSA-N 423.484 4.650 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2cnccn2)c1 587589342 UUIHNMKTNNWVTO-XUZZJYLKSA-N 412.401 4.677 0 1 HJAF CCN(CC)c1ccc(-c2nn(Cc3ccccc3C)c(=O)c3ccccc23)c(O)c1 587664832 JTEFCPGZYSOVCR-UHFFFAOYSA-N 413.521 4.972 0 1 HJAF 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405.505 4.731 0 1 HJAF COc1cccc([C@]2(c3ccc(OC(C)=O)cc3)NCCc3c2sc(C)c3C)c1 963022712 KLPYDBYNNMROBY-DEOSSOPVSA-N 407.535 4.736 0 1 HJAF CC1=C[C@@H](c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)[C@H](C(C)(C)O)CC1 2356394507 CBHRGXJCSVCIOR-QFBILLFUSA-N 422.477 4.788 0 1 HJAF CC(=CC(=O)O)CCC=CC=C[C@@H](C)CC[C@H](O)CCCC(=O)c1csc(O)n1 2356462808 FZDDIXDEVGJIDX-SJLPKXTDSA-N 421.559 4.902 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@H]4COC(=O)C4)[C@@]3(C)CC[C@H]21 2356506879 LZEIPUNOEUQFEG-AIUGWDJSSA-N 414.586 4.695 0 1 HJAF Cc1cccnc1[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 61902430 KVISOQZKVVOXTC-RUZDIDTESA-N 417.528 4.647 0 3 HJAF OCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1 13610341 UVGSGGRQOUHBMK-UHFFFAOYSA-N 412.493 4.617 0 1 HJAF CC(C)(C)C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 28822921 ZQBFRRFJUROTFV-UHFFFAOYSA-N 401.554 4.886 0 1 HJAF O=C(Nc1ccccn1)c1c(C(F)(F)F)nc2c(C(F)(F)F)cccc2c1O 29235190 QSLWGQTURVFWBB-UHFFFAOYSA-N 401.266 4.625 0 1 HJAF 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412.570 4.673 0 1 HJAF CN(C(=O)c1c(O)c2cc(Sc3ccccc3)ccc2n(C)c1=O)c1ccccc1 101347034 ZLXPEPZKTBLEJV-UHFFFAOYSA-N 416.502 4.672 0 1 HJAF CCOC(=O)/N=c1/sc(C)c(Br)n1-c1cccc(C(F)(F)F)c1 103272210 PCBKROMVFACOOT-XDHOZWIPSA-N 409.227 4.686 0 1 HJAF NC[C@@H](F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 169327211 VKFCGHMVOYNDAB-LLVKDONJSA-N 400.089 4.616 0 1 HJAF Cc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 220958414 WRRRUTZYQAQDCB-KRWDZBQOSA-N 413.481 4.778 0 1 HJAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(C(F)(F)F)n3)c2F)cn1 224586867 WASDGIKYNLGKHG-UHFFFAOYSA-N 405.355 4.734 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 299880034 LQKVZUIWEOGLPX-VCBZYWHSSA-N 411.506 4.571 0 1 HJAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587091318 DFVZCYGTCRCCJX-SNVBAGLBSA-N 404.417 4.969 0 1 HJAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3c2)cc1 587176177 GONLLQJIVPXZHV-UHFFFAOYSA-N 402.385 4.824 0 1 HJAF COc1ccc(OC)c2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354036 SVHDHRFTAHXABF-WIOPSUGQSA-N 420.436 4.749 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C=O)c1 587401892 ZFMGNJRIVNUZSQ-DEOSSOPVSA-N 417.461 4.684 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc(-c4cc(C)c(OC)c(C)c4)cs1)[C@@H](C2)C3=O 587451375 NXPZUVLMQJENNO-AOMKIAJQSA-N 407.491 4.933 0 1 HJAF Cn1cc([C@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587505626 PMPAQPRFRRJSJZ-VWLOTQADSA-N 403.453 4.765 0 1 HJAF Cc1cc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c2ccccc2n1 587553635 CUURXNUXLPYERU-UHFFFAOYSA-N 410.433 4.539 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cn1 587567907 FQWRAXJIMDTGDK-RCZVLFRGSA-N 413.404 4.832 0 1 HJAF CCOc1cc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587593487 DTORFOZMGGCMIJ-DHLKQENFSA-N 420.461 4.850 0 1 HJAF Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587657840 APYVGTOYHWAKAE-QGZVFWFLSA-N 416.452 4.927 0 1 HJAF CSc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587658965 XABPHFDTSULGNA-UHFFFAOYSA-N 408.429 4.752 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccccc2F)N1 587727288 NKKUBEIAWYPAJB-APBUJDDRSA-N 404.258 4.741 0 1 HJAF CCn1c(=O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21 587771431 SRHNCYNTNUQESZ-MPBGBICISA-N 415.306 4.547 0 1 HJAF Nc1c(Br)cccc1-n1c(O)cc(-c2ccc(Br)cc2)c1O 587936351 SEIVSJHHLKBHOQ-UHFFFAOYSA-N 424.092 4.663 0 1 HJAF COC(=O)c1ccc2c(c1)[C@@]1(CCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962703462 MLETXTYNUOGJLR-MHECFPHRSA-N 411.542 4.556 0 1 HJAF NC(=O)N1CCc2sccc2[C@@]1(c1ccc(Cl)c(Cl)c1)c1ccccn1 962705788 GSXPXFZWYFJIPA-IBGZPJMESA-N 404.322 4.679 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1c(Cl)ccc2nccn12 962951725 IPRSTBDBNQLSNI-GOSISDBHSA-N 421.850 4.747 0 1 HJAF COc1cc(OC)cc([C@]2(c3cccc(C)n3)c3c(F)cccc3C[C@H]3CCCN32)c1 963110244 QTSFERKBXXJLFR-IBVKSMDESA-N 418.512 4.859 0 1 HJAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2cc(F)ccc12 1857637204 PDCMXEQQVAUFIY-UHFFFAOYSA-N 424.435 4.741 0 1 HJAF O=c1c2cc(F)ccc2nc(CNCc2ccccc2F)n1-c1ccccc1Cl 13862782 MEEMIPFAQCGZFR-UHFFFAOYSA-N 411.839 4.607 0 1 HJAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CC[C@H](C)C3)cc2)c1 27527147 RBEROMJIQJWAOZ-FPTDNZKUSA-N 401.890 4.852 0 1 HJAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC[C@H]2OC(=O)NC2=O)cc1 29312005 NDCPKMTXBSQQIX-OAQYLSRUSA-N 420.465 4.577 0 1 HJAF C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl 40835332 PWTDZYJFBSXIIK-LLVKDONJSA-N 402.942 4.883 0 1 HJAF CCCN(CCC)C(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 45290090 JMXZYVMVPNAQRX-UHFFFAOYSA-N 403.910 4.738 0 1 HJAF COc1cccc(OC)c1/C=C/c1cc(Br)c(N)c(Br)c1 58649614 HGWBUXCGPMRHAS-VOTSOKGWSA-N 413.109 4.981 0 1 HJAF in-vitro CCCn1c(CN2C(=O)COc3c(C)cc(C)cc32)nnc1[C@@H]1C[C@H]1c1ccccc1 71340829 YYWJQGMKDLNXHG-VQTJNVASSA-N 416.525 4.502 0 1 HJAF CC(=O)O[C@H](CC/C(C)=C/[C@@H](O)C/C(C)=C/CCc1ccoc1)[C@]1(C)CCC(=O)O1 72179216 QBMTWQFCLDXOKN-PRBWFTGVSA-N 418.530 4.663 0 1 HJAF CC[C@@H](Sc1ccc(-c2ccccc2)nn1)C(=O)N(c1nc(C)cs1)C1CC1 84669831 HLIHCXUJNRXKDK-GOSISDBHSA-N 410.568 4.975 0 1 HJAF O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)ccc21 96905529 JSNKWLLGLZMCNC-IBGZPJMESA-N 418.324 4.675 0 1 HJAF O[C@H](Cc1ccc(Br)cc1)CN1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2 100799596 IYFITMLPVWGURC-YPAWHYETSA-N 400.360 4.763 0 1 HJAF CCOC(=O)C(C)(C)Oc1ccc(N(CCC(C)C)C(=O)Nc2nccs2)cc1 103243966 BQBCDKYGHQMROD-UHFFFAOYSA-N 419.547 4.948 0 1 HJAF CO[C@H](/C=C/CCCCCC=C(Br)Br)[C@@H]1CCC(=O)O1 198355159 BIIOETBIMPWOIM-DZTBXEGKSA-N 410.146 4.845 0 1 HJAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccoc3)cc2)C2CC2)CC1 223648979 GAEAUULCXHXODM-UHFFFAOYSA-N 410.514 4.951 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncc(Cl)c3[nH]1)N2 587030416 DRVWLJGLZHJZFX-TXEUWIOXSA-N 405.936 4.738 0 1 HJAF Clc1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587042649 VCSIAENDZXLDBZ-GJZGRUSLSA-N 408.752 4.925 0 1 HJAF Fc1c(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1F 587042942 WERBRKQGYFGNLA-STQMWFEESA-N 410.287 4.550 0 1 HJAF Cc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br 587060816 NBTDITPUOAQQKT-UHFFFAOYSA-N 414.694 4.993 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131336 FTFYUGAEDFXSMO-UHFFFAOYSA-N 419.497 4.523 0 1 HJAF Fc1cncc(Cl)c1Cc1nc2cc(Br)c(Br)cc2[nH]1 587176396 RXUAPLGGKMFOCK-UHFFFAOYSA-N 419.479 4.866 0 1 HJAF O=C(O)[C@@H]1C[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352094 LSVNEBYHPHKWOS-AWZJCTCXSA-N 418.420 4.506 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4sccn14)[C@@H](C2)C3=O 587429952 XYSKMZHMBSAWFN-BTYIYWSLSA-N 406.438 4.699 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CC2=O 587488592 QHJDWZZYYCSZMO-WNHYQHMGSA-N 401.503 4.611 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(O)c1 587541137 TWQUZEKTUGZTMI-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF CCOc1ccc(-c2nn(-c3nc(C)cs3)c(=O)c3ccccc23)cc1OCC 587669223 BPMXJXNBMOOALT-UHFFFAOYSA-N 407.495 4.615 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC(F)F)c2)N1 587722723 ZNECVHQENMRGOL-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF COc1c(F)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722919 UKWDXPWLRNOPSZ-YYSFKGJASA-N 400.238 4.673 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@@H]2CCCNC2)N1 587800093 ZXHSPESLORVCGX-LDJQZATESA-N 417.366 4.560 0 1 HJAF COC(=O)C[C@]1([C@H](C)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805522 HHIOCTOOOOLISO-PXIJXODZSA-N 420.322 4.685 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848941 QBSPALSCVHOGCO-YPMLDQLKSA-N 412.324 4.601 0 1 HJAF COc1ccc(C2=Nn3c(nnc3[C@@H](C)c3ccc(CC(C)C)cc3)SC2)cc1 653709732 WOTKFVIQXYSGDB-INIZCTEOSA-N 406.555 4.995 0 1 HJAF CCn1ncc([C@]2(C(C)C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1C 962951990 JOLNJVADNPXHSN-QFIPXVFZSA-N 421.507 4.781 0 1 HJAF Nc1ccccc1-c1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962964938 KCVIIUJEGGSUIO-GHTZIAJQSA-N 414.839 4.556 0 1 HJAF COc1cccc(OC)c1[C@@]1(c2ccnc(C)c2)c2c(F)cccc2C[C@H]2CCCN21 963113664 ZEFQDBLRIPSWNK-FQRUVTKNSA-N 418.512 4.859 0 1 HJAF CCCc1[nH]nc2c1[C@@H](c1ccc(N(C)C)cc1)c1c(nc3c(c1N)CCCC3)O2 1772633781 ZPIOLROBCBZJGO-LJQANCHMSA-N 403.530 4.570 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@@]2(COC(C)=O)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]12 2356527847 JBMZWHIPLKEEMI-SJSRKZJXSA-N 402.531 4.813 0 1 HJAF CC(=O)O[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@H](C(C)=O)CC[C@H]23)[C@@]2(C)CC[C@@H](OC(C)=O)C[C@H]12 2356618694 CWYIAIKRFWEBHR-USSSAQHVSA-N 416.558 4.628 0 1 HJAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12 13454318 PUWFNZHXXZYRIS-UHFFFAOYSA-N 421.537 4.856 0 1 HJAF Cc1c(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)cccc1N(C)C 13474042 FJNHBDWPDJOEEE-UHFFFAOYSA-N 412.440 4.911 0 1 HJAF CN1C[C@@H](CCN(Cc2ccccc2)Cc2ccccc2)Oc2ncccc2C1=S 26281565 FHTLTVMHAMUUGG-JOCHJYFZSA-N 417.578 4.542 0 1 HJAF O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 40394969 KHFJJBRNDPTLAZ-UHFFFAOYSA-N 422.488 4.874 0 1 HJAF COC(=O)c1ccc2c(c1)nc(-c1cccc(OC)c1)n2CCc1ccc(OC)cc1 43064495 UWDBFDMFMZEUMP-UHFFFAOYSA-N 416.477 4.750 0 1 HJAF COc1cc(COc2ccc(C(=O)C3CC3)cc2)ccc1OCCN1CCCCC1 66258366 QHAXAOKJDQLOQS-UHFFFAOYSA-N 409.526 4.732 0 1 HJAF Cc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 82158173 XKZFKWOFWQUFFE-IZZDOVSWSA-N 400.301 4.928 0 1 HJAF COc1cccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C)CC2)c1 137690272 SBFMEVGASWWZIV-UHFFFAOYSA-N 410.539 4.621 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)CCO3)n1 142033116 ZZWCDXPWHHUVLK-MRXNPFEDSA-N 411.509 4.961 0 1 HJAF CN1CC(C)(C)c2ccc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)cc21 147928434 WCUXNKOOMQWXAI-UHFFFAOYSA-N 420.948 4.559 0 1 HJAF CCc1c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)n[nH]c1F 219066999 KMHCMJXNPYNIPV-UHFFFAOYSA-N 402.473 4.506 0 1 HJAF O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1cnc(-c2ccccc2)c1 299835124 LSVCDWRFSZVKSR-UHFFFAOYSA-N 422.532 4.925 0 1 HJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587050901 SCFAGKFVHWUSER-UHFFFAOYSA-N 404.726 4.891 0 1 HJAF O=c1cccc(-c2nc3c(ccc4ncccc43)[nH]2)n1CCOc1ccccc1Cl 587063992 IBBWVKUIVKZGKO-UHFFFAOYSA-N 416.868 4.672 0 1 HJAF Cc1nn(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)c(C)c1Cl 587065200 MAGQFDFKABFEEV-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF O=S(=O)(c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1)C(F)(F)F 587084969 LOJDMZFDXDJAIJ-UHFFFAOYSA-N 411.792 4.725 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587198452 KXYISPKKKPGHLG-UHFFFAOYSA-N 412.280 4.791 0 1 HJAF C[C@@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344623 HKAINWGGHPLFOB-OFNKIYASSA-N 405.381 4.652 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C)n1-c1ccc(Br)cc1)O2 587370502 FMOPGIDKEVAHKU-LJQANCHMSA-N 412.287 4.540 0 1 HJAF Cc1nc2sccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376913 YUWQUKPSUWYWGF-PGRDOPGGSA-N 408.454 4.823 0 1 HJAF COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)ccc1Cl 587377814 ZLYGGMIQSGQAFO-HXUWFJFHSA-N 411.841 4.984 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@H](C)C[C@@H](C)C1)O2 587396458 SJWGGYJBAZOMFS-QZTZHPFYSA-N 408.542 4.640 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cc(C=O)n(C)c1)(c1ccccc1F)CC2=O 587465135 BDVBWWONUDFWPU-XMMPIXPASA-N 407.441 4.544 0 1 HJAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O 587476566 PZPDKEINHZBRKW-MBSDFSHPSA-N 423.509 4.727 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nc3ccccc3c1C(=O)O)CC2=O 587488750 JJCLNEHCKDFKKK-XMMPIXPASA-N 405.450 4.780 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(CC2CCCCC2)n1 587580498 IIQBDNXYFWGBJE-ZJSXRUAMSA-N 404.466 4.872 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OCC2CC2)c1 587592155 IGAQLUVTKQPFEJ-URXFXBBRSA-N 404.418 4.590 0 1 HJAF CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587699617 LDAZUWIQBSFOOX-JEOXALJRSA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711530 KWUNYWXGMSSHAI-ZKANADHPSA-N 404.201 4.936 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCNCC2)N1 587730297 FCMYFNUUAUZVFM-ZSEKCTLFSA-N 421.329 4.505 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cnccn3)c2)N1 587774935 OJUKJJQAPZOYGE-ODXCJYRJSA-N 414.278 4.794 0 1 HJAF CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587794849 HKGXBXMNXZBSKP-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836380 TZVWRIMCKGWYFB-YUNKPMOVSA-N 406.295 4.547 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccccc1F 587864189 DLSOZZLWZLKCHB-UHFFFAOYSA-N 407.367 4.859 0 1 HJAF COc1ccc2c(c1)[C@@](c1ccccc1)([C@H](C)C(=O)C(F)(F)F)N(C(C)C)CC2 962095449 YTCSMNANXOJXSW-ZHRRBRCNSA-N 405.460 4.973 0 1 HJAF CCOc1cc([C@@H]2N[C@@H]3CC[C@@H]3c3ccc(OC)cc32)c(Br)cc1OC 962995053 MCAJFNMHNIASGG-CFCCAZDESA-N 418.331 4.804 0 1 HJAF CCOc1cc([C@H]2NCCc3cccc(Cl)c32)cc(Br)c1OC(C)=O 963390220 HANAKTNSDDKTPS-GOSISDBHSA-N 424.722 4.662 0 1 HJAF OCc1ccc(-c2ccc(-c3cc(NCc4cccnc4)n4nccc4n3)cc2)cc1 1772616089 RODZNGYLSLUAMI-UHFFFAOYSA-N 407.477 4.563 0 1 HJAF O=C(Nc1cccc(Br)c1O)c1cc2ccc(Br)cc2[nH]1 1772654830 XXRWMJLOXKLRHG-UHFFFAOYSA-N 410.065 4.651 0 1 HJAF CC1=CC(=O)O[C@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2CC[C@@]1(C)O 1911576768 KHIDSVXJRBGIHK-GBJVHUBXSA-N 404.591 4.941 0 1 HJAF 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C[C@]12CC[C@H](O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13 2356336370 LZBMDSMLVLGIEW-VKDSEWPMSA-N 412.570 4.673 0 1 HJAF CC(C)CC[C@@H]1C[C@H](CC2=CN[C@H](N)C=C2)C[C@@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356819284 FAVAMZXALSTDNV-MWXPVEBLSA-N 415.666 4.848 0 1 HJAF O=C(NCc1ccncc1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61903621 KWGKMNDBIGLGKX-DEOSSOPVSA-N 423.472 4.556 0 3 HJAF CN(CCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1)c1ccccc1 2482376 JMLDQYPIGILQJS-UHFFFAOYSA-N 419.456 4.997 0 1 HJAF O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1Cc1ccco1 4172291 XGZMPBYVTSBLSM-RRJCBXKSSA-N 407.469 4.699 0 1 HJAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)s1 13739752 RRNJUVTWVGPDDH-UHFFFAOYSA-N 404.919 4.846 0 1 HJAF COc1cccc(CN2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1OC 20449891 CMHYIGGSTOLLKE-IBGZPJMESA-N 421.516 4.988 0 1 HJAF NC(=O)Cc1cn(CCCOc2ccccc2)c2ccc(-c3cccc(F)c3)cc12 28888205 JEFBQYOHELFIFM-UHFFFAOYSA-N 402.469 4.944 0 1 HJAF 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0 1 HJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 586906304 BABGWMMLMWOELG-MRVPVSSYSA-N 424.092 4.669 0 1 HJAF O=C1c2ccccc2-c2c(Cc3cncc(Br)c3)cnc3ccc(O)c1c23 586985040 FFQPLYMFCSEGPU-UHFFFAOYSA-N 417.262 4.900 0 1 HJAF Clc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2nc1Cl 586998607 LYEOHLCGDMGWEI-OWOJBTEDSA-N 413.058 4.926 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(F)cc3[nH]2)c1 587049710 UMTXKZNMXMIIQW-UHFFFAOYSA-N 402.857 4.665 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 587064381 AEHVGUPAVFEYCZ-UHFFFAOYSA-N 400.740 4.515 0 1 HJAF FC(F)(F)Sc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184653 KTWCMVPIALUVON-UHFFFAOYSA-N 421.185 4.841 0 1 HJAF Cc1ccc(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350029 HDZGGZNCMKNIQE-ZJSXRUAMSA-N 406.409 4.812 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587418550 BZGNYOHSSNEQFI-UUOWRZLLSA-N 420.848 4.769 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587486150 SRPOAWMJARREFS-XMMPIXPASA-N 405.450 4.588 0 1 HJAF O=C(O)CCC1=COc2cc(F)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504127 FWBHMMNRKZRMJW-XMMPIXPASA-N 408.425 4.706 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1Cl 587541909 GSTYFELJRIBOPI-UWJYYQICSA-N 412.825 4.766 0 1 HJAF CCn1nc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587583746 XITDICUGYJHAKC-FYYLOGMGSA-N 414.461 4.725 0 1 HJAF COc1ccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)no2)cc1 587586575 KSDLRNRONOBMGS-URXFXBBRSA-N 415.401 4.759 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cncc2Br)N1 587735928 VSYQAVRHMVFXJI-MLXNANBUSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(N)cccc12 587742525 ALNDWNIASDYVOU-VERVWZFWSA-N 409.302 4.977 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(c2ccccc2)N1 587815871 QVXWWLFJXMYJPP-ASSNKEHSSA-N 402.307 4.735 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(F)cc1 587865197 WUXCTNIFCJISBF-UHFFFAOYSA-N 408.351 4.826 0 1 HJAF O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2noc3cc(Cl)ccc23)CC1 653709122 JNVVCEHCXUDPRL-UHFFFAOYSA-N 422.916 4.634 0 1 HJAF C[S@@](=O)c1ccc([C@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801616 NCWGRILWBTWFKG-CCLHPLFOSA-N 401.963 4.965 0 1 HJAF CC(=O)c1ccc2c(c1)[C@H]([C@H]1CC=CC[C@@H]1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635088 TXYVYMPMVPDUEM-XNKDMPNBSA-N 413.514 4.779 0 1 HJAF COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1 1772618882 JZMJEIJWBRTMLR-UHFFFAOYSA-N 418.375 4.964 0 1 HJAF CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3cccc(OC)c3)n2)cc1 1772652346 JYJXKFPVGIPYGK-UHFFFAOYSA-N 413.481 4.543 0 1 HJAF CC(C)OCCCNC(=O)c1csc(=Nc2cc(Cl)c(Cl)c(Cl)c2)[nH]1 1857599131 RDWYVYMAJYVETJ-UHFFFAOYSA-N 422.765 4.814 0 1 HJAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2)cc1 1857638089 GKQVMMKXPPAKMY-UHFFFAOYSA-N 418.468 4.737 0 1 HJAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4cccs4)nc3[C@H](C)[C@@H]21 2356464422 JLZNMYYUCJBSSU-TVFHLIPMSA-N 416.568 4.711 0 1 HJAF CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 2469340 WKZMZTZKLRPCBR-DHIUTWEWSA-N 403.526 4.727 0 1 HJAF O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1cccc(Cl)c1 6575939 MKWUFBKGEROMDT-UHFFFAOYSA-N 406.898 4.657 0 1 HJAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nc(CCCO)cs1 27517786 QWHJKWMNNCFZSP-UHFFFAOYSA-N 413.343 4.750 0 1 HJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 27557634 IMOYQSALPFSZJN-BJYMLMSUSA-N 402.506 4.985 0 1 HJAF CN(C)c1ccc(NC(=S)NCCCNc2ccnc3cc(Cl)ccc23)cc1 40892770 GUKLVWMKPLWYPY-UHFFFAOYSA-N 413.978 4.743 0 1 HJAF Cc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3Cl)CC2)cn1 43014161 MWKQIVHDUROMIG-UHFFFAOYSA-N 400.935 4.608 0 1 HJAF CC(C)N(C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)C(C)C 43123520 REOBNFLADWQZGO-UHFFFAOYSA-N 404.554 4.892 0 1 HJAF O=C1OCC(Nc2ccc(Br)cc2)=C1c1ccc(Br)cc1 72117135 ASGCVSHPRBZZCF-UHFFFAOYSA-N 409.077 4.592 0 1 HJAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 82143070 YKCWTOZAEKRHQB-KDURUIRLSA-N 412.578 4.973 0 1 HJAF CCOC(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C 95554578 BBNRASBPIGYVGU-ZEQKJWHPSA-N 424.500 4.575 0 1 HJAF Cc1nn2c(NO)cc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C 95584267 RGRGFOKXCYDEAE-UHFFFAOYSA-N 420.435 4.651 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@H](C)[C@@H]1C 95913854 RNIZTMIJCBCDBR-XIVNJKIFSA-N 414.454 4.515 0 1 HJAF biogenic,in-vitro O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](Oc2cc(F)cc(F)c2)CC1 101110379 CHXBPRRBJHZMOP-PRYKJBOPSA-N 404.501 4.923 0 1 HJAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1 101505826 KXXWXEBOCLSFEB-IZAXUBKRSA-N 412.496 4.634 0 1 HJAF O=C(Nc1ccc(-n2c(O)cc(-c3ccccc3)c2O)c(Cl)c1)c1ccccn1 169689262 OCVJQOGGFDUYFY-UHFFFAOYSA-N 405.841 4.856 0 1 HJAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2ccc(C#N)cc2)C1 299885885 WFYFZLMSYMZSGX-KZNAEPCWSA-N 405.546 4.876 0 1 HJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586909126 VSOSBOQJFCMNHN-MRVPVSSYSA-N 413.193 4.925 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Sc4ncccn4)[nH]c3c2)cc1 586963304 GWZUVDPITWMUNW-ZDUSSCGKSA-N 406.467 4.785 0 1 HJAF CCOC(=O)c1cnn(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1C(F)(F)F 587114814 IWJFQWVQNXPLRT-UHFFFAOYSA-N 400.360 4.611 0 1 HJAF C[C@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334369 MBYRCAFPSPICIC-REWPJTCUSA-N 406.388 4.821 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5ccccc5F)sc41)[C@@H](C2)C3=O 587426762 PPXFLMFBVBONFD-WNSKOXEYSA-N 407.466 4.937 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1NCc1ccccc1)CC2=O 587460114 GIFUGRNYUPQUSR-LJQANCHMSA-N 423.900 5.107 0 1 HJAF Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587557467 RXUOZNVVLZKVCN-LRDDRELGSA-N 424.762 4.501 0 1 HJAF O=C(O)CCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569348 HRIYRAOKPYYHLS-QPPBQGQZSA-N 422.408 4.643 0 1 HJAF Cc1nc2scc(C3CC3)n2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620112 XIKXLCMMCBNGGV-AVRDEDQJSA-N 418.474 4.990 0 1 HJAF Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655809 FRWOFINLEHTAHR-HNNXBMFYSA-N 420.415 4.758 0 1 HJAF Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1 587754833 NBNVDYIGKNTMAY-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587771676 CHTOYQPWSJNNFD-ODXCJYRJSA-N 412.306 4.977 0 1 HJAF COCCCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791900 JMXKFUZRZYGQRV-RNODOKPDSA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3sccn23)N1 587857957 WLPXMFAWEZKUPW-BCTVWOGZSA-N 414.731 4.749 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc2c(c1)OCO2 587864239 HYVQIQWEFURJKM-UHFFFAOYSA-N 418.371 4.579 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)cc1 587924171 JQYMCJUZONBFQL-UHFFFAOYSA-N 400.525 4.780 0 1 HJAF COc1ccc2c(c1)[C@](CCCCC(=O)O)(c1cc(F)cc(F)c1)N[C@@H]1CC[C@H]21 962998946 XGQCWXJVWNCEAB-LSWJPFSZSA-N 401.453 4.711 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1ccc(OCCN)cc1 963221823 AVCGTYOINXSMSJ-ZBLYBZFDSA-N 400.566 4.973 0 1 HJAF CN(C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)NCCCN)cc1 1772576249 AEBQSZIQALSRKZ-UHFFFAOYSA-N 423.601 4.637 0 1 HJAF CCc1sc2ncnc(N[C@@H](C(=O)O)c3ccccc3)c2c1-c1cccc(O)c1 1857555717 MCPILVZLIYPWER-LJQANCHMSA-N 405.479 4.864 0 1 HJAF COc1cccc(CNc2nc3cc(-c4ccc(OC)cc4C)sc3c(=O)n2C)c1 61906473 DCAOIVNPHLKJAQ-UHFFFAOYSA-N 421.522 4.600 0 3 HJAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 4048928 ODSYCIAFDKOWMO-UKILVPOCSA-N 419.569 4.504 0 1 HJAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc(OCC)c1 4207475 JAQCSGRTIFIMLJ-FPOVZHCZSA-N 400.906 4.747 0 1 HJAF C/C(=C\CC[C@]1(C)OC(=O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H]1C)Cc1cc(C)co1 13481717 IVRBZHGZUKMJJC-GYKCQADHSA-N 412.482 4.719 0 1 HJAF c1ccc(CN2CCC(CCNc3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1 13863641 ZVIMHANRZCIDGP-UHFFFAOYSA-N 416.525 4.587 0 1 HJAF Cc1cnc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)s1 29126104 ALYPRYHQWDBIGH-UHFFFAOYSA-N 409.898 4.929 0 1 HJAF O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccccc1Br 29476921 MYXRGDNTWDRXEF-OUKQBFOZSA-N 404.267 4.714 0 1 HJAF O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccccc2Cl)N1c1ccccc1 82158505 DFXYLQSUWZHWML-DEOSSOPVSA-N 413.908 4.775 0 1 HJAF CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3cccs3)ncnc21 82190062 PEGLMXVBJRRWGX-CQSZACIVSA-N 423.542 4.927 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3cccs3)ncnc21 82222807 UYLGZARGITUNRJ-MRXNPFEDSA-N 424.599 4.713 0 1 HJAF OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@@H]2c2cccc(Br)c2)CCC1 100616437 KFKULNKNFDKXDF-QGZVFWFLSA-N 411.259 4.972 0 1 HJAF COc1cccc(Cn2nc(-c3ccccc3)c(Cc3ccc4c(c3)OCO4)c2O)c1 100858207 HLDSQBUYZWFPAZ-UHFFFAOYSA-N 414.461 4.632 0 1 HJAF CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc1OC 103539626 YIEWTXMWVKHZJM-HSZRJFAPSA-N 424.541 4.915 0 1 HJAF CC1=Nc2ncnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)OC1CCCCC1 104115869 YCLPVIKEISYMFO-GROYHEBESA-N 417.307 4.855 0 1 HJAF Cc1cc(C)cc(C(=O)NC(=S)Nc2c(O)cc(C)c(Br)c2C)c1 113641487 DTVBXJJHLVRONP-UHFFFAOYSA-N 407.333 4.515 0 1 HJAF Clc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1Cl 200615545 PWIZHPGOYBXAQR-UHFFFAOYSA-N 407.264 4.632 0 1 HJAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)s4)cc3=O)cc21 224386424 RPFBZAHRSRZYGF-UHFFFAOYSA-N 411.914 4.896 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261109801 HWBHNCKNXGKGOR-NLFFAJNJSA-N 420.516 4.648 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cccc(CO)c3)[nH]c12 586894663 AMZVUFOOWDOMIB-UHFFFAOYSA-N 411.383 4.993 0 1 HJAF CC(C)Oc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br 586907039 JKRJYCCAURAGOC-LLVKDONJSA-N 403.276 4.693 0 1 HJAF C[C@@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586963403 MVYCPFCIJMMWIH-LLVKDONJSA-N 400.447 4.851 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587028281 OYKRKAZNGDXNEK-UHFFFAOYSA-N 414.284 4.903 0 1 HJAF COC(=O)c1ccnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587039846 FQLXDUPAOOCKTH-UHFFFAOYSA-N 402.479 4.590 0 1 HJAF O=C(O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587119848 ILPFWKVLMXOKOM-UHFFFAOYSA-N 423.354 4.657 0 1 HJAF O=C1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F 587147830 BSSNYXUALHQAKF-SNVBAGLBSA-N 413.321 4.515 0 1 HJAF Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)c5coc6ccc(Cl)cc56)(C4)C2)C3)n1 587276763 VDFNNHMQKPFYKP-RNXMBNEDSA-N 410.905 4.950 0 1 HJAF CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587448071 BJFWBLQNDZLEDU-HXOBKFHXSA-N 404.418 4.621 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccccc1C)C(=O)OCC)CC2=O 587476933 BOXSXKBKWWSVRA-NLFFAJNJSA-N 410.510 4.799 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)c3ccccc3)cc1)CC2=O 587490217 WNIURHFGLKOYDM-HSZRJFAPSA-N 422.502 4.884 0 1 HJAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)c1 587505723 IJOJZZZRKWNIAG-IBGZPJMESA-N 424.440 4.694 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1Br 587558158 QUJSWDINHPYITL-OXJNMPFZSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CC1CCCCC1)CC2 587582745 ODBJLUNMKUYOIF-QFIPXVFZSA-N 407.510 4.769 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)ccn1 587656033 UCWATRJVWHOMMN-UHFFFAOYSA-N 403.310 4.745 0 1 HJAF CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587705826 NOPMZTNENFXRGI-MGPLVRAMSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C[C@@H]2F)N1 587736533 AVEOLUYINIWZQH-YMTYPPQLSA-N 421.329 4.562 0 1 HJAF COc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587777382 GZFDSENNCZYVMC-YBTHPKLGSA-N 401.279 4.769 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1 587837149 ZUVGYVNZLIXYBP-YEJXKQKISA-N 420.322 4.742 0 1 HJAF CN(C)[C@@H](Cn1c(O)cc(-c2cccc(F)c2)c1O)c1cccc(Br)c1 587941813 VVTJXKXJMDNLFM-SFHVURJKSA-N 419.294 4.771 0 1 HJAF COc1ccc(Cl)c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)n1 962632661 FWJSONMUMOSFOM-DVECYGJZSA-N 405.929 4.580 0 1 HJAF Cc1sc2c(c1C)CCN[C@H]2c1cccc(N2CCN(Cc3ccccc3)CC2)c1 963014208 UOTBKTLELVXVOF-VWLOTQADSA-N 417.622 4.922 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]2(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 963257390 JKVRCDJUNWGVCA-QMHKHESXSA-N 420.981 4.889 0 1 HJAF C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1)c1ccccc1F 1857566113 KTUKIQYULOKPOV-JTQLQIEISA-N 413.446 4.534 0 1 HJAF COc1cccc(F)c1-n1cc(-c2ccccc2Sc2ccc(C(=O)O)cc2)nn1 1857577571 LGSQSEGWJFTMGK-UHFFFAOYSA-N 421.453 4.931 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13 2356564074 SZDAYVWJPZICBE-DMGNNYPBSA-N 414.678 4.663 0 1 HJAF COCCNc1nc(NCCOc2ccccc2)c2sc(-c3ccccc3)cc2n1 61929179 QOAJOMMJORMWKX-UHFFFAOYSA-N 420.538 4.908 0 3 HJAF CSCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1 1554177 NUFOUZIOJRXDFK-UHFFFAOYSA-N 400.283 4.686 0 1 HJAF OCC1CCC(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)CC1 13610395 DXCKAYBKZBTPNN-UHFFFAOYSA-N 418.541 4.724 0 1 HJAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(OCc4ccccc4)c3)cccc12 13677190 UZCRDQNYDZCCNC-UHFFFAOYSA-N 413.473 4.876 0 1 HJAF CC1CCN(CC[C@@H]2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1 13804473 BDPXTGHWVMUJCT-NRFANRHFSA-N 400.588 4.505 0 1 HJAF Fc1ccc2[nH]cc(CCNC[C@@H]3CN(Cc4ccccc4)c4ccccc4O3)c2c1 28571215 JRDGPFOLEBMUQC-JOCHJYFZSA-N 415.512 4.907 0 1 HJAF CC(=O)n1cc(Cc2nc3c4c(ccc3c(C(=O)O)c2O)CCCC4)c2ccccc21 35087078 YFJJURQSHTXCBE-UHFFFAOYSA-N 414.461 4.723 0 1 HJAF CCCCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccccc3)[nH]c12 40917730 JTUSPUPWPULRBP-UHFFFAOYSA-N 423.310 4.940 0 1 HJAF C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O 43009453 GFLAXMWGVQJOMI-INIZCTEOSA-N 403.448 4.520 0 1 HJAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2nccc(N3CCNCC3)c2c1 45195225 UZOJGXFHOKDGBE-UHFFFAOYSA-N 416.312 4.595 0 1 HJAF O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 146817173 CWRPSMSLGXTWCU-AULYBMBSSA-N 405.285 4.828 0 1 HJAF CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H](C(C)=O)CC[C@@H]4[C@H]3C[C@H](OC(C)=O)[C@H]2C1 255204673 CWYIAIKRFWEBHR-QHTBEFQTSA-N 416.558 4.628 0 1 HJAF O=C(NC1CCCCC1)Oc1cccc(-c2cc(C(=O)O)nn2-c2ccccc2)c1 299865513 UCYLMYJAXLFWSG-UHFFFAOYSA-N 405.454 4.659 0 1 HJAF COc1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Br 586975454 CSUGUSSGPQPISY-GQCTYLIASA-N 413.250 4.829 0 1 HJAF C/C=C\C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1CC(=O)OC 586991886 KXXHZZGCCRWUOI-OVNWPICBSA-N 413.473 4.937 0 1 HJAF Nc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)sc2cc(Br)ccc12 587030930 JXCGDNBLQIJEMK-OAHLLOKOSA-N 402.277 4.513 0 1 HJAF CN(C)CCOc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064090 AKNCMFDHIWCEKE-UHFFFAOYSA-N 411.889 4.996 0 1 HJAF COc1c(F)ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1N 587133647 XKZZFUFRQPAOJC-UHFFFAOYSA-N 404.161 4.741 0 1 HJAF N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F 587156090 LQXIXWIVSVUQNT-QLJPJBMISA-N 414.200 4.825 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c1 587241911 DRKXQZPIOSGUIX-UHFFFAOYSA-N 423.108 4.637 0 1 HJAF CC(C)n1ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343435 SVEXSQGWZKAUOD-UPVQGACJSA-N 406.457 4.899 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Cl)cc2Oc2cc(O)cc(O)c21 587378802 DRUDURZQUCDXLU-QFIPXVFZSA-N 409.825 4.657 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587420350 ICZKYDMOEMCWLO-XOBRGWDASA-N 407.249 4.510 0 1 HJAF COCOc1cccc([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515811 RWKMJQGTYPTJKY-SANMLTNESA-N 415.489 4.852 0 1 HJAF CN(Cc1ccccc1)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574774 YPSHGKRBLITFHI-RDGATRHJSA-N 417.505 4.881 0 1 HJAF COc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577820 PEZDBGHIMJKUBD-DHLKQENFSA-N 413.429 4.894 0 1 HJAF Cc1c(Br)cncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587681160 JIMUDROFEHMBMJ-ZKANADHPSA-N 414.116 4.678 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl 587696921 VACLDAHJAQMMNP-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587744686 SKYBTCHLRVJRSX-GTJPDFRWSA-N 417.322 4.661 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587799952 VGVKHPHJEKCAJO-LLSQANQASA-N 406.295 4.510 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587826110 GJZUWOLHNQOBMA-QKKBWIMNSA-N 420.322 4.848 0 1 HJAF c1ccc(CN2CCN(C[C@H]3CCC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653702241 AHOQPKNCYXWBKI-HHHXNRCGSA-N 412.577 4.927 0 1 HJAF CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)c2cc(OC)ccc2CCN1C(C)C 962095720 ZRZOGMLQRDANER-SANMLTNESA-N 407.554 4.647 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 962944914 IGKXBDJQNYWUGK-PKJXEIAISA-N 407.533 4.934 0 1 HJAF CSc1nc(Cl)cc(Sc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)n1 1857568645 VMMWOICCTRUCSS-UHFFFAOYSA-N 403.842 4.807 0 1 HJAF Cc1ccc(C(=O)[C@@H](Cn2ccnc2)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1857569390 FCEAAAFBUGIXIU-XMMPIXPASA-N 409.489 4.540 0 1 HJAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(C)=O)[C@@]2(C)[C@@H]1C 2356482924 BHFBPDQHVUVZJC-SMBUUJFSSA-N 404.503 4.789 0 1 HJAF CCC[C@H]1[C@@H](OC(=O)NCc2ccc(C)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713185 KXNZBRZDLLVHPI-HXKBJWFLSA-N 412.574 4.961 0 3 HJAF CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 5069699 SOVQIINIFWMUGH-QHCPKHFHSA-N 415.537 4.591 0 1 HJAF COc1ccc([C@@H]2OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13761555 QJPSOSYPFXRAKF-DEOSSOPVSA-N 400.430 4.718 0 1 HJAF COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1 26725548 OQUMXKSLIFCBJZ-LSDHHAIUSA-N 415.440 4.564 0 1 HJAF O=C(c1ccoc1)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1 27733578 BYXSOYBFGIAIKM-UHFFFAOYSA-N 409.917 4.682 0 1 HJAF COc1ccc(OC)c(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)c1 28470784 PKZFCZOFXZSIFA-UHFFFAOYSA-N 400.482 4.909 0 1 HJAF O=C(c1ccc2[nH]ccc2c1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 28872269 BPCAYLDHVPCKPF-RUZDIDTESA-N 413.496 4.854 0 1 HJAF CCc1nc(Oc2ccccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF 28956396 RLOIJQIGCDMWFP-RBBKRZOGSA-N 422.504 4.853 0 1 HJAF Cc1ccc(-c2c(C)c(CN[C@H]3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1 40881129 DMJMZMXUINSYIJ-INIZCTEOSA-N 417.891 4.877 0 1 HJAF CCOC(=O)c1cn(CC)c2cc(F)c(O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc2c1=O 58576795 UDJIVBMJRVKZIM-KVGGTASHSA-N 415.505 4.931 0 1 HJAF CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1ccc(F)cc1Cl 72109185 FBBLFPVYNGTOEN-UHFFFAOYSA-N 421.850 4.808 0 1 HJAF COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nc(C)cs3)nc3ccccc32)cc1 84587060 SNQWHPKHTONKLP-CQSZACIVSA-N 424.551 4.918 0 1 HJAF COc1cc(-c2nc(C3CCC3)n3ncnc(N)c23)ccc1Oc1ccccc1C 96168308 OYFHXEHJANQKDN-UHFFFAOYSA-N 401.470 4.750 0 1 HJAF Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cccc(N4CCOCC4)c3)cc2)ccn1 103273546 KLHVHKHEBMARRF-LJQANCHMSA-N 401.510 4.636 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 104007832 KWSXVCIPSPPRPM-QVKFZJNVSA-N 413.489 4.992 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccccc1OC(F)(F)F 167338084 HBVIEOAVGNJPNG-UKRRQHHQSA-N 409.404 4.712 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cncc(C(F)F)c3)cc1[C@@]21N=C(C)C(N)=N1 169708788 WUJRLQGOZRVKDS-TVNWEXPRSA-N 424.495 4.802 0 1 HJAF Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F 202949585 VVCVRVUPFSJFRH-HXUWFJFHSA-N 409.427 4.796 0 1 HJAF C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3C4=C(C[C@@H]13)[C@@]1(C)CCC(=O)C[C@@H]1CC4)[C@]2(C)O 238769077 CQKMDXJUNODXFS-WHOYVTDXSA-N 411.630 4.980 0 1 HJAF Cc1ccc(-c2cccc3cnc(N[C@H]4CC[C@@H](C(=O)N5CCCC5)CC4)nc23)cn1 261190475 YYDXTCLVCUQGMO-RVWIWJKTSA-N 415.541 4.593 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Sc4ncccn4)[nH]c3c2)cc1 586963301 GWZUVDPITWMUNW-CYBMUJFWSA-N 406.467 4.785 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OCCCO4)c(C)c1 586966048 BTSFLFKLQXPJSB-UHFFFAOYSA-N 406.511 4.819 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 587109027 LBBXYEBYKPXQAH-UHFFFAOYSA-N 417.156 4.937 0 1 HJAF CCOc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)ccc1OC(F)F 587130439 MGZKOEOFQGDQFA-XBXARRHUSA-N 410.218 4.891 0 1 HJAF C[C@@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335763 OTUGMFOKFIYTFC-UPVQGACJSA-N 423.415 4.817 0 1 HJAF COc1cccc2c1CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354940 WDNBEUNMCFLSIL-ILBGXUMGSA-N 404.437 4.827 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1Br 587542527 YOGZZGYVKPEAQB-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1 587575210 DPCIAZNJMSUFEP-WIOPSUGQSA-N 412.445 4.898 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC[C@H]2CCCO2)cc1 587619446 XXHJKROEVQEZQY-MOADCYBESA-N 418.445 4.653 0 1 HJAF COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628642 PNQBHALUODXQFQ-UHFFFAOYSA-N 410.626 4.746 0 1 HJAF CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587716207 DLZTUTUUHPVOFA-LZVRBXCZSA-N 400.238 4.760 0 1 HJAF COc1nc2ccccc2cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587778977 POWYPJCDXRODOJ-JEOXALJRSA-N 401.279 4.769 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587792043 OBRXNDMEJHFZEG-MGNBDDOMSA-N 417.278 4.700 0 1 HJAF COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805907 IBYBTMFBWXAAHO-YUNKPMOVSA-N 408.311 4.598 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1 587835359 VZPWBAYRPSPWCU-GQNMWPQZSA-N 420.322 4.770 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(O)sc3c2)N1 587858034 OBUPIFPBYSXQBD-YYSFKGJASA-N 407.308 4.701 0 1 HJAF CCOc1cc(C(C)=O)c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C 587938890 FIHXCVDOVXJHCW-GOSISDBHSA-N 423.351 4.554 0 1 HJAF CCOc1cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(Cl)cc1C(=O)O 587942213 WHRGERWMYZENIB-UHFFFAOYSA-N 408.237 4.959 0 1 HJAF CN(C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C1(CO)CCCC1 653773208 VBVVHNAEZMNZNA-UHFFFAOYSA-N 422.598 4.564 0 1 HJAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](C2(c3ccccc3)CCCC2)N1 962623302 BKBXJWZPATYXQJ-APWZRJJASA-N 405.416 4.737 0 1 HJAF CC(C)[C@@]1(c2cc3ccccc3o2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628827 FZGRWQYTOVSBKC-DYESRHJHSA-N 419.399 4.830 0 1 HJAF COc1cc2c(cc1OC)[C@](CC(=O)c1ccc(C)cc1)(C(F)(F)F)N(C)[C@@H](C)C2 962636112 XXWRGSSLKPCGCO-OYHNWAKOSA-N 421.459 4.919 0 1 HJAF Cc1ccc(N)c([C@@]2(c3ccccc3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764231 KXXQOBIHSIPVDT-GGAORHGYSA-N 410.439 4.515 0 1 HJAF Clc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)c1 1857617829 WFVVQLXHYIVTGS-UHFFFAOYSA-N 411.856 4.803 0 1 HJAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)C(CCC(C)=CCO)=C(C)[C@H]1OC(C)=O 2356491816 QQJGTXJPLKSUKT-SVPADUAOSA-N 406.563 4.731 0 1 HJAF CO[C@H](C=CCCCCCC=C(Br)Br)[C@@H]1CCC(=O)O1 2356613902 BIIOETBIMPWOIM-OLZOCXBDSA-N 410.146 4.845 0 1 HJAF COC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cc(C)ccc1C)CCCC3 6878168 ILAFFFOMIXNZAK-UHFFFAOYSA-N 410.539 4.992 0 1 HJAF N=C(N)c1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(Cl)cc2Cl)c1 13781061 VBRBATJVFAKEBY-UHFFFAOYSA-N 416.268 4.541 0 1 HJAF Cn1c(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc2ccccc2c1=O 40866525 NXQSUKTZOSVMPT-JOCHJYFZSA-N 414.896 4.943 0 1 HJAF O=C(COc1ccccc1Br)c1ccc(NC2Cc3ccccc3C2)nc1 73196348 IZUANYIRMYTGKQ-UHFFFAOYSA-N 423.310 4.685 0 1 HJAF COc1ccc(Cl)cc1-n1c(SCc2cccc(F)c2)nc2nncc-2c1O 103538387 GCHGIQVKJVAYCJ-UHFFFAOYSA-N 416.865 4.566 0 1 HJAF O=C(Oc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CC[C@H](c2ccccc2)C1 145634665 YRYRPUAJKATBGH-IBGZPJMESA-N 411.461 4.578 0 1 HJAF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1ccc(CCc2ccc(F)cc2)cc1 299830008 LQGYKHNSMDUBEX-RUZDIDTESA-N 413.496 4.827 0 1 HJAF CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccncc2)c2cc(C(=O)OC(C)(C)C)ccc21 473153112 YTBDRXRPVLREJI-OAQYLSRUSA-N 421.541 4.807 0 1 HJAF O=C(O)/C=C\c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 586880615 AEGOXUUQAUVCQD-YVMONPNESA-N 422.076 4.853 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(CO)cc4[nH]3)c(Cl)cc12 587078412 QBZDDHJADCQBCH-GFCCVEGCSA-N 412.873 4.908 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)nc4)nc13)-c1ccccc1C2=O 587095937 AJNJJZGHEDPOEQ-UHFFFAOYSA-N 407.473 4.653 0 1 HJAF O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2N1 587351904 VRDBWAVAKWMKPS-LADGPHEKSA-N 403.409 4.518 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)cc(Cl)nc1Cl)[C@@H](C2)C3=O 587421134 NULVTQNPYVNLQS-VXJOIVPMSA-N 404.171 4.905 0 1 HJAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O 587424564 ZRVJGXFUGXGNTQ-VNMLXUOPSA-N 417.427 4.747 0 1 HJAF 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407.239 4.781 0 1 HJAF Cc1c(F)ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587168459 WVTZECMOGLLTPU-UHFFFAOYSA-N 405.451 4.679 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1 587192722 ZZHMWLHTMJNRHC-MRXNPFEDSA-N 417.307 4.677 0 1 HJAF CC(=O)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587346439 BTIWQWJNUFWCSD-UPVQGACJSA-N 406.409 4.731 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587350609 XNOMXEHBUJAIIE-ZJSXRUAMSA-N 400.409 4.557 0 1 HJAF COc1cc2c3c(c1)O[C@](CSc1nc4ccccc4s1)(C1CC1)[C@@H](C2)C3=O 587454500 XIFWXOTYIGYHGI-OYHNWAKOSA-N 409.532 4.993 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C(F)(F)F)cc1C1CC1)CC2=O 587464604 UJEOXELCOINUIN-FQEVSTJZSA-N 408.420 4.862 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)no1 587550212 VRXWFYHEMBOFJO-FXAWDEMLSA-N 420.808 4.799 0 1 HJAF CCOC(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598832 VLWVLPJZKFGMFP-DHLKQENFSA-N 418.445 4.511 0 1 HJAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587739500 HLIVHLHQYZIPLJ-YEJXKQKISA-N 421.354 4.672 0 1 HJAF CCCn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759807 VPWFRKWZHXTAGV-BUXKBTBVSA-N 402.311 4.972 0 1 HJAF Cc1nc2ccncc2cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587780021 XKYMDLVASCWNBX-PRWKNARSSA-N 400.295 4.638 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798123 NWPMRUNCDXYSGJ-SZNDQCEHSA-N 420.322 4.546 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2 587834192 QVCQRMCOLQBRLG-JHTDMNASSA-N 406.295 4.544 0 1 HJAF CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)C(C)(C)C)c2n1 653897425 MORCSZYMZXOXQI-UHFFFAOYSA-N 422.573 4.719 0 1 HJAF O=C(N[C@@H]1C=C[C@]2(C1)NCCc1cc(-c3ccccc3)ccc12)OCc1ccccc1 962671451 SGQPYZOVHFGNNG-SHQCIBLASA-N 410.517 4.950 0 1 HJAF COc1cc(-c2[nH]nc3ncc(-c4ccc(Cl)cc4N)cc23)cc(OC)c1OC 1857573914 NXHISUBWCDYHLE-UHFFFAOYSA-N 410.861 4.553 0 1 HJAF Cc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1 1367719 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COc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc3[nH]nc(N)c23)cc1OC 48998437 BCMXMVXAEGSTPK-UHFFFAOYSA-N 400.482 4.770 0 1 HJAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O 49844742 MGPRWPRKOWIGJM-VOZBZGINSA-N 409.791 4.882 0 1 HJAF C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(OC(F)(F)F)cc1F 71329333 CQTZXNPIJZSXKK-DZGCQCFKSA-N 422.426 4.632 0 1 HJAF in-vivo O=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCNCC2 73196590 NJBQIOKBFXTYIA-UHFFFAOYSA-N 410.989 4.871 0 1 HJAF CN[C@@H](C)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 84709440 HWSKZOJGKXIVKG-AWEZNQCLSA-N 408.445 4.691 0 1 HJAF O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 95877937 HKSRNOMJXSTDLM-IEXUWNMDSA-N 420.459 4.622 0 1 HJAF COc1ccc([C@@H]2C3=C(CCCC3)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1OC 103162536 ZFDRUXWQDLHJSL-OAQYLSRUSA-N 415.493 4.840 0 1 HJAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(C)C)nc12 113652699 GACWRDLJSVTTSQ-UHFFFAOYSA-N 407.499 4.568 0 1 HJAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 223349259 FOYHIFNBSBYUKI-AVRWGWEMSA-N 420.553 4.720 0 1 HJAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21 253656821 ZNSKOGGQUHKREZ-MCSPNBSBSA-N 402.560 4.525 0 1 HJAF O=C1C[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)c2c(Br)cccc2O1 587004595 XQLPSHKWOVHOCK-MRVPVSSYSA-N 409.642 4.753 0 1 HJAF Oc1c(F)cc(F)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587133815 BOEAKAMRPAOPIM-UHFFFAOYSA-N 409.108 4.875 0 1 HJAF Cc1cc(Br)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587137578 BQZWNCDJWQBBSS-UHFFFAOYSA-N 409.568 4.854 0 1 HJAF Cc1nc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1Br 587204051 HJTQJVKEBNXRLO-CYBMUJFWSA-N 411.344 4.511 0 1 HJAF Cn1cc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2n1 587343460 TXGOSSZCJSSLQK-URXFXBBRSA-N 402.425 4.692 0 1 HJAF C[C@@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345164 YQAFNZWUAKZUEL-NOZRDPDXSA-N 414.436 4.991 0 1 HJAF 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ACPAYMOPYSMUHV-JVXZTZIISA-N 400.704 4.574 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(=O)CC(C)C)cc1 587870185 BIAXJHIAJIKBRM-UHFFFAOYSA-N 409.461 4.761 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@]2(NC3(CC3)Cc3ccc(Br)cc32)C1(C)C 961610224 AYBMRZZQVRBJSK-OAQYLSRUSA-N 421.379 4.742 0 1 HJAF COc1ccc2c(c1)[C@@H](c1cnc3cc(C)c(Br)cn13)N(C(C)C)CC2 962089498 KDHQLHFYXCRYSJ-NRFANRHFSA-N 414.347 4.770 0 1 HJAF COc1ccc(/C=C/C(=O)OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1O 1772572426 XZQVVLSZWBJIFW-WEVVVXLNSA-N 415.917 4.523 0 1 HJAF CC(C)c1ccc(NC(=O)c2c(-c3ccccc3F)ncnc2N2CC[C@H](F)C2)cn1 1857610587 JAGYEYWXQWZQPN-HNNXBMFYSA-N 423.467 4.602 0 1 HJAF CC=Cc1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC(C)(C)C)n12 1857623235 FEOIPNFECBWUGD-UHFFFAOYSA-N 423.465 4.654 0 1 HJAF C[C@@H]1c2nc(NC(=O)Cc3ccccc3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356635768 JXYDNPFWKZLFPR-YZIOILJKSA-N 424.566 4.578 0 1 HJAF Clc1ccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c(Cl)c1 199271458 YFCOZBOVMAGUBE-UHFFFAOYSA-N 413.352 4.696 0 3 HJAF CCCC(CCC)n1c(CC)nc2c1c(=O)n(C)c(=O)n2-c1c(C)cc(C)cc1C 13582779 PZNZMDLBNBWBQZ-UHFFFAOYSA-N 410.562 4.515 0 1 HJAF Cc1nc2c(C(=O)Oc3c(Cl)cccc3Cl)cccn2c1Br 13778313 LQQTYLZCURCDBI-UHFFFAOYSA-N 400.059 4.931 0 1 HJAF CCN(CC)C(=O)/C=C/[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26391887 PGJBQLZXSGYLAU-VCVUJEJSSA-N 414.634 4.891 0 1 HJAF Cc1cc(-c2c(F)cc3/c(=N/CCCN(C)C)ccn(C4CC4)c3c2F)cc(C)n1 27328194 IYVIWOJUROORLY-SZXQPVLSSA-N 410.512 4.786 0 1 HJAF CC(C)=CC[C@@H](C(N)=O)N(Cc1ccc(C)cc1)Cc1cc(-c2ccccc2)on1 29563028 ASUHCFKXSBCUFB-QHCPKHFHSA-N 403.526 4.862 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@H](C)[C@@H]21 33873993 ZNSKOGGQUHKREZ-MIOXMVEKSA-N 402.560 4.525 0 1 HJAF COc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)cc1 36627305 JDXLXDQKNWKCDO-UHFFFAOYSA-N 401.470 4.749 0 1 HJAF COc1ccc(Oc2cc(Nc3ccc(F)cc3C(N)=O)c(C(F)(F)F)cn2)cc1 73160737 PNWZXNYVZYYYBP-UHFFFAOYSA-N 421.350 4.883 0 1 HJAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 95560478 QPKUVYGEEAPCQE-NRFANRHFSA-N 402.425 4.588 0 1 HJAF CS(=O)(=O)c1ccc(-c2c(Cl)nc(Cl)n2-c2ccc(F)cc2F)cc1 95572566 KOKCYICEAPQFKY-UHFFFAOYSA-N 403.237 4.528 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 95911526 NEMWYOKGHGSVSC-ROVNOPEASA-N 415.662 4.563 0 1 HJAF biogenic,in-vitro NCCCCN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100884301 VYRDPBDLAQLRSZ-FGZHOGPDSA-N 400.513 4.805 0 1 HJAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCCC[C@H]3C=C21 238779997 KXKULRKSUHFWLX-BTYIYWSLSA-N 407.510 4.737 0 1 HJAF O=[S@@](CCCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1 586961932 ZGKXOZZNSSIBGU-VWLOTQADSA-N 414.328 4.614 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)s1 587023268 MBAAYGMESHXJHA-UHFFFAOYSA-N 400.382 4.932 0 1 HJAF Nc1ccc(-c2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1N 587079825 KYAXLWTXFZYXGV-LJQANCHMSA-N 416.916 4.772 0 1 HJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1 587126046 JOMFZVSJEGPIAB-CPCISQLKSA-N 405.302 4.633 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(F)c(N)c5)[nH]c4c3)o2)cc1 587139827 ZBGKSHSPBGEYLQ-UHFFFAOYSA-N 401.401 4.677 0 1 HJAF Cc1nc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1Br 587220392 RKFAEAXZJVROCX-GOSISDBHSA-N 421.298 4.548 0 1 HJAF CCCOc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br 587252125 WWXVTRSMCOHAJO-UHFFFAOYSA-N 402.292 4.512 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCOC2)[C@H]1c1ccc(F)cc1 587356336 JJMSHBJYMPIGHK-FMNCTDSISA-N 404.437 4.822 0 1 HJAF Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587412863 DCWQHSQBOADHPA-DEOSSOPVSA-N 404.535 4.927 0 1 HJAF COc1cc2c3c(c1)OC1(CCN(c4ccccc4C(F)(F)F)CC1)[C@@H](C2)C3=O 587422341 TXVCSGYFXOURNS-INIZCTEOSA-N 403.400 4.501 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c(F)c1 587427325 SMNUGKFYYZZFFS-NTKDMRAZSA-N 418.420 4.777 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(F)cc4)c1)[C@@H](C2)C3=O 587430041 YPXVGNUYGSPQRD-CPJSRVTESA-N 420.436 4.911 0 1 HJAF COc1cccc(COc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441576 FYBSYYOITREBFJ-CJFMBICVSA-N 402.446 4.772 0 1 HJAF Cc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587688073 WFMWJBCGEDTTAI-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587696150 CUYMIKCHCZMPDT-NSPYISDASA-N 420.713 4.791 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1 587721337 PFUIKLSSFBPWEF-BCTVWOGZSA-N 420.200 4.816 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587722107 YGBUFYFSVGMNPX-XLFHBGCDSA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(F)c3)c2)N1 587727611 BWLLHABPGKENDV-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587736916 CJAPPNAYIPHIDP-YUNKPMOVSA-N 422.317 4.520 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1 587763857 AHOMVCIPSYDTEU-YEJXKQKISA-N 418.354 4.568 0 1 HJAF CCOCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587794246 GHHKDLLVFVGAOC-FKIZINRSSA-N 408.311 4.757 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3ccccc3)CC2)N1 587824363 ZZWDPRLLKJQMRV-OZJRSANCSA-N 404.323 4.780 0 1 HJAF CCCCSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587845862 ONHDKBPETIGTEC-PIGZYNQJSA-N 410.356 4.894 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1CCCCCC1 587866857 QTFNJTMLNWWIGY-UHFFFAOYSA-N 409.452 4.874 0 1 HJAF CC(C)Oc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br 587969375 OEXKKHOIOCTLPX-RHFQXMJRSA-N 403.320 4.759 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccc(C)n1)c1ccccc1Cl 963612727 TXGGLFQTKMHSBS-UPCLLVRISA-N 408.929 4.887 0 1 HJAF NC(=O)[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 1772639457 SXFCYXUAGDJKPV-HXUWFJFHSA-N 412.411 4.574 0 1 HJAF CC[C@]1(CCn2cc(COc3ccc(C)cc3)nn2)OCCc2c1[nH]c1ccccc21 1857599455 DTDHIMCTTNDNDN-RUZDIDTESA-N 416.525 4.915 0 1 HJAF Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1 28817223 FUVYDVIXWRDBRY-UHFFFAOYSA-N 400.566 4.835 0 1 HJAF CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C 40865312 LEQZPZLQSCHFOS-FQEVSTJZSA-N 423.582 4.951 0 1 HJAF Cc1ccc(-c2c(C)c(CN[C@@H]3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1 40881126 DMJMZMXUINSYIJ-MRXNPFEDSA-N 417.891 4.877 0 1 HJAF CN(C)C12C[C@H](c3ccccc3)C([C@H](NCN3CCCC3)C1)[C@H](c1ccccc1)C2 64373277 BUPIVROIGNEUGH-ILQJIGPNSA-N 403.614 4.680 0 1 HJAF Cc1ccc2cc(-c3n[nH]c4ccc(NS(=O)(=O)c5ccccc5)cc34)[nH]c2c1 66138498 VNLPGSKDUJXIKC-UHFFFAOYSA-N 402.479 4.820 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 73223216 CGECRUJWSJMTLZ-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C3=CCCCC3)ccc1N[C@H]2CO 95599555 UEVFQSKQKQDEAK-CVJWPJSTSA-N 402.538 4.563 0 1 HJAF COc1ccc(CN2CCN([C@H](c3cccc(C)c3)[C@H](O)c3ccccc3)CC2)cc1 169332188 KIBVFZMXABYOHN-KAYWLYCHSA-N 416.565 4.596 0 1 HJAF Cn1cc(-c2ccc(=O)n(C)c2)c(COc2ccc(-c3ccc4ccccc4n3)cc2)n1 203745766 IQTLAXYGYBJURZ-UHFFFAOYSA-N 422.488 4.580 0 1 HJAF in-vitro CN(CCOc1ccc(Cl)cc1C(C)(C)C)C(=O)Nc1ccccc1C(=O)O 218583667 ABVXFUIMBDWVRP-UHFFFAOYSA-N 404.894 4.878 0 1 HJAF c1ccc(C2(N3CCOCC3)CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc1 299836389 ZQBSQMGQOSEZKP-UHFFFAOYSA-N 402.538 4.738 0 1 HJAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccs1 299874090 AUYWLUDNTCFJEI-KPOMDYAJSA-N 417.527 4.543 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299875551 DCUPCNFOXFBODB-GMKZXUHWSA-N 424.541 4.559 0 1 HJAF COc1cc(-c2csc3ccccc23)cc2c1OCC(=O)N(Cc1cccnc1)C2 473132452 SRFWGVMPDICHSF-UHFFFAOYSA-N 416.502 4.893 0 1 HJAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)C 586933150 NCBPHDNAJXNGPD-HXUWFJFHSA-N 401.532 4.772 0 1 HJAF Cc1nccc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c12 586984625 TZAXKGVXITVINE-UHFFFAOYSA-N 407.271 4.948 0 1 HJAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 587013732 BMZYYHBHHPUKGB-ZETCQYMHSA-N 401.717 4.903 0 1 HJAF Cc1nc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1Br 587082891 YHSKNMZKOIRZDG-UHFFFAOYSA-N 418.682 4.582 0 1 HJAF CCCOc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br 587137094 SPARGDXDRUOKQH-UHFFFAOYSA-N 400.198 4.781 0 1 HJAF CN1CCN(c2ccc3[nH]c(-c4ccc(F)cc4-c4ccc(C=O)cc4)nc3c2)CC1 587158582 OSFCVOPDZLPHIC-UHFFFAOYSA-N 414.484 4.600 0 1 HJAF Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409813 WTKYJMPZSXASSK-SANMLTNESA-N 419.521 4.711 0 1 HJAF COc1cc(C)c(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587590246 BFDCJMATORJIOJ-DHLKQENFSA-N 420.461 4.681 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1SC 587614327 RVQRWBIAOLXUQP-NZQKXSOJSA-N 424.474 4.834 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)o1 587615503 XPVYETQPRQZLLW-WIYYLYMNSA-N 418.430 4.629 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)n2)N1 587682043 MFRYPGLINCRWGT-JDNHERCYSA-N 414.116 4.543 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC 587691768 HVIWHPOXRSOULA-XYZCENFISA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1 587713809 OBVVCSCFCZFJJB-FVMDXXJSSA-N 405.233 4.743 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C)C(=O)O)(c2cccc(F)c2)N1 587730647 JTDYGUFTBPBJSQ-HTGLOVNISA-N 424.285 4.616 0 1 HJAF CCOC(=O)[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795803 JKMMEYYASYZUIM-SPLOXXLWSA-N 420.322 4.514 0 1 HJAF COc1cc(C)c(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809954 VVJKJKAOHTZYCL-ZSEKCTLFSA-N 422.338 4.906 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(N(C)C2CCCCC2)s1 963635124 LMMUEUKGIWNZOG-LHSJRXKWSA-N 401.576 4.553 0 1 HJAF CCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)CCC(C)=CC[C@@H](O)C(C)=Cc1csc(C)n1 2356401685 MAZMBUSHGWINCC-GZSQKZNCSA-N 421.603 4.514 0 1 HJAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccc4cccnc34)cs2)cc1 61897557 POYVUVBYSTVCMU-QHCPKHFHSA-N 403.507 4.767 0 3 HJAF O=C(Nc1ccc(Br)cc1)OCCCN1CCC2(CCCCC2)C1=O 96019362 PDAKFMLCWLZVFQ-UHFFFAOYSA-N 409.324 4.571 0 3 HJAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 776948 JDEPOGOXJJCXNP-LLVKDONJSA-N 423.271 4.955 0 1 HJAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCCOC)c1 2481189 FZFHDNUPEOYQFU-UHFFFAOYSA-N 414.889 4.827 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCN(CC)CC 4212547 JYUYWVANCJQLTK-PKTZIBPZSA-N 417.594 4.557 0 1 HJAF O=C([C@@H]1CS[C@@H](c2cccnc2)N1)n1ccc2ccc(OCc3ccccc3)cc21 13737439 SEQSKZVQTFKVET-GMAHTHKFSA-N 415.518 4.659 0 1 HJAF Cc1cnnn1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1 14949260 GVOOLHNJOQWXKE-UHFFFAOYSA-N 411.513 4.586 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@]1(O)c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4 15217338 CMHGFGMNRHHGSN-ZCYQVOJMSA-N 406.478 4.799 0 1 HJAF biogenic CCCC[C@](O)(c1ccccc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26009996 AJBFTKKXGPDMJF-LEWJYISDSA-N 420.340 4.551 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 26954489 FSHSFSWCXDGVQS-SBRWTRJKSA-N 406.570 4.847 0 1 HJAF O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)C[C@](O)(c3ccccc3)[C@@H]12 40764040 IJGFFCKEHGJJCD-DYZUWXGSSA-N 417.892 4.783 0 1 HJAF C[C@@H](CC(=O)NC1=C(C(=O)O)CCCC1)c1csc(-c2ccc(O)cc2Cl)n1 40938574 XASWVYZEEHXQCU-NSHDSACASA-N 420.918 4.692 0 1 HJAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 43204806 PCKPLKTXIIQVRV-AVRDEDQJSA-N 402.542 4.792 0 1 HJAF Cn1cnc(CCNC(=O)c2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 45202647 RWWMOBJAMFGZDW-UHFFFAOYSA-N 421.504 4.603 0 1 HJAF CN(Cc1cccc(F)c1)[C@@H]1CCCN(c2cc(NC(=O)c3ccccc3)ccn2)C1 45324289 UQSPXWBZTRKINN-HSZRJFAPSA-N 418.516 4.574 0 1 HJAF Cc1cc(C)c([C@H]2CC(c3cccc(Br)c3)=NN2C(N)=S)c(C)c1 45497048 PARDFSWQBUTFEI-QGZVFWFLSA-N 402.361 4.769 0 1 HJAF COc1ccc2ccc(=O)oc2c1-c1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1 72120087 BUYBCJDHAXVNTK-UHFFFAOYSA-N 413.355 4.527 0 1 HJAF CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)CC1 82152436 BIOFRGLYBOTEIN-HDICACEKSA-N 410.537 4.637 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 104007826 KWSXVCIPSPPRPM-YCRPNKLZSA-N 413.489 4.992 0 1 HJAF CCC(=O)[C@H]1[C@@H](c2ccc(/C=C(\C)I)cc2)C[C@@H]2CC[C@H]1N2 140476494 FMZWUJWDVRSFBN-BMZPUPCXSA-N 409.311 4.686 0 1 HJAF CCC(CC)N(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713953 IPRXHMGTIKEHQX-WNVKFLJJSA-N 402.623 4.865 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299880415 MGAOUKFKTFGKOJ-ULLYJBBUSA-N 418.578 4.622 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299881720 OMPXNOQDDACFGT-KRZXBLKESA-N 424.944 4.913 0 1 HJAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586922604 QJIFZPXYZWOFSN-UHFFFAOYSA-N 400.447 4.559 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)c(C)c2[nH]1 586935890 JOJGFQFRXTUKGE-SFHVURJKSA-N 417.600 4.569 0 1 HJAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082681 BCNDZDCVAMBAKC-UHFFFAOYSA-N 406.294 4.879 0 1 HJAF Fc1ccc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1 587150221 QRSDNZYCIRUCMS-RQOWECAXSA-N 415.035 4.932 0 1 HJAF Fc1cc(Br)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587160985 IBRMGZUCIQOVLR-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CC(C)[C@@H](c1nc2cc(Br)cnc2[nH]1)N(C)C(=O)OCc1ccccc1 587197799 OQFFKHVTPLTLPJ-INIZCTEOSA-N 417.307 4.686 0 1 HJAF O=C(Nc1ccccc1)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 587244138 LMFXIIULKLTXCA-UHFFFAOYSA-N 417.778 4.944 0 1 HJAF COc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587335038 VJOQTAPQZWFCSV-DENIHFKCSA-N 413.832 4.863 0 1 HJAF CCN(CC)c1cccc(Br)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414044 REVAMGUVEGXDQH-SZNDQCEHSA-N 416.315 4.793 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4OC)Oc4ccccc41)[C@@H](C2)C3=O 587449224 APHHFXZNCGBULM-AFMDSPMNSA-N 412.441 4.780 0 1 HJAF COc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450675 FQNKOQMLHYEPSC-IBVKSMDESA-N 412.441 4.780 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)CC2=O 587488908 SJSUUDDOAPTGMX-JOCHJYFZSA-N 416.539 4.871 0 1 HJAF Cc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544278 KCJIPGVOMADHMQ-JXFKEZNVSA-N 412.239 4.561 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611465 IYPXOHGGEFVLAS-GHTZIAJQSA-N 422.506 4.850 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1 587702997 QHIWBKQUPKLGEK-BSCXKWEMSA-N 424.697 4.660 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F 587719636 QYDJKGREBYCLMA-HUTHGQBESA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)cc2F)N1 587720113 RSOPFRLPFJNJGZ-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)n(C)n2)N1 587763290 JAUMOKUSJIBKHL-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2c1OC 587928804 MIPAWNMVQBDBDJ-UHFFFAOYSA-N 418.449 4.709 0 1 HJAF COC(=O)c1cc(OC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OC 587942495 ZXIAHMWQKYNAAU-UHFFFAOYSA-N 417.845 4.735 0 1 HJAF Cc1cc(C)c(C)c([C@@]2(C[C@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)c1C 962925535 ZHXOCTZMRBPDCX-SGANQWHYSA-N 411.590 4.667 0 1 HJAF C[C@]1(c2cc(Br)cnc2F)c2ccsc2CCN1Cc1cccnc1 962995972 NWYQFTRSDRQVMH-LJQANCHMSA-N 418.335 4.762 0 1 HJAF COc1cc([C@]2(C[C@H](C)CC(=O)O)NCCc3c(OC)ccc(Cl)c32)ccc1C 963271209 STGYIPPYEUYWTQ-FATZIPQQSA-N 417.933 4.556 0 1 HJAF Cc1ccc2c3c1N(CC31CC1)[C@H]2c1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 963728715 IFDJNJAYINXMHK-LJQANCHMSA-N 409.555 4.699 0 1 HJAF CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccncc2)cc1 1772583690 CVIJIJSHGPSCIV-OCEACIFDSA-N 402.538 4.754 0 1 HJAF CC(=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O)CC[C@H](O)C(C)(C)O 2356447455 SVSNSNSWTYASLF-QHCPKHFHSA-N 412.482 4.617 0 1 HJAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@@H]12 205206954 HXOGLFWIGUZTIJ-PKTZIBPZSA-N 411.505 4.529 0 3 HJAF O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc(Cl)cc1 13725212 SYJATSPSHVYKOS-UHFFFAOYSA-N 401.938 4.917 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](c2ccccc2)C2CC2)cc1 26672413 SQHRMUUVYVJDQX-HSZRJFAPSA-N 420.534 4.677 0 1 HJAF COc1ccc([C@@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 42964419 MYCWRRSOZISJTQ-AZUAARDMSA-N 404.919 4.640 0 1 HJAF Cc1ccc(N[C@H](C)c2nc3ccccc3c(=O)n2CCO[C@@H]2CCCCO2)cc1C 45300564 VUPHLWZMXWYWHQ-AUSIDOKSSA-N 421.541 4.730 0 1 HJAF COc1cc(C(=O)c2c(-c3ccco3)oc3c(O)c(OC)ccc23)cc(OC)c1OC 72180594 AEOXXIFSIPEOQP-UHFFFAOYSA-N 424.405 4.664 0 1 HJAF COc1cc(/C=C/c2nnc(-c3ccccc3Br)o2)cc(OC)c1OC 96284428 AJWPLFVLRWAACK-CMDGGOBGSA-N 417.259 4.695 0 1 HJAF COc1ccc2cc1CN(C)C/C=C\CCOc1cccc(c1)-c1ccnc(n1)N2 137312092 BTJHWCJCRJUEGO-ARJAWSKDSA-N 402.498 4.666 0 1 HJAF COCc1ccc2c(c1)CN(C(=O)Nc1ccc(NC(=O)CC3CCCC3)cc1)C2 167256905 DLYAPEJSZOHEPI-UHFFFAOYSA-N 407.514 4.900 0 1 HJAF C/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc2c(NCC(C)C)n1 169228014 HGTSNQVQTWFRDL-SNAWJCMRSA-N 407.493 4.529 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]1C 238771895 URRSOXWGRAMYOW-PTEIEJBESA-N 416.558 4.748 0 1 HJAF CC1=C(c2ccc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3c2)NNC(=O)C1 587016254 STOHOKXGAORLMS-UHFFFAOYSA-N 421.913 4.762 0 1 HJAF COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352947 PQXNBCREAIVWLY-JCVZSFDNSA-N 420.436 4.595 0 1 HJAF COc1ccc(C=O)cc1COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398249 DCWHIRKLQWLNHV-XMMPIXPASA-N 417.461 4.684 0 1 HJAF CCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587414161 TYDCXYZTKVBBKC-KZULUSFZSA-N 423.690 4.999 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccc(Br)cn13)CC2=O 587457750 CELJQQLKMHOYCK-QGZVFWFLSA-N 415.287 4.770 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583121 QIZZQBDHYVSGDF-YPAAYVHUSA-N 415.489 4.635 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC 587691767 HVIWHPOXRSOULA-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF Cc1cccnc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754361 LWGJQDJBEFTSQU-DJJJIMSYSA-N 400.295 4.706 0 1 HJAF Cc1cccc(N2CCC([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)n1 587769730 PMFUZSMNDPVIPU-SPLOXXLWSA-N 418.354 4.784 0 1 HJAF COc1ccccc1C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810370 WYLPVAIEZIWHSD-MPBGBICISA-N 406.295 4.619 0 1 HJAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951025 VFNLQTNFRGGLGU-NXVVXOECSA-N 419.506 4.776 0 1 HJAF COC(=O)c1cc(Cl)cc([C@H]2c3ccsc3CCN2Cc2cccn2C)c1 962399497 QTXAIJHNZDFAKS-FQEVSTJZSA-N 400.931 4.674 0 1 HJAF C[C@@H]1C[C@@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)[C@@H]2CCCC[C@H]2N1 962635346 HYVSQVCWHUEELT-MIHQQYKOSA-N 401.598 4.569 0 1 HJAF COc1ccc(-c2ncc([C@H]3c4ccsc4CCN3Cc3cccnc3)cn2)cc1 962997239 LBIDKAPDRGJZHV-QHCPKHFHSA-N 414.534 4.756 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(ccc(OCC(F)F)c3Cl)C2)cc1 1772616230 FOBSVOCGKLUHFT-AWEZNQCLSA-N 422.903 4.739 0 1 HJAF C[C@H]1CC[C@]2(NC1)N[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356605538 JXWLYDNHVXFBJA-SPZGTFFFSA-N 412.662 4.860 0 1 HJAF COC1=C(C)[C@]2(OC(=O)C=Cc3ccccc3)C(=O)[C@@H]3C(C)=CO[C@@H]3C[C@@]2(C)CC1 2356607056 OHJOLXCVQUXFGH-ZUUNWQIRSA-N 408.494 4.594 0 1 HJAF COc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 2724570 PZUNXRSJVFOAQH-QFIPXVFZSA-N 424.859 4.672 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C 4310488 UAGISAOBKPZBCO-PNHOKKKMSA-N 411.949 4.559 0 1 HJAF c1ccc(N2CCN(C[C@H]3C[C@H]4c5ccccc5Cc5ccccc5N4O3)CC2)cc1 13437016 PZVJEHWECRAJMM-SQHAQQRYSA-N 411.549 4.665 0 1 HJAF CN(Cc1ccc(SC(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780505 RVUNQBYRZIFONQ-INIZCTEOSA-N 408.445 4.694 0 1 HJAF CC1=C(C(=O)Nc2ccccc2)[C@@H](C(C)C)n2ncc(C(=O)Nc3ccccc3)c2N1 20134931 WOYFSMOWDLRMPI-OAQYLSRUSA-N 415.497 4.671 0 1 HJAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cnc6ccccc6c5)cc34)nc12 28950063 UZNNPFJNMZEOIY-UHFFFAOYSA-N 406.449 4.863 0 1 HJAF Cc1cccc2c(=O)[nH]c(C3=C[C@H](N4CCC(c5ccc(F)cc5)CC4)CC3)nc12 28954765 FKBRAGVUNJQNJG-OAQYLSRUSA-N 403.501 4.796 0 1 HJAF CCCC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 36503182 ADBORFUDEHAIIL-QHCPKHFHSA-N 412.530 4.607 0 1 HJAF biogenic Cn1c(N2N=C(c3ccccc3)C[C@@H]2c2cccc(Cl)c2)nc2ccccc2c1=O 40872371 KUKFIJAZIBHMHL-JOCHJYFZSA-N 414.896 4.943 0 1 HJAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCC3CCOCC3)cc2c1 72177951 ZZLASUXQDJCLCY-GOSISDBHSA-N 417.553 4.514 0 1 HJAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cccnc3)cc2c1 72179222 NPNWFUIRKKRIEZ-GOSISDBHSA-N 410.521 4.682 0 1 HJAF COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1 82066835 AKCCBDLWFFCBJQ-UWVAXJGDSA-N 423.561 4.757 0 1 HJAF CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCc1ccccn1 82185101 JFNDCPOKIKCRLO-UHFFFAOYSA-N 420.948 4.928 0 1 HJAF CCN(CC)CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC 84617255 JRUBCGWWMQRPLB-UHFFFAOYSA-N 418.900 4.895 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC 102344126 JWYCTIJDXLZLTN-HXUWFJFHSA-N 405.454 4.734 0 1 HJAF Cc1[nH]c(CO)c(-c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2)c(=O)c1Cl 142257711 ZXLSSHYIUCJQDD-UHFFFAOYSA-N 412.770 4.716 0 1 HJAF Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)[C@H]1C(=O)CCCC1=N2 169690536 JJHNWPYOSRAXCV-RTBURBONSA-N 408.552 4.985 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NCc1ccccc1 169714344 FWBHJCPPBDITIA-XOZDTIMBSA-N 406.570 4.575 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NCc1ccccc1 169714345 FWBHJCPPBDITIA-DULFJFJWSA-N 406.570 4.575 0 1 HJAF Cc1ccc(CCc2nc3cc(Br)c(Br)cc3[nH]2)cc1N 587250635 OGQZOZYHECCWLP-UHFFFAOYSA-N 409.125 4.764 0 1 HJAF CC(=O)N(C)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587338085 PLODCZSFVTZCGF-ZCYQVOJMSA-N 419.452 4.788 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3nn(-c4ccccc4)cc3C=O)o1)O2 587392642 UQHSVGRCLKHHNM-QFIPXVFZSA-N 413.433 4.542 0 1 HJAF COc1cc2c3c(c1)O[C@@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587430299 GKNUTTWCXDSBLE-LVXARBLLSA-N 416.521 4.975 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cccc(CC(=O)O)c4)c1)[C@@H](C2)C3=O 587447412 RNMOVXFYUHGGTE-HFZDXXHNSA-N 414.457 4.652 0 1 HJAF COc1ccc([C@@]2(CC(C)(C)C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522731 HKHIHHPOGULZLI-VWLOTQADSA-N 408.494 4.936 0 1 HJAF COC(OC)c1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587556250 IWJACISNIDSTOE-DENIHFKCSA-N 410.397 4.526 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557234 QVDVOAMZJZARJJ-XLIONFOSSA-N 401.340 4.817 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cc(F)cc(F)c1 587572606 SQXWTPXEVCXPDF-XXBNENTESA-N 420.371 4.763 0 1 HJAF Cc1cc(C)n(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587582390 PCNYYPLKVXZMKK-RDGATRHJSA-N 412.445 4.898 0 1 HJAF CC1(C)OCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587616823 MITCUSUUQCXQJU-OFNKIYASSA-N 404.418 4.740 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2Br)N1 587681031 WAKVOFXZNWJUCY-VPTHRUTESA-N 415.100 4.680 0 1 HJAF Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587693115 CWUCOOZORYUIIL-HUTHGQBESA-N 400.723 4.505 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587722103 YGBUFYFSVGMNPX-HUTHGQBESA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2)N1 587729786 DKRDYGYZIHPXOC-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C 587758138 PTMNEJSQRFAQNY-QKVFXAPYSA-N 414.322 4.921 0 1 HJAF Cc1ccc(-n2cccn2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587759736 MLKVLTLRQCIMSG-ZUOKHONESA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1 587855518 GLZIDKVKPQEDEH-FVINQWEUSA-N 421.379 4.908 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccco2)on1 587861911 DPFSZOFOUPRRMK-UHFFFAOYSA-N 403.316 4.514 0 1 HJAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2C)c(OC)c1 587930692 UJZNIEQMEVHMEY-UHFFFAOYSA-N 415.449 4.553 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 587955799 PFNFEKAPLQSKDK-OAQYLSRUSA-N 421.504 4.997 0 1 HJAF CC(C)c1nn(C)c2c1[C@](C)(c1c(F)ccc(Cl)c1Br)NCC2 962914317 FGEFEDFOSKGGNV-KRWDZBQOSA-N 400.723 4.508 0 1 HJAF Cc1ccc(C)c([C@]2(CCCCCC(=O)O)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963023502 JWIPDIJUKGNBIM-AFMDSPMNSA-N 420.553 4.635 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(Cl)c(F)c1)C(F)(F)F 963577763 DTECSXLRKCRIGE-MLCYQJTMSA-N 403.803 4.836 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1cccc(C=O)c1 963856224 UXENFOSQLJSMNE-NLFFAJNJSA-N 423.509 4.708 0 1 HJAF CN(C)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 1772585456 KYQUFRVBTMAGGE-UHFFFAOYSA-N 417.340 4.528 0 1 HJAF Cc1[nH]c2c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3C)c2c1C 1857767537 NXMFFUWGMHKEJX-UHFFFAOYSA-N 422.488 4.558 0 1 HJAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1 1857774364 KQMGYCRGELJSSO-UHFFFAOYSA-N 409.404 4.716 0 1 HJAF CC1=C[C@H](CNS(=O)(=O)C(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356286705 MIVIYWITWWGLSN-ZCNNSNEGSA-N 417.619 4.596 0 1 HJAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(-c5ccccc5)o4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356762634 KHGOMJMMQNGHLI-BWZPTIMASA-N 416.517 4.955 0 1 HJAF CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 36389106 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CC(=O)Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF 71319103 OXJYWXHMIBOPRA-DKZVUGQWSA-N 401.551 4.673 0 1 HJAF COc1ccc(-n2c([C@H]3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1 72123616 ZGQZTHWLDSRLAV-LJQANCHMSA-N 419.529 4.585 0 1 HJAF COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(N)c2cc1OC 82131853 UMAIKDSEWVGXOE-UHFFFAOYSA-N 416.481 4.676 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc([C@@H](O)c4ccc(Cl)cc4Cl)cc3)nc2c1 116022975 XCHZQJNZYMVJOD-LJQANCHMSA-N 412.276 4.717 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2cccnc2)c1 166827072 HMAWMGSERKTLSM-UWJYYQICSA-N 402.494 4.876 0 1 HJAF O=c1n(-c2ccccc2)c(O)c(-c2ccc(Br)cc2)n1-c1ccccc1 169719334 ASUHORJFCYAPSO-UHFFFAOYSA-N 407.267 4.763 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 215902618 BNGROQZZKLNDIO-KDOFPFPSSA-N 423.538 4.640 0 1 HJAF CCC[C@H](CC(=O)OC)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@@H](C)C2=O 238763959 YDWPHDXVXDIEMH-MGPQQGTHSA-N 402.487 4.623 0 1 HJAF 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COc1ccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CC3(CCC3)C2)cc1 587936644 XEAKORYEWPJHBQ-UHFFFAOYSA-N 417.553 4.654 0 1 HJAF Fc1ccc(F)c([C@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1 653680391 JIRAWGOWJRZGJS-HXUWFJFHSA-N 413.447 4.805 0 1 HJAF Cc1c(F)ccc2c1[C@@]1(CC(C)(C)CC3=C1[C@H](c1ccccc1)NC(=O)N3C)NCC2 962143756 IVBCCFADSZRTGK-JYFHCDHNSA-N 419.544 4.946 0 1 HJAF O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1nc2ccc(O)cc2s1 1857768876 CMEHUCXLRATIIB-UHFFFAOYSA-N 418.478 4.576 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356819177 DZQZPPMTZCGVOX-JKSVLMKUSA-N 424.581 4.512 0 1 HJAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774566 YCJZCMXOSSJKGW-HOTGVXAUSA-N 402.903 4.757 0 1 HJAF CCCCCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3799355 DEHQNTITQNDAJK-WILZEYHLSA-N 402.623 4.867 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCN(CC)CC 4212604 MHHZZVQSTUHMMM-XZOQPEGZSA-N 417.594 4.557 0 1 HJAF CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1cc(C)nc(C)n1 13832824 WSLOBJAPCPPION-UHFFFAOYSA-N 413.529 4.747 0 1 HJAF CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28827019 KIDDMZJRFUKWAI-YYWHXJBOSA-N 416.458 4.659 0 1 HJAF c1ccc(COc2ccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)cc2)cc1 29131623 QUCXQLOHVUJTDN-UHFFFAOYSA-N 405.481 4.790 0 1 HJAF O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 29132631 LSLUBIPGYQOBQJ-QFIPXVFZSA-N 411.885 4.696 0 1 HJAF CCN(CC)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 82066978 JKPXDGOGKABXNT-FQEVSTJZSA-N 405.502 4.618 0 1 HJAF COc1cc2nc(C3CC3)nc(C3CCN(c4ccccc4OC)CC3)c2cc1OC 219532873 XXJBIZCGMPWYCF-UHFFFAOYSA-N 419.525 4.917 0 1 HJAF C[C@H](C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(C(=O)c2ccccc2)c1 299820676 HMKYXELNLAZYII-KRWDZBQOSA-N 412.489 4.567 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299881722 OMPXNOQDDACFGT-XIGKFDRGSA-N 424.944 4.913 0 1 HJAF O=S(=O)(CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc2c(c1)CCC2 586922681 RCVPVWDJIWEAPB-UHFFFAOYSA-N 418.518 4.860 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1 586965428 WIQZGECFEUQBJS-UHFFFAOYSA-N 403.573 4.550 0 1 HJAF Fc1cnc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587017488 MBHUPRKJZZRJPV-UHFFFAOYSA-N 410.659 4.698 0 1 HJAF COc1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587030199 ASUMIPFOJVYQHF-SHLUWWQESA-N 400.529 4.698 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587044232 XXOFNFJCFHOBAL-AWEZNQCLSA-N 423.325 4.551 0 1 HJAF Cc1onc(-c2nc3c(Br)nccc3[nH]2)c1COc1ccc(Cl)cc1 587076321 PMOOWZLGTQVHBG-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1F 587142679 KTVJQYNFOIDRLN-GFCCVEGCSA-N 420.179 4.865 0 1 HJAF C[C@@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377531 RZFPBVAOWPENAX-PGRDOPGGSA-N 412.438 4.638 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)O2 587396243 QXPXQJBKCWMDMT-UQBPGWFLSA-N 422.525 4.706 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nccc(Br)c13)CC2=O 587458036 FOLQBZGWWCSMJC-MRXNPFEDSA-N 401.260 4.690 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Cl)c2)c1 587546794 KSUYAQSEVORVJM-OFNKIYASSA-N 418.836 4.934 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1OC 587547837 UXHFGVAQOZRJQO-UWJYYQICSA-N 412.825 4.766 0 1 HJAF COc1ccc2c(c1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551681 IKCHIVJJGZXDOV-AUSIDOKSSA-N 408.837 4.858 0 1 HJAF C/C(=C\[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587618673 PRCMVVXDJCFFFQ-FAXZBDKVSA-N 407.491 4.776 0 1 HJAF CCOc1ccc(-c2nn(C(=O)c3cccs3)c(=O)c3ccccc23)cc1OCC 587671577 UOEVEODXZZOMFV-UHFFFAOYSA-N 420.490 4.611 0 1 HJAF CCOc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C 587753614 BGPQIMGWZVJMGW-CWTRNNRKSA-N 424.358 4.771 0 1 HJAF CCOC(=O)C[C@]1(CC2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800681 YGCLKCVVCMCOLW-XCLFUZPHSA-N 412.343 4.851 0 1 HJAF COc1ccc([C@H](C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809610 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CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)NC(=N)NC[C@@H]2[C@@]1(C)C[C@H]3O 1857631745 RQEHMIXSAUDXKZ-PVQKCIGPSA-N 413.650 4.983 0 1 HJAF C[C@@]1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 1857743691 NZVCGXAIFBXHCL-UITUQSNXSA-N 403.453 4.955 0 1 HJAF COC1=N[C@H](C)Cc2cc(OC)c(-c3c(C)ccc4ccc(OC)c(O)c34)c(OC)c21 2356611349 TXQACXQOFDYZMD-CQSZACIVSA-N 421.493 4.884 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@@H](C)C=CC=C(C)C)C4=CC=C(C(=O)N1)[C@@H]32 2356653288 IEOHVPIKTTWVQR-PFMPVZHTSA-N 411.586 4.677 0 1 HJAF CC(=O)OCC=C(C)CCC1=C(C)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C 2356768440 POJOUPPDRISOJM-CDNNERCOSA-N 406.563 4.731 0 1 HJAF COc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)Nc2ccccc2)c1 3815555 GVPPAUNFTPWQSI-UHFFFAOYSA-N 415.453 4.540 0 1 HJAF Clc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2 13492080 OGHDWFXSMLKLNB-UHFFFAOYSA-N 417.944 4.731 0 1 HJAF CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cccc(Cl)c2Cl)cc1 27099984 DRWRPFLWKLAFLL-UHFFFAOYSA-N 401.702 4.903 0 1 HJAF CCN(CC)C(=O)c1ccc([C@]2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1 33969118 OKNXWFSWOBEIQA-SANMLTNESA-N 406.570 4.666 0 1 HJAF COc1cc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)cc(C(F)(F)F)c1 82078592 SIRHZJAMPUCIPG-UHFFFAOYSA-N 401.392 4.745 0 1 HJAF C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1)c1ccccc1 82188176 GYHSJQJQIUOBFP-GOSISDBHSA-N 424.508 4.940 0 1 HJAF N[C@@H](CSC(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1)C(=O)O 84710686 MTVKGNPMUCZBPI-NRFANRHFSA-N 411.954 4.971 0 1 HJAF CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1 88346131 TVVSRSDERKNKLW-SFHVURJKSA-N 410.481 4.529 0 1 HJAF Cc1ccc(NC(=S)NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 96937821 LMTSMIQNBKUPBR-UHFFFAOYSA-N 412.518 4.975 0 1 HJAF O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1 101010013 VTWUFVAKJVRFNV-PRXAMGSTSA-N 402.368 4.527 0 1 HJAF CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccncc2)C2=C(O)CCCC2=N1 103996886 JIMXVZIBUKAEOI-QFIPXVFZSA-N 404.466 4.512 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 138546510 ATEWGTOGFJMCPH-HBDLFPIVSA-N 415.662 4.706 0 1 HJAF CSc1ncc2c(n1)CCN(c1cncc(C(=O)Nc3cccc(C(C)C)c3)c1)C2 215910805 KKNTWKQULHAWBX-UHFFFAOYSA-N 419.554 4.532 0 1 HJAF Cn1ccc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cc21 219747790 NTXCJZFNTZRNLL-RUZDIDTESA-N 412.533 4.643 0 1 HJAF COc1ccc(C=O)c2cc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)oc12 586904154 QTEJEUBMNQKCLO-UHFFFAOYSA-N 411.286 4.846 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586997205 VLBTUEIMNQBKIU-UHFFFAOYSA-N 411.202 4.961 0 1 HJAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587154864 UBZSTBAZRYRQFT-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF CC(C)(C)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2n1 587155215 BMDIIWXXBQLQQO-UHFFFAOYSA-N 424.501 4.862 0 1 HJAF COC(=O)c1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c1OC 587241004 URXSLGMNTBODAU-UHFFFAOYSA-N 403.438 4.777 0 1 HJAF CCCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351365 UGLUNRMQKCYQDD-GMAHTHKFSA-N 400.446 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1coc4c(Cl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O 587420276 IDNASMNXESMCIK-JEOXALJRSA-N 403.217 4.597 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(CC(=O)O)cc4)c1)[C@@H](C2)C3=O 587453324 YMGJZJKSQUYMSV-HFZDXXHNSA-N 414.457 4.652 0 1 HJAF C[C@@H](Oc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587523802 PWTWMOTVUAEUQS-CPJLOUKISA-N 408.494 4.774 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccnc1Cl 587552760 SJCJGHOMYCAVFP-DENIHFKCSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1c(F)cccc1F 587559813 ZCAXSFLUFAPGNY-CVDCTZTESA-N 420.371 4.763 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(O)CCCCC1 587608254 KSIGPWPJXRKOSJ-ATIYNZHBSA-N 416.473 4.945 0 1 HJAF Cc1ccccc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658243 MRFJNZAFFWVSHD-UHFFFAOYSA-N 407.445 4.895 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2Br)N1 587676306 GGDIYOGTZDWYHA-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1 587760942 RHFOWMCVUZBNEM-ZSEKCTLFSA-N 414.322 4.921 0 1 HJAF COCCCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587793978 NQVGEBVLNKAUNK-XCLFUZPHSA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(=O)c1ccccc12 587825262 CCXMEIHAYTXWEA-CYBMUJFWSA-N 422.297 4.959 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2nccnc2c1 587859368 WVBWAMZRTBGXLA-UHFFFAOYSA-N 413.264 4.887 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Cl)c2S(=O)(=O)CC)N1 962946317 LEYQJBYUWCNZSY-ORAYPTAESA-N 402.947 4.629 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 963260193 WPRQJJYGJDALET-QHCPKHFHSA-N 413.851 4.899 0 1 HJAF Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccc(C4CCNCC4)cc3)c2)o1 1857569865 MYLJQZYKVBPYHP-UHFFFAOYSA-N 404.466 4.673 0 1 HJAF C[C@H](N=c1nc[nH]c2[nH]c(-c3ccc(CO)cc3)cc12)C12CC3CC(CC(C3)C1)C2 1857628874 SOAUXWJOIIPFCM-WWLATJOISA-N 402.542 4.556 0 1 HJAF CN(C)c1ccccc1C[S@](=O)c1ncc(-c2ccccc2)n1-c1ccccc1 13746227 OAKKLSLQFXANDJ-GDLZYMKVSA-N 401.535 4.913 0 1 HJAF O=c1c2c3c(sc2ncn1Cc1cccc(Cl)c1)C[C@@H](N1CCCCC1)CC3 14961218 AGDCRHXDTOADRS-KRWDZBQOSA-N 413.974 4.503 0 1 HJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 27553490 IMOYQSALPFSZJN-UDYYATQQSA-N 402.506 4.985 0 1 HJAF CCCCCC12CCC(CC1)[C@H](c1cc(=O)c3cc(OS(N)(=O)=O)ccc3o1)C2 27556223 ALTMPIJEWHSPFQ-GXPWMBGSSA-N 419.543 4.620 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C 82142004 XLSRRDOCJLIHOW-FPAYPSAMSA-N 408.546 4.527 0 1 HJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\[125I] 102781221 DQQMDOLPKAVVIE-BLLRVGTMSA-N 422.323 4.928 0 1 HJAF O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(Br)c3)[C@@H]12 102964565 VILJUNOYFPAACM-FUHWJXTLSA-N 401.691 4.775 0 1 HJAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104004262 BWCSMOBFBDLFDD-NRFANRHFSA-N 402.498 4.868 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 105185613 WCZILEKOMSKCAJ-OQMKNBQHSA-N 422.548 4.905 0 1 HJAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)C1=O 138694158 TUZLYZPPKHVOHU-UHFFFAOYSA-N 418.503 4.729 0 1 HJAF Nc1nc(Nc2ccccc2)cc(-c2cc3c4c(c2)Oc2ccccc2N=C4NN3)n1 142898750 NGMGCZQSIUIGJU-UHFFFAOYSA-N 407.437 4.584 0 1 HJAF CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 146043985 SIJIBHRUTSSJLY-PUZFROQSSA-N 418.603 4.500 0 1 HJAF S=C(Nc1cc(Cl)ccn1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 198797418 XOELULXQRNDXGG-UHFFFAOYSA-N 401.750 4.561 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)c1cc2ccccc2s1 299829670 HVMAQSLARBTRND-JOCHJYFZSA-N 412.942 4.818 0 1 HJAF C[C@@H](NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 586988785 QNSNMKYIZSUGHS-OAHLLOKOSA-N 408.457 4.572 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](N1CCSCC1)CCC3 586993867 RGSYWTVJIZILAM-GOSISDBHSA-N 402.519 4.578 0 1 HJAF Nc1ccnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 587064363 RCAHYDVBQQTZGA-UHFFFAOYSA-N 403.873 4.894 0 1 HJAF FC(F)(c1ccccn1)c1nc2c(Br)ccc(Br)c2[nH]1 587089635 WTPGGLLBHRFMRI-UHFFFAOYSA-N 403.024 4.623 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncc(Cl)c4[nH]3)cc2)cc1F 587147675 QHMZKTCOEOGOCR-UHFFFAOYSA-N 408.864 4.758 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357811 OTLBMMRMVIOUNI-ISKFKSNPSA-N 406.409 4.924 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccccc1C(=O)O)(c1ccccc1)O2 587410046 PQBAHCPPSILXFF-DEOSSOPVSA-N 419.502 4.928 0 1 HJAF CCOC(=O)c1sc(SC)c2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587411538 CZSKFQQYRUQKSH-NRFANRHFSA-N 417.552 4.734 0 1 HJAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587424217 YBZYEGAXMUNKJV-YRQJPFQXSA-N 404.293 4.720 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O 587475898 QRMZSTHOXWLNHL-DEOSSOPVSA-N 415.530 4.860 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)[nH]c3ccccc3c1=O)CC2=O 587492003 VQVZZWACZFMHSY-VWLOTQADSA-N 405.494 4.851 0 1 HJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(Cl)cn1 587503791 ZDTRYXAETIQJJV-QHCPKHFHSA-N 407.901 4.989 0 1 HJAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 587587958 OVWOLOUVYMKIGA-JYFHCDHNSA-N 423.424 4.970 0 1 HJAF COc1cc2c(cc1Cl)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587692178 AMPFPSSGDQTQBE-DGIBIBHMSA-N 410.714 4.974 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1 587710804 FHKRMBOUCFNCOV-VPTHRUTESA-N 419.216 4.505 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587758994 DSTBFEJCJPFJQT-PONJGIIJSA-N 417.366 4.860 0 1 HJAF COc1ccc([C@H](C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811383 ZUTPUGWRLXSWPD-JGRMJRGVSA-N 408.311 4.984 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587832834 DDPNCEAPOCRJJS-IGHNWBDASA-N 404.279 4.780 0 1 HJAF CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836179 SJJHSBKCDVKMCS-YEJXKQKISA-N 404.323 4.957 0 1 HJAF COc1ccc2c(OC)ccc([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)c2c1 962558098 AMWJAQXLCUCNLM-ODCWNRFASA-N 407.510 4.840 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccc(O)cc3)cc2)N1 962984964 AHFBBUHYZJONKA-GHTZIAJQSA-N 415.823 4.679 0 1 HJAF COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2NCCc3c(C)ccnc32)c1 963075127 ZUXKTDKTIHXYME-AREMUKBSSA-N 410.521 4.546 0 1 HJAF COc1ccc(Nc2ncnc3c2[C@H](c2ccc(F)cc2)c2c(n[nH]c2C)O3)cc1 1772612267 XTCBZQOVSPOKPE-GOSISDBHSA-N 403.417 4.685 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3cnn4ccccc34)c12 1857639035 DVJRPNQIAWBZSD-UHFFFAOYSA-N 410.437 4.706 0 1 HJAF Cc1ccccc1NC1=Nc2ccccc2N[C@@]12C[C@@H]1CCN3C(=O)CC[C@H](C2)[C@H]13 61958533 DUNPQCSUPVUVOP-NJLIDXMJSA-N 400.526 4.722 0 3 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4055556 MZKPPDBBCUUCCO-FPOVZHCZSA-N 412.848 4.523 0 1 HJAF O[C@H](CCN1CCN(c2ccc3ncccc3c2)CC1)c1csc2ccccc12 13491133 SMGADQUWFYVSES-HSZRJFAPSA-N 403.551 4.695 0 1 HJAF Cc1ccccc1CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O 13743425 FATAFVXRPPSVMH-UHFFFAOYSA-N 421.516 4.645 0 1 HJAF COc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O 14721433 YZWSXDKWBMBIFO-SFHVURJKSA-N 402.443 4.746 0 1 HJAF biogenic Brc1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)s1 21262047 OVBWEKJDUUNTHN-UHFFFAOYSA-N 401.333 4.603 0 1 HJAF aggregator Fc1ccc(-c2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc2-c2ccncc2)cc1 21289965 TZBLUZVIZYBHFL-UHFFFAOYSA-N 414.484 4.777 0 1 HJAF COc1cc2nc(CN(C)[C@H](C)c3cccs3)nc(N3CCCC3)c2cc1OC 23311039 NPSNFEIAWCAXEM-OAHLLOKOSA-N 412.559 4.502 0 1 HJAF O=S(=O)(NCc1cc(Cl)ccc1Oc1ccc(Cl)cc1O)c1ccccc1 28572418 DWDFTXHMEJDKEF-UHFFFAOYSA-N 424.305 4.970 0 1 HJAF O=C(NC1CCN(Cc2ccccc2Br)CC1)c1ccc2ccccc2c1 28821378 NJESONTWMXDCLV-UHFFFAOYSA-N 423.354 4.997 0 1 HJAF COc1ccccc1[C@@H](C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1 38448233 STGPXBMWVQSDIL-AUSIDOKSSA-N 407.554 4.898 0 1 HJAF CC[C@H](c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC 38479936 VHHCNDHHHSLJBK-JOCHJYFZSA-N 412.555 4.502 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 45484743 NMWQKJPLJHWUOT-KYLAJRFBSA-N 410.554 4.795 0 1 HJAF O=C(COc1ccc(-c2ccc(F)cc2)cc1)Cn1ccc2cc(C(=O)O)ccc21 49049684 IUQXUHOWFNJKNG-UHFFFAOYSA-N 403.409 4.794 0 1 HJAF O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(F)c1 95573189 PNWRUVOAQRFYFK-UHFFFAOYSA-N 418.512 4.766 0 1 HJAF COc1cc(N[C@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 169321324 ACGILVOUJMSCRZ-ZWKOTPCHSA-N 400.611 4.839 0 1 HJAF CN[C@H]1C=CC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@@H]2[C@@]1(C)CO 238769243 SUQIYTZXZZJGMZ-QVEMSXDCSA-N 412.662 4.798 0 1 HJAF CC(=O)O[C@H]1C[C@](C)(O)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 238774954 JRJQERYJSFEBBL-XJZYJHQHSA-N 406.563 4.586 0 1 HJAF COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4ccccc4n3)CC1)c1cccn1-2 299829920 VUCGOPZDZHFBHO-UHFFFAOYSA-N 424.504 4.591 0 1 HJAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12 299862058 JCTYQNFVGRNXDM-UHFFFAOYSA-N 421.888 4.618 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586882728 APMQDPCLCFHRCT-MLQVYSHPSA-N 411.141 4.951 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1 586966390 MAMUEKUGDMKAIB-UHFFFAOYSA-N 418.501 4.983 0 1 HJAF Cc1cccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586988889 SFAGKNSAAODKFQ-UHFFFAOYSA-N 408.457 4.950 0 1 HJAF Cc1c(-c2ccc(OCC(=O)O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989912 SFBAEMKPBADZQF-UHFFFAOYSA-N 411.413 4.591 0 1 HJAF COc1cccc(-c2ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(Cl)c2)c1 587052322 OAGMARNXMPOGMM-UHFFFAOYSA-N 414.870 4.806 0 1 HJAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5c(cc4[nH]3)OCO5)n2n1 587120006 NFWAKYHNUBWHHH-UHFFFAOYSA-N 423.354 4.687 0 1 HJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587195292 GGQKAHIPRCATSG-UHFFFAOYSA-N 407.396 4.670 0 1 HJAF Cc1cc(Cl)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587327820 HRMGYOQTHNQRMC-XXBNENTESA-N 423.827 4.700 0 1 HJAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587330155 NOULVVPMEPTOQV-DENIHFKCSA-N 412.800 4.524 0 1 HJAF CC1(C)Cc2nc(O)ccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345931 KPFQXQQNWFZDHI-DHLKQENFSA-N 419.452 4.859 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@H](C(=O)O)c1ccccc1)CC2=O 587470579 LMBWRBSAKYHLIT-VXKWHMMOSA-N 405.450 4.527 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCCO2 587551504 GBKRGDXRHYATFJ-UGKGYDQZSA-N 424.836 4.910 0 1 HJAF Cc1ccc(/C(=C/N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574826 ZATJCJOXHXSXEF-CYSIRVIFSA-N 401.462 4.634 0 1 HJAF COc1ccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)no2)cc1 587586577 KSDLRNRONOBMGS-XUZZJYLKSA-N 415.401 4.759 0 1 HJAF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627792 JUQVDQYIWJDHIW-UHFFFAOYSA-N 416.277 4.623 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)CC(F)(F)F)CC2)N1 587709007 HDVOSZKRFDQNNG-FFLHNBHYSA-N 423.292 4.754 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587712166 JOPSPZHGWWZGIQ-PWJLMRLQSA-N 403.217 4.934 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1 587722536 SILGCKIEKGPMNG-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587789148 AFWDMJRMXQTKPC-FIKIJFGZSA-N 417.322 4.616 0 1 HJAF CCOC(OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789821 DPNRCCQJQQHSAW-LHSJRXKWSA-N 422.338 4.765 0 1 HJAF Cc1cc(Br)ccc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587924366 UVGSBXDCEYOFNT-UHFFFAOYSA-N 423.357 4.920 0 1 HJAF COc1ccc2c(c1O)OC(c1ccccc1)=C[C@]21NCCc2cc(Cl)ccc21 963379302 HDHXMEZIHDXBBV-XMMPIXPASA-N 405.881 4.877 0 1 HJAF C[C@H](CC(N)=O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772654605 ZAAJXLLUBZAIBM-CYBMUJFWSA-N 415.419 4.962 0 1 HJAF C[C@@H](N=c1c(C(N)=O)c[nH]c2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1 1857592779 KZJLHYQNEJSYNN-CQSZACIVSA-N 402.885 4.644 0 1 HJAF CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763282 YHBOTWQRAUADGI-JOCHJYFZSA-N 424.516 4.542 0 1 HJAF C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccc(Br)cc3c21 17213510 YFXXSWVTLMFPCC-PSZVPEGOSA-N 409.283 4.711 0 1 HJAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(N)=O)CC1 20806868 VKPLGASLWOZHOP-SJORKVTESA-N 414.590 4.828 0 1 HJAF Cc1cccc2c(=O)[nH]c(C3=C[C@H](N4CC=C(c5ccc(F)cc5)CC4)CC3)nc12 28954728 AHSJHFVRKREMRT-OAQYLSRUSA-N 401.485 4.706 0 1 HJAF CC1(C)NC(c2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)[nH]3)cc2)=NO1 36222961 YBMZQNARAISNJV-UHFFFAOYSA-N 413.456 4.962 0 1 HJAF COc1ccc([C@](C)(OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 40918284 KDMRETSUDYJFOO-BVSLBCMMSA-N 422.491 4.702 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@H]1CC[C@@H](C2)N1 73198256 MEFVQAOSGXKVKA-SUMWQHHRSA-N 408.548 4.575 0 1 HJAF CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1 88346132 TVVSRSDERKNKLW-GOSISDBHSA-N 410.481 4.529 0 1 HJAF O=C(N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F 95607165 FNXIHIMNVBDVAC-IBGZPJMESA-N 422.475 4.515 0 1 HJAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCCC5)cc34)cn2)CC1 96274078 JMWLMRFTIKZMEL-UHFFFAOYSA-N 407.518 4.505 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3c(F)cccc23)CC1 201537544 BCSJARIEIKKJHL-UHFFFAOYSA-N 402.466 4.582 0 1 HJAF C/C=C(\C)C(=O)O[C@H]1CC[C@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)/C(C)=C/C 238765195 YZUPVNWKUPXHAT-CNGNAUNWSA-N 400.515 4.859 0 1 HJAF CCCCOc1cc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2cc1Br 586924640 DJZAYXGEUPJBFQ-UHFFFAOYSA-N 423.332 4.575 0 1 HJAF C[C@H](SCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586963404 MVYCPFCIJMMWIH-NSHDSACASA-N 400.447 4.851 0 1 HJAF O=C1C[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)c2c(Br)cccc2O1 587002480 GQNISNGHFPBJIJ-CYBMUJFWSA-N 411.299 4.840 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Cl)nc3[nH]1)N2 587033283 YGFLSTMHYITWMH-DKBJHAQFSA-N 405.936 4.738 0 1 HJAF O=C1CCc2cc3nc(-c4cccc(NC(=O)c5ccc(F)cc5)c4)[nH]c3cc2N1 587163766 ONZFYJRAUOCJMZ-UHFFFAOYSA-N 400.413 4.506 0 1 HJAF Cc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165966 JGNBSPNNOIXLQW-UHFFFAOYSA-N 404.489 4.515 0 1 HJAF C[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174112 MJZGEIGYSQDIHU-XMMPIXPASA-N 402.425 4.909 0 1 HJAF Cc1cnc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587343746 DIELBPBXDPLDPX-URXFXBBRSA-N 402.425 4.990 0 1 HJAF CCn1ncc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587344728 YEBXRPRXHCEHFC-LADGPHEKSA-N 408.473 4.967 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O 587485708 QLWJACSNNDOGDQ-OWJWWREXSA-N 412.482 4.553 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OC(F)(F)F)c1 587554982 JZEPVKYNVSIHAC-YLJYHZDGSA-N 418.323 4.699 0 1 HJAF COc1c(F)cc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556821 KKYZEARMLAXHIK-ICSRJNTNSA-N 412.388 4.642 0 1 HJAF CC[C@]1(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1 587747721 RMGZPWGSAKQQJK-WFGDNEMVSA-N 419.338 4.899 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587761552 PVNIZUQNEQVOHE-ZLENFMNRSA-N 413.331 4.563 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1 587826178 CWDAOVSEBKKBQQ-WVDJIFEKSA-N 422.294 4.630 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)nn2C)N1 587850682 DWKBIAWZFWUTOW-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF O=C(O)CCCCCCCCCCCCc1nc2nc(Br)c[nH]c-2n1 587957111 PYAONOSRLBSOEL-UHFFFAOYSA-N 411.344 4.985 0 1 HJAF CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)NC(C)(C)C)cc21 653795645 NEOLHQYVWBMLJG-UHFFFAOYSA-N 422.573 4.712 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(COc1cccc(Br)c1)N(C)[C@@H](C)C2 962639420 WBQBBWPFFHOCPK-LHSJRXKWSA-N 420.347 4.637 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@@]2(Cc3ccccc3Nc3ccccc32)N1)C(F)(F)F 962720138 ZBJSPUCINAIQEL-FYYLOGMGSA-N 408.423 4.876 0 1 HJAF C[C@@]1(c2cc(Br)cnc2F)c2ccsc2CCN1Cc1cccnc1 962995971 NWYQFTRSDRQVMH-IBGZPJMESA-N 418.335 4.762 0 1 HJAF O=C(Nc1ccc(-c2ccnc3[nH]ccc23)s1)[C@@]1(Cc2ccccc2)CCCNC1 1772625049 PSERNLHJMLNQPJ-XMMPIXPASA-N 416.550 4.842 0 1 HJAF C[C@]12CC[C@@H](O)C[C@@]1(C)CC[C@]13CC[C@H](C4=CC(=O)OC4)[C@@](C)(CC[C@@]21C)C3=O 2356703550 JERJZGUDOYHMFI-GRUBLHMHSA-N 400.559 4.593 0 1 HJAF COC(=O)CCC(=O)OC[C@]12CC[C@H](C)[C@@](C)(CCC(C)=CCO)[C@@H]1CCC=C2C 2356716253 IDWQXZUVIQTROK-SJKGNFENSA-N 420.590 4.981 0 1 HJAF CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)c1 20869164 QGDVAISUVHEJPB-IBGZPJMESA-N 413.587 4.625 0 3 HJAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(Cl)cc2)cc1 3814607 DWOMXLCOZHJDME-UHFFFAOYSA-N 400.809 4.615 0 1 HJAF O=C1OC(c2ccc(O)c(F)c2)(c2ccc(O)c(F)c2)c2cc3ccccc3cc21 6584544 TWXPTVBPVYTEDZ-UHFFFAOYSA-N 404.368 4.992 0 1 HJAF COc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCc4cccnc4)ccc23)cc1 6748688 PCMWXHCQNQSYOX-UHFFFAOYSA-N 414.490 4.550 0 1 HJAF O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1ccco1 13489823 ZHQAGDYDOOCGBH-UHFFFAOYSA-N 403.278 4.997 0 1 HJAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)C(C)(C)C)nc21 26404212 UJJMBDRCOCNYID-OAHLLOKOSA-N 402.930 4.623 0 1 HJAF O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)N(CC1CC1)[C@H](c1ccccc1)CO3 28953810 JMXLIPHCMSXPFF-SFHVURJKSA-N 400.400 4.897 0 1 HJAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1 29407940 FQZXNMTTYNRQMB-DOOVEFGSSA-N 411.256 4.791 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccccn2n1)C(F)(F)F 64437022 HGZWFFDLJPIVDH-HXUWFJFHSA-N 410.411 4.686 0 1 HJAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(F)c(F)ccc5[nH]4)c3c2)c1C 72177158 RZMRDMPHQSCREP-UHFFFAOYSA-N 418.451 4.864 0 1 HJAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NCc2ccco2)cc1 95588697 MFMFPPBXXOYIFD-UXKPLKHMSA-N 419.477 4.805 0 1 HJAF Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCN(C(C)C)CC1 96938971 XXUUDEDKFQANTJ-UHFFFAOYSA-N 410.512 4.652 0 1 HJAF CCCCN(c1sc2ccccc2c1OC)S(=O)(=O)c1ccc(C(=O)O)cc1 115231584 XEHSOAJUOMTIEW-UHFFFAOYSA-N 419.524 4.604 0 1 HJAF Cn1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccccc3)csc21 146387817 WIWOJZVQJHZULE-UHFFFAOYSA-N 424.614 4.631 0 1 HJAF Brc1cnc(NCCCc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1 203005338 IRHJIAQZIAFXMR-UHFFFAOYSA-N 413.323 4.628 0 1 HJAF COc1cccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 299809341 MMNBLWWOPKBGPM-CDXJDZJCSA-N 422.352 4.876 0 1 HJAF Cc1c(-c2nc3c(Br)cc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029609 QWNZZAZSRFNVIE-UHFFFAOYSA-N 419.279 4.614 0 1 HJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)cc1F 587104053 QKWGELZBUOANCB-UHFFFAOYSA-N 400.384 4.906 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587112231 DUMXFFGWQNGMIJ-JTQLQIEISA-N 419.632 4.635 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(C)cc2[nH]1 587181600 WPBQFOLYZYSIIZ-VIFPVBQESA-N 414.678 4.964 0 1 HJAF O=C(O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358763 XGGYAHVGTVLELJ-BVOCHNGXSA-N 410.441 4.540 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccccc1F)[C@@H](C2)C3=O 587425645 FZHMOGCJISEJRR-UUOWRZLLSA-N 420.436 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1C(C)(C)C)[C@@H](C2)C3=O 587433439 YFCAHMNYWXWQJS-FDDCHVKYSA-N 402.494 4.726 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCN4CCC[C@@H](C)C4)c1)[C@@H](C2)C3=O 587438523 PRLPXUYTKPIOTC-DRKZVIBPSA-N 421.537 4.685 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCC(CNC(=O)OC(C)(C)C)CC1)CC2=O 587467634 BIVXNDWOKQUTOL-UHFFFAOYSA-N 403.519 4.764 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CCCCN1C(=O)c3ccccc3C1=O)CC2=O 587481038 XMJXHPDLBWMSKC-RUZDIDTESA-N 421.493 4.535 0 1 HJAF COCOc1ccc([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515799 RPESIXDJEWTHRL-SANMLTNESA-N 415.489 4.852 0 1 HJAF C[C@@]1(c2occc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537915 BTAZPMHHNXTYIG-DNVCBOLYSA-N 401.212 4.625 0 1 HJAF Cc1oc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587538712 FYHKNPRJYFJJSS-APWZRJJASA-N 401.212 4.759 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cccc(F)c1 587569242 HCWBSZBCJZZFNZ-CVDCTZTESA-N 402.381 4.624 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2N)N1 587678593 OQRXQOVXPRGFGE-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587701260 CEGLZFJOEUVOPM-ABKXIKBNSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)F)N1 587717902 HFBDYKYLZGRGPT-WLRWDXFRSA-N 412.249 4.856 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 587732310 JNXCBAVVEGRTTI-OVWNDWIMSA-N 404.258 4.741 0 1 HJAF Cc1cccc([C@@]2(c3cnc[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587794234 UIHCQGRIYACDDF-ZSEKCTLFSA-N 414.322 4.754 0 1 HJAF COc1ccccc1C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810368 WYLPVAIEZIWHSD-FKIZINRSSA-N 406.295 4.619 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3cnc(Cl)nc23)N1 587854507 CGDVKIDOBLFXKB-MLXNANBUSA-N 412.715 4.870 0 1 HJAF CC(C)[C@]1(c2ccc(Cl)s2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983020 YIEAFELRSABMAA-APPDUMDISA-N 406.281 4.832 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 963257389 JKVRCDJUNWGVCA-MWTRTKDXSA-N 420.981 4.889 0 1 HJAF O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)c(Cl)c1 1857638327 PUOVZWHGCKZBNN-UHFFFAOYSA-N 414.830 4.893 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](O)[C@@]2(C(N)=O)CC(=O)O[C@H]12 2356792236 JMHANOYCULWORK-PWWKTKHKSA-N 415.574 4.664 0 1 HJAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 5438415 OZZAYJQNMKMUSD-VVUHAGMXSA-N 416.558 4.931 0 3 HJAF in-vitro C[C@@H](NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nccs1 12092156 VTIIPFFHKWRFKU-OAHLLOKOSA-N 404.495 4.670 0 3 HJAF CCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@H](C)[C@@H](C)C2=O 14685291 IGEOTNLFIQJPLF-RBSFLKMASA-N 404.503 4.868 0 1 HJAF biogenic Cc1sc(N)c(C(=O)c2ccc(I)c3ccccc23)c1C 27890757 GDEHDKWSPMHCDM-UHFFFAOYSA-N 407.276 4.936 0 1 HJAF c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nnn[nH]2)c1 28220556 JEIMFLGAWUTGMF-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF Fc1ccc(N2CCN(CCCSc3ccc(Br)cc3)CC2)cc1 28886715 FCIZFQSFDFXKBK-UHFFFAOYSA-N 409.368 4.893 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([C@H]5NCCc6ccccc65)C[C@@]43C)[C@@H]1CC[C@@H]2O 40972593 KTGOKLQEHMLMDT-NUXNXMSBSA-N 423.641 4.864 0 1 HJAF COC1=C[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45245460 FDWHRNRDGMYDCB-XERREHJYSA-N 403.448 4.628 0 1 HJAF C[C@H]1/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C/CC(=O)N[C@H]1c1ccccc1 66166846 NRHNQHSEKZNYCZ-XMBVEOIBSA-N 402.538 4.880 0 1 HJAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1C 72177992 AEXIXPZEPSQETP-UHFFFAOYSA-N 418.451 4.864 0 1 HJAF COc1cc(OC)cc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)c1 82067520 ULAMHURFMWXZBZ-UHFFFAOYSA-N 405.498 4.745 0 1 HJAF CO[C@H]1Cc2c(csc2-c2cccnc2)C2(CCN(Cc3ccccc3)CC2)O1 95556327 FUSRLQUSISQRIG-JOCHJYFZSA-N 406.551 4.847 0 1 HJAF O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nc3ccccc3[nH]1)CC2 96173066 MYGHHCVTMJHSJV-UHFFFAOYSA-N 408.933 4.626 0 1 HJAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nncn4C=N[C@H]32)cc1 98082683 GYSZPADNYBFYBK-NOZRDPDXSA-N 419.488 4.675 0 1 HJAF CC(C)NC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1 142505321 PTEQGNRCZQGMPZ-UHFFFAOYSA-N 423.366 4.612 0 1 HJAF Cc1ccc(-c2csc(NC3=NN(C(N)=S)[C@@H](c4ccc(C)cc4)C3)n2)cc1 169350074 ZPRDHRLAAARVIF-GOSISDBHSA-N 407.568 4.843 0 1 HJAF Cc1cc(Oc2ccc3nc(COc4ccc(C(=O)O)cc4)n(C)c3c2)cc(C)c1N 204535902 KTFVDXKHPUPKDE-UHFFFAOYSA-N 417.465 4.842 0 1 HJAF Cc1cc(=O)oc2cc(-c3ccc(Cl)cc3)c(OS(=O)(=O)C(F)(F)F)cc12 205074424 JELREOYGGMLRTN-UHFFFAOYSA-N 418.776 4.650 0 1 HJAF CN(C)Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 219009888 HQSPBADGOXQKRA-UHFFFAOYSA-N 411.553 4.973 0 1 HJAF CC(=O)OC[C@]12C(C)=CCC[C@H]1[C@](C)(C[C@@H](OC(C)=O)c1ccoc1)[C@@H](C)C[C@H]2O 238782418 KSDOXWOAQAJWSO-NQTWHEGUSA-N 418.530 4.587 0 1 HJAF C[C@H]1C[C@H]2CC(=O)N[C@H](c3ccccc3)[C@H](C)C=CCC(=O)N2[C@@H]1c1ccccc1 254043349 KZQIDWVGSIGTGJ-OUXYKJIXSA-N 402.538 4.808 0 1 HJAF CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C(\C)I)cc1)N2 261096586 FMZWUJWDVRSFBN-KFPKJKKDSA-N 409.311 4.686 0 1 HJAF C[C@H]1[C@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 299879740 LEAXMMRZYWLUQL-NVEXJGOOSA-N 422.548 4.683 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 586915807 IGXTYRIUKVWUQU-DJJJIMSYSA-N 403.251 4.681 0 1 HJAF Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)c1 587015215 GVTVWMYSEYYKAE-UHFFFAOYSA-N 414.281 4.636 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)OC)c2[nH]1 587035338 SGZMGTPYAKNYSO-MRXNPFEDSA-N 407.495 4.835 0 1 HJAF CCn1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587332476 QVIILMJIZOYNBG-GHTZIAJQSA-N 400.837 4.675 0 1 HJAF CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(N)cc2O1 587338704 RENQXLMJXJWKAF-ISKFKSNPSA-N 403.409 4.664 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)cc(Cl)nc1Cl)[C@@H](C2)C3=O 587421126 NULVTQNPYVNLQS-AYVTZFPOSA-N 404.171 4.905 0 1 HJAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O 587451587 JXJJVNBKHSBIGB-YPMLDQLKSA-N 413.278 4.571 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(F)cc1F)CC2=O 587465593 IXFHXYSVXKJZDV-QFIPXVFZSA-N 422.399 4.576 0 1 HJAF O=C(Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NC1CC1 587516716 UUHLVVDFBLRUJS-DEOSSOPVSA-N 414.505 4.505 0 1 HJAF C[C@@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554396 XGQDMLDLUSLXBX-AVRDEDQJSA-N 406.825 4.799 0 1 HJAF Cn1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 587613805 QJRFMWCKTGNAHC-UGKGYDQZSA-N 404.447 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(C(F)(F)F)N1 587706437 QAICKVPPTIOCIM-QFYYESIMSA-N 403.217 4.518 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2F)N1 587732470 MNRFJZIGPBDWJX-KWKYVRJSSA-N 418.079 4.508 0 1 HJAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 587755360 OYPHJBSDZSBGDP-ZUOKHONESA-N 400.295 4.706 0 1 HJAF CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587792555 OUHLOQHVCMYAEK-CFMSYZGJSA-N 423.326 4.508 0 1 HJAF CCCc1c(C(=O)N(CCC)CCC)c2ccccc2n2cnc(C(=O)OCC)c12 653833238 PAENJAFAJCOEPE-UHFFFAOYSA-N 409.530 4.879 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(CCC(=O)O)c1cccc(Cl)c1 962372887 KIOYMPMRHGARNO-JOCHJYFZSA-N 414.958 4.907 0 1 HJAF FCCOc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962649271 ZTIPKTLYHHOJEF-JYFHCDHNSA-N 402.513 4.871 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@H]([C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c3cccc1c32 963039550 YDKNJCPQROEGNU-LDBYXDLTSA-N 415.578 4.501 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]31c2ccccc2C(=O)[C@@H]1c1ccc(C)cc1 963072447 ZCQCYXLCSBHUQD-LSYYVWMOSA-N 420.512 4.921 0 1 HJAF Clc1cc(Cl)c2c(c1)[C@@H](c1cc(Br)c3c(c1)OCO3)NCC2 963107948 KPGKKNFPRDRSOM-OAHLLOKOSA-N 401.087 4.720 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2c(-c3ccccc3)cc3ccccn23)N1 963223342 AGBOZUADRAXHES-LOSJGSFVSA-N 419.484 4.843 0 1 HJAF Cc1ccc(CC[C@@]2(c3ccccc3F)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963553062 RDQWVCLXUBGIIV-NVQXNPDNSA-N 419.496 4.623 0 1 HJAF CCCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)[nH]3)c2c1N 1772593884 PKWNVJACGRHTKQ-HHHXNRCGSA-N 417.585 4.608 0 1 HJAF CC1=C[C@H](CNCCc2cnc[nH]2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356301174 WVMFSTKXCILBBH-QZNHQXDQSA-N 419.573 4.689 0 1 HJAF CCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O 2356535317 UXMDQRKTSNQRJU-BFHYXJOUSA-N 402.487 4.925 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]3C1(C)C 2356626549 BUDAMNIUJPUZEA-DLTNVAGBSA-N 416.558 4.650 0 1 HJAF CC(C)COC(=O)N1CCC[C@H](c2cc(C(=O)Nc3ccccc3Cl)no2)C1 61904077 YVHNEBSYLONOQU-AWEZNQCLSA-N 405.882 4.552 0 3 HJAF COc1cc(Nc2ccn3nc(-c4ccccc4Cl)cc3n2)cc(OC)c1OC 61927968 WIEYMDVMRGJQDT-UHFFFAOYSA-N 410.861 4.819 0 3 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCc1ccccc1N 4080515 OXAANWVRTSKPMO-BJKOFHAPSA-N 423.557 4.998 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214108 DDDZTNYHZSHMGG-YPIGPJMWSA-N 416.562 4.519 0 1 HJAF Cc1ccnc(NC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)c1 4904705 ISOZBPGKSLOYQL-UHFFFAOYSA-N 400.482 4.564 0 1 HJAF CCN1CCc2cc(Br)cc([C@H](c3ccc(F)cc3)n3ccnc3)c21 13489545 PLODWZXPMXDIRZ-IBGZPJMESA-N 400.295 4.805 0 1 HJAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(F)cc1 36189117 QRXQUYSQEGNIRQ-MUNABGDISA-N 410.533 4.678 0 1 HJAF CC1(C)C[C@]2(CN(Cc3ccccc3)CCO2)c2cc(Br)ccc2O1 40848424 UDQTWLZXSSQPTB-NRFANRHFSA-N 402.332 4.738 0 1 HJAF Fc1ccc(OCc2cc3c(OCCCNCc4cccnc4)cccc3[nH]2)cc1 64503707 VEPKRBZDHMSYBW-UHFFFAOYSA-N 405.473 4.840 0 1 HJAF FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ncccc2Cl)CC3)cc1 64549959 BHSLYPQDMMBFGB-UHFFFAOYSA-N 419.838 4.893 0 1 HJAF COc1ccc(Oc2cc(Nc3cc(F)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1 73161957 LRYJDPKREAPZHH-UHFFFAOYSA-N 421.350 4.883 0 1 HJAF O=C(Nc1ccc(F)cc1)c1csc([C@@H](O)c2cccc(OC(F)(F)F)c2)n1 82079027 ATLSPQGJINACFW-HNNXBMFYSA-N 412.364 4.515 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)o1 82140443 LJYSQLWMSFCOKT-HOTGVXAUSA-N 422.504 4.914 0 1 HJAF FC(F)(F)c1cccc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)c1 82179043 UUBQTFZQZAVUSD-INIZCTEOSA-N 417.435 4.514 0 1 HJAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176752 XYEYHPJZKJCLOW-MRXNPFEDSA-N 409.404 4.856 0 1 HJAF Fc1ccc2[nH]cc([C@H]3CC[C@H](NCCOc4cccc5c4OCCO5)CC3)c2c1 101030956 RHNPGMRUWOQALX-MAEOIBBWSA-N 410.489 4.773 0 1 HJAF O=c1ccc2ccc(OCCCCOc3c4ccoc4cc4oc(=O)ccc34)cc2o1 138030184 KXOBAZGZVFEVMY-UHFFFAOYSA-N 418.401 4.884 0 1 HJAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cc1)N1Cc2ccncc2C1 166035523 QOWBDLOBPRCBCV-UHFFFAOYSA-N 424.504 4.559 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@]12C 169323966 LGKOHXBHQYUHPI-SVWLCPBZSA-N 404.595 4.554 0 1 HJAF CN(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253636131 OKVPDEXTEJGPIM-SZHFJLEUSA-N 406.570 4.563 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4cc(Cl)c(F)c(F)c4[nH]3)n2C)cc1 586964880 BBZSEKMAAURTQD-UHFFFAOYSA-N 405.861 4.891 0 1 HJAF CCOc1cc(/C=C\c2nc3cc(Cl)cnc3[nH]2)cc(Br)c1OC 586978473 UEISTRIHDMUPGO-PLNGDYQASA-N 408.683 4.952 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587021247 GPWFIYAJWXFPBJ-UHFFFAOYSA-N 414.284 4.738 0 1 HJAF Cc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073532 JPEPKQFPIBRMOU-UHFFFAOYSA-N 407.783 4.730 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084230 KCMCMMWCIXQPJB-UHFFFAOYSA-N 420.694 4.630 0 1 HJAF Cc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1C(F)(F)F 587094501 ACEKZOCIRUXURF-UHFFFAOYSA-N 422.350 4.774 0 1 HJAF Fc1cc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1-c1ccccc1 587145233 JIJVLCHTXPOAAI-UHFFFAOYSA-N 401.485 4.792 0 1 HJAF Cc1nccc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 587179519 XCXSURORRABYIQ-UHFFFAOYSA-N 403.145 4.557 0 1 HJAF COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587349672 IXIONHIYAAAGDZ-ZCYQVOJMSA-N 422.452 4.909 0 1 HJAF COc1cc(C)cc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356154 IUQXGNFDEDRUTP-DHLKQENFSA-N 420.436 4.885 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C=O)cc1 587398289 DIBFVNSJRBYBIK-DEOSSOPVSA-N 417.461 4.684 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2ccccc2F)nn1 587658142 IADZMOCDCISORE-UHFFFAOYSA-N 412.399 4.788 0 1 HJAF Cc1oc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677882 JDYVHCAOESAYKD-NZFNHWASSA-N 403.089 4.876 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)nc2)N1 587713744 UNZFIOJHLVDIOA-FVMDXXJSSA-N 419.216 4.548 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CCc2ccncc2)N1 587752394 CSBXCXLMSKXUKW-SZNDQCEHSA-N 414.322 4.651 0 1 HJAF Cc1nccn1-c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587752439 DUUYNAHACVYVGL-ASSNKEHSSA-N 414.322 4.880 0 1 HJAF Cc1nccn1-c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753081 HOYKPKPSEACVKV-FKIZINRSSA-N 400.295 4.706 0 1 HJAF CC(=O)n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587755575 HVHFMPFTRUBFJR-GIPWTMENSA-N 401.279 4.827 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC3CCCCC3)n2)N1 587767401 YWLSZRIHEHNIIA-RNODOKPDSA-N 406.343 4.989 0 1 HJAF Cc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587769234 NLKQAGGSAFFZGF-HNNXBMFYSA-N 403.339 4.927 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C3OCCO3)c2)N1 587829310 BRSKYLGFSWMWEK-XCLFUZPHSA-N 420.322 4.842 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)c(Br)c1 587870610 FEVLFQUIHXFTFY-UHFFFAOYSA-N 407.214 4.678 0 1 HJAF COc1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2C)c(OC)c1 587929009 JNIGSOXZDDUSBR-UHFFFAOYSA-N 400.438 4.804 0 1 HJAF CN(C)c1ccnc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)n1 1772590365 FQFJXRMBQOWXCB-UHFFFAOYSA-N 401.392 4.872 0 1 HJAF Cc1nnsc1C(=O)Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1772602616 PRIPWZDZWWCPCG-UHFFFAOYSA-N 418.309 4.804 0 1 HJAF COc1ccc(-c2cn3cc(C4=CCN(C(=O)C(C)(C)C)CC4)ccc3n2)cc1OC 1857617168 OGQPLKKPAXWAMA-UHFFFAOYSA-N 419.525 4.680 0 1 HJAF O=C(CN1C=C[C](Cc2ccccc2)C=C1)c1ccc(I)cc1 2356848238 GHPFEWNYQRRCTD-UHFFFAOYSA-N 414.266 4.634 0 1 HJAF C[C@@H](c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)N(O)C(N)=O 4617913 JVMAHSCWJIZBJE-AWEZNQCLSA-N 417.444 4.776 0 1 HJAF in-vivo C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/Nc3ccccn3)CC[C@]12O 13757538 MXGUMKWNOPJDPX-PLHRFQAOSA-N 411.590 4.614 0 1 HJAF CC(C)c1cc(-c2ccc(F)cc2)c(/C=C/[C@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)n1 26746674 FIWPDBJRYNVMLJ-NDUHVBCRSA-N 415.505 4.734 0 1 HJAF O=C(Nc1ccccc1NC(=O)C1=CCCC1)OCC1CCN(c2ccncc2)CC1 28526625 MVYKKWHNPQLOSR-UHFFFAOYSA-N 420.513 4.596 0 1 HJAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36153105 AMMUGGRFIMMQNM-FRYARZSHSA-N 416.650 4.971 0 1 HJAF C[C@]12CCC(=O)C(Cl)=C1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 40719825 WOERMUCACCLPAD-SPLNFCKLSA-N 400.946 4.872 0 1 HJAF CCCCCCSc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 43060212 DPNLMDGLWTZCNU-UHFFFAOYSA-N 417.402 4.670 0 1 HJAF CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](c2cccs2)c2c[nH]nc2N1 64447258 HWNSKMMGRGNPRR-INIZCTEOSA-N 404.417 4.960 0 1 HJAF CCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F 82151014 RNMHXJQZPFZHMU-UHFFFAOYSA-N 406.505 4.776 0 1 HJAF CC(=O)OC/C=C(/C)CCC1=C(C)[C@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]12C 139556861 POJOUPPDRISOJM-GRSROATQSA-N 406.563 4.731 0 1 HJAF COc1ccc(C)cc1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 219451072 BIKTYDFBMSQETH-QGZVFWFLSA-N 420.387 4.987 0 1 HJAF O=C(NCc1c(Cl)cc(Cl)cc1Br)[C@@H]1CCc2ncsc21 223964014 IEMLGYNUDZIXIM-MRVPVSSYSA-N 406.132 4.559 0 1 HJAF Cc1nc2ccc(N[C@H]3CC[C@H](O)CC3)cc2n2c(-c3ccccc3Cl)nnc12 261127503 KNIOZKBZHBPMPJ-KOMQPUFPSA-N 407.905 4.622 0 1 HJAF CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCC3(CCCCC3)CC2)cc1F 261139831 MVOQECAMDNWMRA-UHFFFAOYSA-N 423.550 4.664 0 1 HJAF CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2(=O)=O 299854429 YVKXVUABTJSMKC-MRXNPFEDSA-N 402.585 4.567 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 586962109 UQUMIZDQWUDUDB-VMDGZTHMSA-N 417.481 4.536 0 1 HJAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586983685 HISYHGGRGNFEGB-GFCCVEGCSA-N 402.189 4.726 0 1 HJAF CCn1cc(Br)c(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)n1 587001254 VHPVPNGAPHQHGB-UHFFFAOYSA-N 411.303 4.712 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587088393 ZQKDVJXRRBTVOJ-UHFFFAOYSA-N 404.651 4.914 0 1 HJAF Nc1c(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1F 587134782 MVENPDRCTGVREZ-UHFFFAOYSA-N 403.024 4.615 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 587149602 HVYCXTNLMMJOII-MRVPVSSYSA-N 411.202 4.530 0 1 HJAF C[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587155656 JPMLNLWVAWPQGZ-KRWDZBQOSA-N 408.658 4.909 0 1 HJAF COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1F 587230404 UWPXIDRFYUBYQA-UHFFFAOYSA-N 412.465 4.675 0 1 HJAF CC(C)CCOc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248390 OPZWAYOLCNIFFA-UHFFFAOYSA-N 418.291 4.698 0 1 HJAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354322 QJNGCKGNFJHUCF-KCNUAFHQSA-N 410.441 4.540 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4nc5ccccc5[nH]4)o1)[C@@H](C2)C3=O 587454124 WDMIZSIFULCRNC-ZSEKCTLFSA-N 404.447 4.804 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(Br)ccc31)CC2=O 587458276 RAIOSKCERSMHFO-HXUWFJFHSA-N 401.256 4.874 0 1 HJAF COc1nccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1NC(=O)C(C)(C)C 587508216 AAVPYQXFAZRGCT-LJQANCHMSA-N 408.498 4.660 0 1 HJAF NC(=O)c1ccccc1OCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587510904 MKNSHLNYHDTSNZ-QHCPKHFHSA-N 417.461 4.543 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C1\CCCO1)c1ccccc1 587608368 KLBPVRUJSYGXFY-BBIJOSLGSA-N 400.430 4.944 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COCC(F)(F)F)o2)N1 587712378 PFIPRGVCPCIGQG-ABKXIKBNSA-N 422.216 4.884 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(N)c2)N1 587746668 NQJUMWGPFSNFDY-PEBXRYMYSA-N 411.318 4.997 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(NC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 653671242 VIGBNNIFLXXDSE-LBPRGKRZSA-N 404.499 4.725 0 1 HJAF CO[C@@H](C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)[C@H]1CCCN1C 653679757 DNTTVASNLYWRSO-IRLDBZIGSA-N 422.598 4.684 0 1 HJAF Clc1cc2c(cc1[C@H]1c3ccccc3C[C@@H]3CN(c4ccccc4)CCN31)OCO2 962628790 DAYVGWZNLJDVJA-KBMIEXCESA-N 418.924 4.905 0 1 HJAF COc1cc2c(cc1OC)[C@](C(F)(F)F)(C(Cl)(Cl)Cl)N(C)[C@@H](C)C2 962637982 UPRKUVSPEDDIGQ-ISVAXAHUSA-N 406.659 4.708 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@@](c2cccnc2)(c2c[nH]c3ccccc23)N1)C(F)(F)F 962728676 FKPXQFWAQMXORT-GGAORHGYSA-N 421.422 4.501 0 1 HJAF O=C(O)c1cccc2c1CCN[C@]2(CC(=O)c1cccc2ccccc12)C(F)(F)F 963118251 AXFKCAZMZIMIBX-QFIPXVFZSA-N 413.395 4.714 0 1 HJAF O=C(Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1 1857610440 HUGPPWFREWMGFZ-UHFFFAOYSA-N 413.417 4.602 0 1 HJAF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3C[C@@H](O)C(C)=C[C@@H]3O2)O1 2356495139 GYVVQYFUUGEIMA-KJWQXZETSA-N 400.559 4.755 0 1 HJAF COc1ccc2c(c1O)N(c1ccccc1)[C@@H]1CC[C@]34CCCN5CC[C@@]21[C@@]53OCC4 2356561534 GWUGNKKPSKDRBY-GGLXGSTNSA-N 418.537 4.555 0 1 HJAF CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1ccco1 61928820 UNHHEHUPJRFYCP-UHFFFAOYSA-N 409.873 4.999 0 3 HJAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485036 WAOGRRHDYNUGKC-UHFFFAOYSA-N 406.816 4.707 0 1 HJAF CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21 3815350 DAZNPHVDUSTLGK-UHFFFAOYSA-N 412.280 4.924 0 1 HJAF O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)C2 13559273 CYBPJTIFGMMOIV-MDRWGITRSA-N 422.484 4.875 0 1 HJAF O=S(=O)(Nc1cccc2c1CCC[C@@H]2c1c[nH]cn1)c1ccc2ccccc2c1 13580163 YGQHJHASKZGUEH-NRFANRHFSA-N 403.507 4.832 0 1 HJAF CC(C)[C@H]1Cc2cc(OCc3ccc(-c4nnn[nH]4)cc3)c(Cl)c(Cl)c2C1=O 28343008 ZJPTZNVXUMZUFL-CQSZACIVSA-N 417.296 4.764 0 1 HJAF CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 29405210 ZOZZNSZUGWHPLR-UHFFFAOYSA-N 404.555 4.810 0 1 HJAF O=C(Cn1nnc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1)N1CCCCC1 40407955 ZDCYFWQKNORWTH-UHFFFAOYSA-N 415.324 4.931 0 1 HJAF Clc1ccc2c(N3CCN(Cc4ccccc4Br)CC3)ccnc2c1 58563991 LAVWUCFYCJTOLN-UHFFFAOYSA-N 416.750 4.973 0 1 HJAF O=C(NC1CCCC1)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72139701 DVHTUGSTAZQUMT-XMMPIXPASA-N 406.913 4.692 0 1 HJAF COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)O[C@@H](C(C)(C)O)C4)cc2)c1 72176513 FMQPLBJAVRZZGO-HSZRJFAPSA-N 404.462 4.656 0 1 HJAF COc1ccc2cc1OCC/C=C/CN(C)Cc1cccc(c1)Nc1nccc-2n1 82156687 LMHRITSLHYFYAE-ONEGZZNKSA-N 402.498 4.666 0 1 HJAF COc1cc(-c2ccncc2)cc2cnc(Nc3ccc([C@@H](C)NC(C)=O)cc3)nc12 95588781 VTMWOMKMTOKMTQ-OAHLLOKOSA-N 413.481 4.641 0 1 HJAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccccc2)cc1 96929014 UVEOJGWBIBZULY-PGMHBOJBSA-N 402.471 4.599 0 1 HJAF CC1(C)[C@H]2CC[C@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23 100774260 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4.642 0 1 HJAF Cc1ccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)cc1N 587250559 MAARDDYCVLWMGU-UHFFFAOYSA-N 409.125 4.764 0 1 HJAF CCOP(=O)(C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587448592 KAICADVNCOEYDK-GCJKJVERSA-N 416.410 4.604 0 1 HJAF C[C@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554759 JFHJOLCRFZGTLO-FXAWDEMLSA-N 401.340 4.683 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c2[nH]c2ccc(F)cc12 587572570 VZWVDKALUNYYJN-YKSBVNFPSA-N 401.393 4.816 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)o2)N1 587680242 IAYBRYCWNQYKGC-AYVTZFPOSA-N 403.089 4.741 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2Br)N1 587688223 XGLRBFWYTCRRDF-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF Cc1cc(C)c2c(N)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)oc2n1 587747672 RDOPXRVKYXJBEF-PRWKNARSSA-N 418.310 4.726 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C2CCCCC2)N1 587761619 BGRBJSLNRBSTEG-FKIZINRSSA-N 406.343 4.993 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)C2)N1 587766774 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Cc1oc(-c2ccccc2)nc1CNCc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1 40918346 NXIZZTBLFKHJCV-QHCPKHFHSA-N 415.493 4.610 0 1 HJAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 73199460 GBEQOINAQZHOSX-UHFFFAOYSA-N 421.341 4.804 0 1 HJAF Cc1oc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccco2)nc1-c1ccccc1 82165661 RQTGSCNHXNDHAK-QGZVFWFLSA-N 402.454 4.958 0 1 HJAF Cc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2C[C@H]2CCCO2)o1 82185061 PPIRRNPMBRMZDA-QGZVFWFLSA-N 423.904 4.839 0 1 HJAF CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82186101 UAIUZOZWAGCDDM-LJQANCHMSA-N 424.568 4.650 0 1 HJAF COc1cccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 169294332 MMNBLWWOPKBGPM-YRISNDGFSA-N 422.352 4.876 0 1 HJAF COc1ccc([C@@H]2[C@@H](C)[C@H]3[C@@H]2c2c(c4ccccc4[nH]c2=O)OC3(C)C)cc1OC 169334487 ZRJOFUPAQXMRFJ-NOMGZSDZSA-N 405.494 4.850 0 1 HJAF Cc1cc(C)c(-c2n[nH]c(Cl)c2C)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 220788446 DQORBHAHPMUWQK-UHFFFAOYSA-N 422.891 4.848 0 1 HJAF O=C(NC[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl 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CC(=O)OCC=C1CC[C@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@@H](O)CC=C(C)C)OC1 2356501074 NIYAENRGXVJXGA-IMNFJDCFSA-N 424.578 4.500 0 1 HJAF CC(=CC[C@H](O)[C@H](C)C1=CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3C(C(=O)O)=CC[C@@H]12)C(=O)O 2356529484 IHZCQHAUROKVEX-UOTOUWTJSA-N 416.558 4.824 0 1 HJAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295366 AVKLDALPEKNUHT-PCCBWWKXSA-N 400.544 4.612 0 1 HJAF CC(C)(C)c1ccc(O[P@](=O)(O)Oc2cccc(C[n+]3ccsc3)c2)cc1 13454850 XJXLGSRGAVYAQO-UHFFFAOYSA-O 404.448 4.940 0 1 HJAF Clc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2 13492078 MVUVSHXUPTVDBC-UHFFFAOYSA-N 403.917 4.688 0 1 HJAF CC(C)(Oc1ccc(CNC(=O)c2cc(Cl)c(Cl)c(Cl)c2)cc1)C(=O)O 13649329 JBXPBNHDQSZVOP-UHFFFAOYSA-N 416.688 4.819 0 1 HJAF COc1ccc(C(=O)N2CCc3c(n(Cc4ccc(O)cc4)c4ccccc34)C2)cc1 14946250 WMIKQXUOHFPGBF-UHFFFAOYSA-N 412.489 4.602 0 1 HJAF CCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1 20271594 YEGMKYYILBKMLY-GOSISDBHSA-N 423.534 4.867 0 1 HJAF CC(C)C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27561473 YHJXFXCGUNJMCW-JOCHJYFZSA-N 408.542 4.821 0 1 HJAF CCCc1nc(C(C)C)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 27744718 YKZBICCQLAFTRJ-UHFFFAOYSA-N 414.513 4.667 0 1 HJAF COc1ccc([C@@H](CNC(=O)Nc2cccc3cnccc23)Cc2cccnc2)cc1 28958810 TYNWYOMSZOLTRN-OAQYLSRUSA-N 412.493 4.786 0 1 HJAF CN1C(=O)[C@@H](c2cc(Br)ccc2O)Sc2ccc(C(F)(F)F)cc21 40424197 HMDSNZIBDKSCJY-CQSZACIVSA-N 418.234 4.983 0 1 HJAF O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1CSCc1ccccc1 82232192 OZTURMJRNSOMKT-NQIIRXRSSA-N 420.582 4.911 0 1 HJAF CCCN(CCC)C(=O)CC1=C(c2ccc(Cl)cc2)N[C@@H]2C=CC(Cl)=CN12 100046037 FHXPNORUCCBOCX-IBGZPJMESA-N 406.357 4.929 0 1 HJAF CCOc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1OC 102411548 VFDDAIZJNOTMLC-MULOVSNNSA-N 421.493 4.674 0 1 HJAF N=C(N)c1cccc(COc2cccc3c(OCc4cccc(C(=N)N)c4)cccc23)c1 136095764 FZDOFSKMUVMSQR-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF Cc1nc2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)cc2s1 147820786 BIGXOFQDFCWJGU-CXAGYDPISA-N 403.507 4.723 0 1 HJAF FC(F)(F)Oc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1 222107754 SFTJCCFZUCSLST-UHFFFAOYSA-N 421.382 4.988 0 1 HJAF COC(=O)c1ccccc1CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 299836687 OMPIQSGKIVZUPI-UHFFFAOYSA-N 415.533 4.621 0 1 HJAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@H]2c1ccc(-c2ccccc2)cc1 299872466 CLPAGHIGGHLMED-AVPCASRZSA-N 402.538 4.625 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586915870 IUSGCOOZOIGPQW-ZMZPIMSZSA-N 420.694 4.590 0 1 HJAF O=C1COc2cc3[nH]c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nc3cc2N1 587094986 LKZKBDZGFZGETK-UHFFFAOYSA-N 401.266 4.598 0 1 HJAF C[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174338 OOKWLPYQQKFLAA-QGZVFWFLSA-N 414.742 4.882 0 1 HJAF O=C(c1cc2cc(F)ccc2s1)c1c(CO)oc2cc(Br)cnc12 587276820 WQHMQJDGPSJAHP-UHFFFAOYSA-N 406.232 4.667 0 1 HJAF C[C@@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328996 BOROPAUVQNLGSN-WMZHIEFXSA-N 406.388 4.773 0 1 HJAF CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352085 NUVWSWZXOYQDNJ-WIOPSUGQSA-N 420.436 4.982 0 1 HJAF COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352419 OHJLPSTTXHUHIW-URXFXBBRSA-N 406.409 4.592 0 1 HJAF C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352595 LGRAHAJLZUKMBA-ZATIBTDFSA-N 422.496 4.980 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O 587420877 JMEKUUYIMFYOOV-UUOWRZLLSA-N 405.881 4.930 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)C(F)(F)F)c1)CC2=O 587463382 YIUASFYONCFDPX-FQEVSTJZSA-N 407.388 4.726 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1c(N)sc3c1CCC3)CC2=O 587495932 QMLNWQHIQHOPOE-XMMPIXPASA-N 420.534 4.781 0 1 HJAF CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)O[C@H](C)C2 587614551 CITJFGBENLQXEZ-XILATRJDSA-N 418.445 4.817 0 1 HJAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Cl)cc1Cl 587638372 KEOWQXAAIYXMAX-UHFFFAOYSA-N 406.221 4.581 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC 587694191 OXGHCJTYHPQUHO-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2OC(F)F)N1 587722702 ZJAIRRHXXYLECJ-VPTHRUTESA-N 404.201 4.952 0 1 HJAF COc1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1 587759524 ULPSLRZFZUGSRH-PRWKNARSSA-N 403.295 4.712 0 1 HJAF CCOc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C 587759531 UNLMVTGEMRPPRR-BUXKBTBVSA-N 424.358 4.771 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cccnc12 587778691 OJQXOOVNDIPLIC-QKVFXAPYSA-N 411.274 4.915 0 1 HJAF Cc1nc2ccccc2nc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779361 REDVIXOEQJBHAK-YBTHPKLGSA-N 400.295 4.638 0 1 HJAF COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587797500 VRDGBZJAECTUJE-RBZFPXEDSA-N 408.311 4.627 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2n[nH]c3ccccc23)N1 587800088 ZXEKIIVALQJMNI-FKIZINRSSA-N 402.311 4.847 0 1 HJAF COc1ccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587808936 ORWIEWYTHLTVCU-FKIZINRSSA-N 406.295 4.619 0 1 HJAF COc1ccc2c(c1)OCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833347 GBKAPPIZIYALDM-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962639273 PYDQNBGTAQHXBJ-FNHKZSGOSA-N 423.604 4.923 0 1 HJAF Cc1nc(-c2ccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)s2)cs1 962729421 IEEUDGTZSCYNIV-GUYCJALGSA-N 408.470 4.915 0 1 HJAF C[C@H]1CC[C@H]([C@H](C)[C@@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 1857623723 IRRHFODGOMSPEE-DWMZZGCNSA-N 415.662 4.921 0 1 HJAF CC(=CCC[C@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@H]1C)C[C@@H]1C=C(C)C(=O)O1 2356546756 QZBUJGPGJAQWIM-NZEOALSQSA-N 410.466 4.742 0 1 HJAF CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 26255568 HBBZJSVZUQWXTK-DDVDASKDSA-N 420.484 4.882 0 1 HJAF O=[N+]([O-])OCCCCCCCCCCCn1cnc2c(N3CCCCC3)ncnc21 29059653 WQJSNNUABJQTFA-UHFFFAOYSA-N 418.542 4.536 0 1 HJAF COc1cc(OC)nc(Oc2ccc(Cl)cc2C(=O)c2ccc(Cl)cc2)n1 40918487 ITNZDMOVQWMRPI-UHFFFAOYSA-N 405.237 4.824 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3cc(O)c(CC=C(C)C)cc3C(=O)[C@H]2O)ccc1O 43074579 YELBDRXMPXVGQT-RPBOFIJWSA-N 408.494 4.793 0 1 HJAF biogenic O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H](NCc1ccccc1)c1ccccc1 49036824 QJDSLVQBWYNFIQ-QFIPXVFZSA-N 417.896 4.651 0 1 HJAF COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 53314273 VEVYGWIJJVCOCH-UHFFFAOYSA-N 415.490 4.705 0 1 HJAF CCS(=O)(=O)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95555555 ZSRHIULUENZEGS-UHFFFAOYSA-N 414.918 4.743 0 1 HJAF C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 138699403 NEMWYOKGHGSVSC-MEJCXAHJSA-N 415.662 4.563 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299876003 DXANDXDXHKOUAG-MJUUVYJYSA-N 424.944 4.913 0 1 HJAF COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2 473132451 SRDXYULKCYBMDO-UHFFFAOYSA-N 403.507 4.762 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cs1 587019915 ZUDOQZQQSOIGIP-UHFFFAOYSA-N 418.404 4.668 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587067870 SNSVYPSMMVRWAA-CQSZACIVSA-N 421.950 4.695 0 1 HJAF Cc1cc(Br)c(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F 587137931 SPSGNGMWWDKYCV-UHFFFAOYSA-N 403.024 4.737 0 1 HJAF C[C@@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345170 YQAFNZWUAKZUEL-ZCYQVOJMSA-N 414.436 4.991 0 1 HJAF COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587346894 CHHTVORKZKQGFO-ISKFKSNPSA-N 408.425 4.606 0 1 HJAF CCNC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F 587386153 SMGLQZCFAIJTRN-HSZRJFAPSA-N 418.468 4.840 0 1 HJAF Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531106 IJPCXORGOXILFE-DIRLVWTMSA-N 402.446 4.652 0 1 HJAF Nc1sc2c(c1[C@]1(C3CC3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 587619011 QFXAPDLFBTUOOM-RDPSFJRHSA-N 419.502 4.792 0 1 HJAF O=C(CCCOc1ccc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587650890 GTSYWBMHVGFORP-UHFFFAOYSA-N 411.672 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2Cn2ccnc2)N1 587752077 BMAFUQNNYBEFIH-AKCHCHLHSA-N 406.343 4.795 0 1 HJAF Cc1ccccc1-n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587762935 HIPVLXMWUUGLCQ-SZNDQCEHSA-N 414.322 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3nc(Cl)sc3C2)N1 587859131 VVJJFVKDPBTYQR-VPTHRUTESA-N 401.732 4.617 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1C(C)C 587867389 CQCACENFKPMJQR-UHFFFAOYSA-N 419.403 4.815 0 1 HJAF COc1ccc2c(c1OC)[C@](CCCCC(=O)O)(c1cccc(C)c1)N(C)[C@H](C)C2 962566906 JKEZEYNZIQAJNH-CJAUYULYSA-N 411.542 4.777 0 1 HJAF CC(C)c1ccc([C@]2(c3ccc(N)cc3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962924502 KLGKJJGEYJVONH-HHHXNRCGSA-N 413.565 4.532 0 1 HJAF O=S(=O)(Nc1ccc2c(c1)CCN2CCc1ccc(F)cc1)C1CCCCC1 1857577658 NVEQSRYWGUUEHW-UHFFFAOYSA-N 402.535 4.505 0 1 HJAF CCCCCN1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 17950109 PBDLWYSUITYFND-DEOSSOPVSA-N 410.533 4.966 0 3 HJAF O=C(Nc1ccccc1Cl)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 2504264 MVNUYMRVMLGTRL-UHFFFAOYSA-N 406.751 4.914 0 1 HJAF C=Cc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 27894085 JKBOCGBMQDHFHI-CSZVXOJQSA-N 424.544 4.510 0 1 HJAF CC(C)CN[C@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1 28126191 MDPQPLJZBUPJTB-OFVILXPXSA-N 402.494 4.741 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1 29544131 DAVUFXMQAAAHHE-MOSHPQCFSA-N 418.474 4.789 0 1 HJAF O=c1c2cc(-c3ccccc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 43198506 AZTUEMJLQCTRMN-UHFFFAOYSA-N 424.504 4.696 0 1 HJAF CC(C)CNC(=O)c1cncc(-c2ccc(CNCCCc3ccccc3)cc2)c1 45168462 VGBCJELZMBUKQM-UHFFFAOYSA-N 401.554 4.857 0 1 HJAF NC[C@@H]1CCCN1Cc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 45228504 RRVHHPXIYMLLBQ-QFIPXVFZSA-N 400.501 4.959 0 1 HJAF CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45384540 ONNVZWUGBZVDOD-PZJWPPBQSA-N 400.906 4.549 0 1 HJAF Fc1ccc(N2CCN(Cc3coc(-c4ccccc4Br)n3)CC2)cc1 72101889 HSDUYESIZGGVMD-UHFFFAOYSA-N 416.294 4.565 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C 82159854 WCZILEKOMSKCAJ-GEBXKSAFSA-N 422.548 4.905 0 1 HJAF CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3nc(-c4ccc(Cl)cc4)oc13)C2 103264130 HMQQYASRCXSQBR-NNZMDNLPSA-N 409.917 4.893 0 1 HJAF Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1=O 205766230 IHPQLENVEXBFBB-ZDUSSCGKSA-N 410.823 4.967 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586974939 YTSCRBPIMOJOSN-KRWDZBQOSA-N 409.433 4.572 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(C3)C(=O)Nc2ccccc21 586989650 NVHGAKQNRJQULS-MHZLTWQESA-N 418.452 4.531 0 1 HJAF Nc1ncc(-c2nc3cc(Br)cc(F)c3[nH]2)c(-c2ccccc2Cl)n1 587060853 OKOKNDGXTKAWRL-UHFFFAOYSA-N 418.657 4.824 0 1 HJAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br 587127440 XMZVCZVIPDVYDI-SDBXPKJASA-N 414.229 4.805 0 1 HJAF Nc1c(F)c(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1F 587137059 QYOYUUGESWYCGZ-UHFFFAOYSA-N 421.014 4.754 0 1 HJAF C[C@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342615 OKVNYFQGGICMCX-ILBGXUMGSA-N 414.436 4.991 0 1 HJAF O=C(O)C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587353325 OQOHFVOEXHLELI-JQRIVJTKSA-N 418.420 4.748 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(Br)cc1OC)CC2=O 587457291 GLEABNAUPCCEKZ-SFHVURJKSA-N 421.287 4.831 0 1 HJAF COC(=O)c1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587521535 BNBHOMLUTFLAEG-RUZDIDTESA-N 401.462 4.589 0 1 HJAF CCOC(=O)c1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549414 ZXAPWDPFASILQO-KNQAVFIVSA-N 424.836 4.925 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cccc(F)c1)CC2 587570088 KEVJMYBNSRBTAU-JOCHJYFZSA-N 419.452 4.528 0 1 HJAF CC[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590337 CAQIKMGANKRHPP-XUZZJYLKSA-N 406.434 4.677 0 1 HJAF CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587698088 HRRQJMDFKMFMKD-NSPYISDASA-N 410.714 4.999 0 1 HJAF 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CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OCC)cc1 4206804 BULLTWBZXXGYMK-TZIWHRDSSA-N 400.906 4.747 0 1 HJAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccc(C)cc2)c1 29038781 BRZYRRHBISXMCR-UHFFFAOYSA-N 402.566 4.562 0 1 HJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1 29411770 FYDXWMWLCSEPLS-HZPDHXFCSA-N 401.330 4.952 0 1 HJAF CN(C(=O)[C@]1(C)CCc2c(c3ccccc3n2CC(=O)O)C1)c1cccc(Cl)c1 35983930 CJNTWYOIOVTHEW-HSZRJFAPSA-N 410.901 4.537 0 1 HJAF Cc1cccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)c1 43079305 YQSJVMDNIRISAU-UHFFFAOYSA-N 401.420 4.919 0 1 HJAF COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CC=CCC3)n2)cc1 82066071 AXNXZIVJDRAUQV-UHFFFAOYSA-N 423.904 4.704 0 1 HJAF CC(C)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@@H]1CCCN1C 82185202 OGRRAYPZRAXWPU-SFHVURJKSA-N 412.969 4.700 0 1 HJAF COc1cc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2c2ccccc2)ccc1O 96932484 WYDSQVYNASYHAD-OAQYLSRUSA-N 412.445 4.863 0 1 HJAF COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3C[C@](O)(c3ccc(SC)cc3)C4)c2c1 101185204 KNKGKWINGHKSAD-NHKMSHSESA-N 408.567 4.913 0 1 HJAF Fc1ccc(Nc2nc(NCc3ccncc3)nc(Nc3ccc(F)cc3)n2)cc1 117541260 HCHZOETXRVZDHG-UHFFFAOYSA-N 405.412 4.644 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CCCC(=O)CC5)[nH]c4c3)o2)cc1 586885652 NGAOBOYDCCEIPF-AWEZNQCLSA-N 402.454 4.905 0 1 HJAF Clc1ccc(-c2nnc(SCc3nc4cnccc4[nH]3)n2Cc2ccco2)cc1 586966012 YXYBQLHTLRSXMP-UHFFFAOYSA-N 422.901 4.803 0 1 HJAF Cc1cnc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985580 OZTCWZXWHBUHPG-INIZCTEOSA-N 405.727 4.867 0 1 HJAF CC(C)Oc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br 587024858 FQFLJQYCDMMVJD-UHFFFAOYSA-N 417.379 4.545 0 1 HJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587048879 BXNGMAGBYXKQDB-UHFFFAOYSA-N 400.610 4.882 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085960 QEUMLASMUWAJSR-UHFFFAOYSA-N 402.635 4.892 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(Br)c(Cl)c2[nH]1 587147040 CDBVEQBQOYHFHM-UHFFFAOYSA-N 424.636 4.720 0 1 HJAF Cc1ccc2c(ccc3nc(-c4cccc(C(=N)NC(=O)OC(C)(C)C)c4)[nH]c32)n1 587202238 BSJDJGIDVISNES-UHFFFAOYSA-N 401.470 4.937 0 1 HJAF Cc1nc2cccc3c2c(c1[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 587216078 SFWKQJVJRFXOJB-RPWUZVMVSA-N 409.441 4.785 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cn([C@@H](C)C(=O)O)c3ccccc13)CC2=O 587471773 UOAQEYKIWVLYTR-BSEYFRJRSA-N 407.466 4.826 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1F 587566960 COQMYDVVNOJKMX-OXQOHEQNSA-N 415.214 4.997 0 1 HJAF CCOc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1CC(C)C 587582569 PXKIEMRAKWSAOF-NZQKXSOJSA-N 422.481 4.655 0 1 HJAF Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587758 HOJOZODXOJNRSI-OFVILXPXSA-N 412.445 4.649 0 1 HJAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC 587592735 JXOKEDYFNSCWRE-BWKNWUBXSA-N 420.461 4.681 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCO3)N1 587835843 QUXWHZUHFJRWAI-FKIZINRSSA-N 406.295 4.699 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587960513 DGQZPOZWVJJLNQ-UHFFFAOYSA-N 419.550 4.899 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587962774 YIHLPDHEWPYWCZ-UHFFFAOYSA-N 419.550 4.851 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@H](c2coc(-c3ccccc3Cl)n2)N1)C(F)(F)F 962731203 QDSNPWJZMSMCNC-RDJZCZTQSA-N 406.791 4.730 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)NCC3 963047362 OHJXLQPXGQJSKG-IZLXSDGUSA-N 424.544 4.983 0 1 HJAF Fc1cc(I)cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963114621 VFMBJQBDHHKZOY-WMZOPIPTSA-N 411.233 4.679 0 1 HJAF CC1=NC[C@@H](c2cn(S(=O)(=O)c3c(Cl)cccc3Cl)c3ccc(C)cc23)N1 1857584660 RYGUQNWAJDEGOO-KRWDZBQOSA-N 422.337 4.556 0 1 HJAF Cc1cc([C@@H]2[C@@H](C(C)C)CC[C@]2(C)CC(=O)O)c(C(=O)O)c(O)c1Br 2356511153 ZOSSDTMJKVYMOL-VZMUKZCBSA-N 413.308 4.792 0 1 HJAF CO[C@@H]1C[C@H](CC[C@@]2(C)[C@@H]3CCC=C(COC(=O)CC(=O)O)[C@@]3(C)CC[C@H]2C)CO1 2356518132 GVDOCINBIYBYHQ-QYMYSXQESA-N 422.562 4.572 0 1 HJAF CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3ccncc3)no2)cc1 61907032 LJOKZPNQZLFPQP-OAQYLSRUSA-N 418.497 4.813 0 3 HJAF COc1ccccc1-c1cc2c(Nc3ccc(N4CCN(C)CC4)cc3)nccc2[nH]1 82078579 NZJQACFHBKELCN-UHFFFAOYSA-N 413.525 4.734 0 3 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 13374492 JCUWKPURUZEBFJ-BSPFGIBGSA-N 412.526 4.789 0 1 HJAF in-man COc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 13446412 BCDKQQVLNARLAI-OAQYLSRUSA-N 421.368 4.840 0 1 HJAF COc1ccc2c(c1)C[C@H](CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O 13589205 OTRBXADIASNSBW-HNNXBMFYSA-N 408.473 4.600 0 1 HJAF CC(=O)c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c(O)c1 13740848 JRAOALKNNYGKLE-UHFFFAOYSA-N 412.461 4.524 0 1 HJAF O=C(N[C@@H]1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2 26499983 HHMKDUSRGJSDGA-RXXSEBCPSA-N 420.519 4.655 0 1 HJAF O=S(=O)(c1nc(-c2ccc(F)cc2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F 28220147 OSHIECZMTPXMEI-UHFFFAOYSA-N 402.344 4.514 0 1 HJAF CN1CCC[C@@]12CCCC[C@@H]2N(CC1CC1)C(=O)c1ccc(Br)cc1 28254521 CFDWVOCCPAMIBO-PZJWPPBQSA-N 405.380 4.708 0 1 HJAF CC(=O)N1CCc2c([nH]c3cc(F)ccc23)C12CCC(c1ccccc1)(N(C)C)CC2 34039883 QBBRQQIXCSEDHE-UHFFFAOYSA-N 419.544 4.938 0 1 HJAF CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)nc21 35001696 KJSPMONKFSRIFL-UHFFFAOYSA-N 405.498 4.537 0 1 HJAF COc1ccc([C@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)cc1 40466045 FOBQJSLREWQFNM-XMMPIXPASA-N 417.486 4.845 0 1 HJAF COc1ccc(CCNCCCCCNCCCc2ccc(Cl)cc2)cc1OC 45189973 RRASNXXYWBCMGB-UHFFFAOYSA-N 419.009 4.882 0 1 HJAF Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc32)s1 64540248 HFBBNWGIUOYGEZ-UHFFFAOYSA-N 420.420 4.590 0 1 HJAF CC(C)c1ccc(NC[C@@H](O)COc2ccc3c(c2)OC2(CCCC2)CC3=O)cc1 95587525 ZNZIQHFETZJQKG-HXUWFJFHSA-N 409.526 4.940 0 1 HJAF COc1ccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c(F)c1 96169861 ROGLWHIIHRIBLU-UHFFFAOYSA-N 417.488 4.755 0 1 HJAF Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1cnn(C)c1 103241175 QDMRXLJSXDYUDY-UHFFFAOYSA-N 412.497 4.798 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c2cccc(C)c2n1 142512985 FKUFZNJYPFAVRD-UHFFFAOYSA-N 422.492 4.716 0 1 HJAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 207627959 WSTCEYSBWKYEDE-UHFFFAOYSA-N 417.517 4.636 0 1 HJAF in-vitro C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255286714 ZCRRJRCFTGPOMI-RRKDYAOYSA-N 413.646 4.771 0 1 HJAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586934860 BKPNRYIDXBHAHV-INIZCTEOSA-N 416.305 4.684 0 1 HJAF Oc1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005793 SUUYAHPQLTVIGT-UHFFFAOYSA-N 403.461 4.509 0 1 HJAF Cc1cc(-c2nc3cc(O)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061035 HSEBYVJUGRHXGF-UHFFFAOYSA-N 403.873 4.999 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085605 WPIBGRDRGLIIHS-UHFFFAOYSA-N 414.918 4.510 0 1 HJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(I)cc2[nH]1 587149472 HGKZAVBDKHYVDX-QMMMGPOBSA-N 400.166 4.586 0 1 HJAF Nc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc2ccccc12 587253370 JSTIAZOKBPNNKQ-UHFFFAOYSA-N 420.641 4.618 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O 587419274 DMNRDTXZUOQWHH-XDHUDOTRSA-N 402.833 4.584 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)Oc4ccccc4)cc1)[C@@H](C2)C3=O 587433694 UQMVGFUUMLIBPW-NBGIEHNGSA-N 415.445 4.969 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(CCOC)c3ccc(OC)cc13)CC2=O 587477919 VWVZODKQZMSVAT-QHCPKHFHSA-N 409.482 4.661 0 1 HJAF C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554079 GVLFGGZTXLEVLE-LRTDBIEQSA-N 422.305 4.965 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc3c2OCOC3)N1 587698444 OGTKGDGNMNBFHB-XLFHBGCDSA-N 412.686 4.732 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCCCC2)N1 587766223 MQZHEIWKFVHLAR-ORAYPTAESA-N 404.327 4.597 0 1 HJAF CC[C@@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804111 AUJBTMPVWDBFDE-YUNKPMOVSA-N 408.311 4.793 0 1 HJAF Cc1cc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C 587840497 YCVMCBPERZFQTD-YUNKPMOVSA-N 416.290 4.935 0 1 HJAF CCN(c1ccc(-c2csc(C(C)(C)c3ccccc3)n2)cc1)S(C)(=O)=O 587922966 JCIMYANBTRKOFX-UHFFFAOYSA-N 400.569 4.922 0 1 HJAF C[S@@](=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801658 YMXCZDZLKQUEJO-KDYSTLNUSA-N 402.947 4.770 0 1 HJAF COC(=O)c1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(C)c1 962648826 YMOBIHKKSPYMBU-JYFHCDHNSA-N 412.533 4.618 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2[C@@](C)(C1)C[C@]21NCCc2cccc(-c3ccccc3)c21 962667761 MCMUVUNHNJLPMA-BYXVTNLJSA-N 404.554 4.972 0 1 HJAF C[C@@]1(c2c(O)nc3ccccc3c2C(=O)O)NCCc2cc(-c3ccccc3)ccc21 962670289 QOZQCSQWUVXPAD-AREMUKBSSA-N 410.473 4.715 0 1 HJAF COc1ccc([C@]2(c3cccc(Br)c3)NCCc3ccc(O)cc32)cc1 963352591 MKUOYBXQSTUEHH-JOCHJYFZSA-N 410.311 4.601 0 1 HJAF COc1cc(OCCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 1857557112 BIUBITCKFNNKPO-UHFFFAOYSA-N 421.478 4.843 0 1 HJAF Clc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2CN2CCOCC2)cc1 1857766068 YWEPBIDVCQSSBY-UHFFFAOYSA-N 404.901 4.549 0 1 HJAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1 2356422545 PFDDFESTKYXZHS-FQEVSTJZSA-N 408.494 4.979 0 1 HJAF COc1ccc(CC[C@H](C)[C@@H](C)[C@@H](O)Cc2ccc(OC)c(OC)c2)cc1OC 2356700458 MXBCUUKBWQLFOZ-QKLQHJQFSA-N 402.531 4.529 0 1 HJAF Cn1ccnc1SC[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356741152 PGSWBIZOBGMFIQ-JGPFDPTISA-N 416.631 4.567 0 1 HJAF COC(=O)c1cccc2oc(-c3cccc4oc(-c5c(O)ccc(O)c5C)nc34)nc12 2356791607 ITLWVFOFQYXFRV-UHFFFAOYSA-N 416.389 4.809 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@H](N)C=C4)C3)CC[C@H]1[C@@H](N)C2 2356838179 LQYBFJPMMGKAMZ-OKIODHHVSA-N 413.650 4.746 0 1 HJAF N[C@H](c1csc(Nc2cc(NCc3ccco3)ncn2)n1)c1ccccc1Cl 61930978 AZZCJWODLUGQEQ-SFHVURJKSA-N 412.906 4.583 0 3 HJAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 776947 JDEPOGOXJJCXNP-NSHDSACASA-N 423.271 4.955 0 1 HJAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CC[C@@H](C)C3)cc2)c1 27527146 RBEROMJIQJWAOZ-PEBXRYMYSA-N 401.890 4.852 0 1 HJAF COc1cc2c(cc1OC)[C@@H](CC(c1ccccc1)c1ccccc1)N(C=O)CC2 28396977 ISVXVFYNYLBSKA-XMMPIXPASA-N 401.506 4.982 0 1 HJAF C[C@@H](Cc1ccc(OCCCCOc2ccccc2)cc1)NCCCn1ccnc1 45201582 YQMXCTAECQYUPO-QFIPXVFZSA-N 407.558 4.732 0 1 HJAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(Br)c1 45389690 OBXNSUXPNPNSNM-UHFFFAOYSA-N 424.254 4.663 0 1 HJAF Cc1ccc(CN2[C@H](c3ccccc3)COc3c(Cl)cccc3S2(=O)=O)cc1 72136667 TZMSJZIJZLYRME-FQEVSTJZSA-N 413.926 4.973 0 1 HJAF COc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(OC)c2)cc1F 73140938 VMZOPGFJGGQILV-UHFFFAOYSA-N 421.266 4.682 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)C1 82132568 KVENMMBHROUDGP-VQQMMKBISA-N 406.574 4.934 0 1 HJAF CC[C@H](Sc1ccc(-c2ccccc2)nn1)C(=O)N(c1nc(C)cs1)C1CC1 84669830 HLIHCXUJNRXKDK-SFHVURJKSA-N 410.568 4.975 0 1 HJAF CCOC(=O)[C@@H](C)Sc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1 95602798 WBWXUKLVOBDGTB-OAHLLOKOSA-N 404.495 4.502 0 1 HJAF COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)ccc1O 102714357 MTQFWVFYYRXAEG-LJQANCHMSA-N 403.438 4.506 0 1 HJAF Cc1ccc2c(COc3ccc(I)cc3)cc(=O)oc2c1C 103264157 ISBKMHYTFPPCQB-UHFFFAOYSA-N 406.219 4.593 0 1 HJAF C=Cc1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1 113387204 BJFDIYJUPKROCP-UHFFFAOYSA-N 407.481 4.745 0 1 HJAF COc1cc(-c2ccc3ncc(-c4ccc(F)c(Cl)c4)n3n2)cc(OC)c1OC 223805311 BROGUSHNVDLBFO-UHFFFAOYSA-N 413.836 4.882 0 1 HJAF CC(C)=C1C[C@H]2O[C@@H]3CC(=O)O[C@]4(CC[C@]5(C)[C@@H](c6ccoc6)CC(=O)[C@H]5[C@]24C)[C@]13C 238738535 UFKBHGSCOKYVMC-SBXIVLBESA-N 424.537 4.958 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@H]4CC[C@@H]13 255284077 YEPSFDDUIHVEJE-HDTPANDVSA-N 416.694 4.887 0 1 HJAF O=C(Nc1ccc(SC[C@@H]2CCCN3CCCC[C@@H]23)nc1)c1ccc(Cl)nc1 504472930 RBFAGBZRJZHXED-WMZOPIPTSA-N 416.978 4.739 0 1 HJAF biogenic CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586888730 LVMIJFQBRUMCEY-KZULUSFZSA-N 417.303 4.648 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586962101 UQMYLXRKJDAKAD-MRFFXTKBSA-N 417.481 4.536 0 1 HJAF O=C(O)c1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079636 FFOAMHKYFDMYAS-UHFFFAOYSA-N 404.651 4.680 0 1 HJAF N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F 587143064 UTGIILPSUMIDEO-GFCCVEGCSA-N 402.189 4.726 0 1 HJAF Cc1nc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2cc1Br 587202601 FFPFVKCNRCSPPK-UHFFFAOYSA-N 411.344 4.610 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343947 AFXQMGWIHSIREU-PTLVVNQVSA-N 414.473 4.874 0 1 HJAF CCOC(=O)[C@@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347027 KNTSGBTVHSWEAG-XXBNENTESA-N 400.446 4.628 0 1 HJAF CN(C)/C=C/[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377284 RDPLNTGLDFSOSF-ICDXIMRRSA-N 409.482 4.923 0 1 HJAF CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587407457 JLQMXVXUGOXIMF-KNOQFWTLSA-N 407.510 4.891 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O 587427066 GEJNGONXNPFJSO-MBSDFSHPSA-N 409.844 4.761 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2=O 587489945 XJIICGYFLSFVBN-IATMXGELSA-N 405.538 4.981 0 1 HJAF COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500419 OTBACLQJDRFWIG-QHCPKHFHSA-N 409.869 4.734 0 1 HJAF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587572718 QHGGZEDIVABIBH-ZJSXRUAMSA-N 405.450 4.647 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2C(F)(F)F)N1 587709766 CMSSMJONIQZSTA-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF CCOc1cc(OC)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803496 WQJGBSDFKXNTKE-MPBGBICISA-N 408.311 4.793 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccn3)n2)N1 587852639 MNHYTVOKBUMXAU-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1Cc2ccccc2O1 587858086 CNXFOBDEUXYASK-SFHVURJKSA-N 403.265 4.900 0 1 HJAF Cc1cccc2c1[C@]1(c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N13)c1ccccc1-2 962676938 YECQSNOUZKCPSL-IZLXSDGUSA-N 420.512 4.914 0 1 HJAF OCC1(c2ccccc2)CCC2(CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962706908 MSAQXGQPYOFEQZ-LXKSKSEUSA-N 411.586 4.889 0 1 HJAF CCCC[C@@]1(c2ccnc(Cl)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961828 HMEMCDGZICCOBF-KUHUBIRLSA-N 415.267 4.699 0 1 HJAF CNCCN1CCC(OCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1 1772614757 NHEFIVVNRQJHSA-UHFFFAOYSA-N 409.357 4.986 0 1 HJAF Cc1ccccc1Cn1nccc1-c1ccc2nnn(-c3ccc4c[nH]nc4c3)c2c1 1857596779 PNXPPGJSMZYLIR-UHFFFAOYSA-N 405.465 4.517 0 1 HJAF O=C(c1cn(-c2ccc(F)cc2)nn1)c1c(-c2ccc(Cl)cc2)nc2sccn12 1857616220 YCWODEXOUUFFJO-UHFFFAOYSA-N 423.860 4.667 0 1 HJAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)nn(C(C)(C)C)c2N)cc1 1857773139 RZPJDJSZFXDOFQ-UHFFFAOYSA-N 411.502 4.589 0 1 HJAF N[C@@H](COCc1ccccc1)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 61904480 IELBBAVNQANEMI-INIZCTEOSA-N 402.907 4.657 0 3 HJAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@@H]2SC(=O)NC2=O)cc1 3825499 RMXPOMPOLIFBBX-FQEVSTJZSA-N 422.506 4.903 0 1 HJAF Cc1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)c(C)c1 6522303 POPJAULQELMUPW-IBGZPJMESA-N 410.322 4.730 0 1 HJAF CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1CCOC 13672716 OKWDLKHJGAXFSE-AWEZNQCLSA-N 405.329 4.959 0 1 HJAF O=C(Cc1ccncc1)N1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1 13775746 AAOOBDQLDBMAFL-UHFFFAOYSA-N 403.913 4.797 0 1 HJAF Clc1ccc2c(c1)N=C(N1CCN(CCc3ccccc3)CC1)c1cccnc1O2 84635507 KMWUPPLGFWGMEM-UHFFFAOYSA-N 418.928 4.779 0 1 HJAF COc1cccc(N(C)c2nc(NC(=O)C(C)(C)C)nc3[nH]c4ccccc4c23)c1 96923693 IVXXGESPBGGWQH-UHFFFAOYSA-N 403.486 4.872 0 1 HJAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 103539683 SIJKUMKLNLTFDX-HXUWFJFHSA-N 414.933 4.643 0 1 HJAF C[C@H]1CC[C@@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 169294301 IDEDPGPONCPOBU-KQLYMOGASA-N 414.343 4.759 0 1 HJAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)CC/C=C/I)N3C)cc1 195034259 WPOWYXAYIRKXTG-AAAGBAOVSA-N 423.338 4.859 0 1 HJAF Nc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)sc2cc(Br)ccc12 587032459 SYQKEJSJQRIMEE-UHFFFAOYSA-N 414.210 4.550 0 1 HJAF Fc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)nc1Br 587154970 HKJQXPDQBUSKBN-UHFFFAOYSA-N 406.987 4.567 0 1 HJAF Nc1ncc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cn1 587253568 BPJTWOLVQUVKQC-UHFFFAOYSA-N 400.667 4.685 0 1 HJAF C[C@@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334326 MAYMEAAJSOTMPZ-GHTZIAJQSA-N 401.796 4.993 0 1 HJAF C[C@@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340539 YGNGWRQQTJYSPQ-UPVQGACJSA-N 423.415 4.817 0 1 HJAF O=C(O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377070 QJWGSDFMTKRSOP-IRLDBZIGSA-N 412.438 4.712 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3cn4ccccc4n3)c1)O2 587394262 SAESPPOJTYCMES-VWLOTQADSA-N 413.477 4.685 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1Cl)([C@H]1CCOC1)[C@@H](C2)C3=O 587418800 AZBSQUHNXPSDOW-LBJGKRIESA-N 405.277 4.681 0 1 HJAF Cc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 587589483 WZRCJTWXAMRQNP-QPPBQGQZSA-N 410.429 4.861 0 1 HJAF Cc1sc(N)c([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587614451 SLAFFOKPAVYJKN-XXBNENTESA-N 407.491 4.920 0 1 HJAF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccnc1 587628588 WIBAENZNIPUWKL-UHFFFAOYSA-N 416.277 4.618 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccccc3OC)c(=O)c3ccccc23)c(O)c1 587665135 MVNHOUGPNIYYES-UHFFFAOYSA-N 415.493 4.613 0 1 HJAF Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587680720 PUXSYWZNXNFPNV-BJOHPYRUSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N)cc12 587746112 LJEAITWPBUJKFT-IPQOISQHSA-N 409.302 4.977 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1 587768536 DGUPBYIUGQZRGE-GTJPDFRWSA-N 413.290 4.979 0 1 HJAF Cc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779766 VUSIVLBUKQOSLH-WYRIXSBYSA-N 401.279 4.774 0 1 HJAF Cc1c(F)ccc2c1[C@]1(CC(C)(C)CC3=C1[C@H](c1ccccc1)NC(=O)N3C)NCC2 962143758 IVBCCFADSZRTGK-OZXSUGGESA-N 419.544 4.946 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCc2ccccc2)(c2ccc(Cl)cc2)N1 962906929 RNRREAOTKWGAHA-URXFXBBRSA-N 409.888 4.954 0 1 HJAF O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)s1 1857775342 MYUDFJRYDRZPQP-UHFFFAOYSA-N 413.446 4.580 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)N(C)C)CC[C@@]2(C)[C@@H]4C=C[C@H]3[C@@]1(C)CO 2356461233 YQFLJUFXAGSUHT-IXLNDZOXSA-N 414.678 4.712 0 1 HJAF CC1=C[C@H](CN2CCC(O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356599356 VSLICPOURRGUDU-QZNHQXDQSA-N 409.574 4.590 0 1 HJAF CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12 36381948 ACNJSANQXJKRCD-HRAATJIYSA-N 414.299 4.801 0 3 HJAF Cc1c(C=O)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 13494051 MBJWENBMRUTUBN-UHFFFAOYSA-N 401.253 4.586 0 1 HJAF CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O 49088902 NSJHIYMKOLGKSR-UHFFFAOYSA-N 400.427 4.866 0 1 HJAF NCc1cc(F)ccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66102053 PFCYJHBCDYNXAM-QHCPKHFHSA-N 415.516 4.636 0 1 HJAF O=c1[nH]c(CCCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12 71319167 IBIQKJHXTSLLBQ-UHFFFAOYSA-N 411.908 4.828 0 1 HJAF c1ccc2c(c1)OC[C@H](COCCCN1CCC(c3nc4ccccc4s3)CC1)O2 169312211 HTXULDRXXKOBAS-IBGZPJMESA-N 424.566 4.722 0 1 HJAF N#Cc1ccc2ncn(C[C@H]3CCC[C@]4(C3)CN(c3ccccc3F)C(=O)O4)c2c1 204935103 DXNFXJWEQCQSOC-SBUREZEXSA-N 404.445 4.633 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(OCC(=O)O)c2)cc(-c2ccc3ncsc3c2)n1 205846774 MVVHFZQSMRJOLJ-CYBMUJFWSA-N 420.494 4.698 0 1 HJAF CSc1ncc2c(n1)CCN(c1cccc(C(=O)Nc3ccc(C(C)C)cc3)n1)C2 215909262 CWXKEGGCUFLIDG-UHFFFAOYSA-N 419.554 4.532 0 1 HJAF COc1nccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586984556 SIXJTNSFKWQTIO-UHFFFAOYSA-N 423.270 4.648 0 1 HJAF CC(C)Oc1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064417 SIJLHQREAOTPRM-UHFFFAOYSA-N 423.900 4.911 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(F)c(Br)c2[nH]1 587108880 HRFYDUAACXAFPP-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF COc1c(F)ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1N 587133262 NJWZBKALFDXMDQ-UHFFFAOYSA-N 420.160 4.621 0 1 HJAF O=C1C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150209 QOXSQOMWTZYRLP-SNVBAGLBSA-N 413.321 4.515 0 1 HJAF Oc1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587153434 RBTFTWIAIJJQKW-UHFFFAOYSA-N 417.469 4.948 0 1 HJAF Cc1cc(C)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 587157277 JXKBFEJXGCGBGS-UHFFFAOYSA-N 415.266 4.917 0 1 HJAF Fc1cccc2c(-c3nc4cc(Br)c(Br)cc4[nH]3)n[nH]c12 587176496 NJMCIRCCDJDDGM-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)c1c(CO)oc2cc(Br)cnc12 587276611 OVGASVUEGUMASR-JTQLQIEISA-N 424.678 4.695 0 1 HJAF COc1cc(Br)c2oc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1 587372721 QYRQCGRJYUTATF-FQEVSTJZSA-N 416.271 4.975 0 1 HJAF CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587411241 CEUKBZXCESZLNL-HXUWFJFHSA-N 407.495 4.733 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)nc4ncccn14)[C@@H](C2)C3=O 587422526 QMHHFNBOMCCPMO-AOMKIAJQSA-N 417.852 4.547 0 1 HJAF COC(=O)c1ccc([C@]2(c3cc[nH]c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521263 ATODBMBCUQVMOY-VWLOTQADSA-N 401.462 4.589 0 1 HJAF CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521598 DOWPDJHMNMCIFI-RUZDIDTESA-N 408.494 4.998 0 1 HJAF CC(C)[C@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581639 WWAZSTXIHAOCIR-DHLKQENFSA-N 417.461 4.777 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccncc1 587585944 ITPWNMIAOOJPKL-JYFHCDHNSA-N 409.441 4.887 0 1 HJAF COC(=O)c1ccc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587694707 QDVBKLMMSFZNEM-XLFHBGCDSA-N 412.686 4.652 0 1 HJAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587721216 WHVSJDBZKORCNK-ABKXIKBNSA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCc3ccccc3C2=O)N1 587822669 LWCLEARJRBPTDJ-PKQAIAMASA-N 402.307 4.783 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835297 PBPFHSCKBWAKAR-FKIZINRSSA-N 406.295 4.547 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2nccnc2c1 587864786 PPQQRTCYRWOEFD-UHFFFAOYSA-N 412.371 4.599 0 1 HJAF Cc1cc(-n2c(CCC(=O)O)ccc2-c2cccs2)nn1Cc1ccccc1F 587946884 YMCWUKKFDBWFKO-UHFFFAOYSA-N 409.486 4.915 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCc3sc(Cl)cc32)N1 962986474 CDSFTXBHVXAIJL-APPDUMDISA-N 404.265 4.512 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccc(F)c2F)c2ccc(F)cc2C[C@H]2CCCN21 963101289 JTJLKTDVVRWFMC-HXOBKFHXSA-N 403.444 4.711 0 1 HJAF Cc1nn(-c2ccccc2)c(O)c1C(=O)C[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963114428 SZUGEBJEMOOXQH-CJFMBICVSA-N 419.500 4.534 0 1 HJAF COc1ccc(NC(=O)C2CCN(c3ncccc3C(F)(F)F)CC2)cc1Cl 1857621336 TVBNOOJZTIOFTN-UHFFFAOYSA-N 413.827 4.618 0 1 HJAF CC(=CCO)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]12C 2356442477 DHBPVKBZOWIHTC-UECWXEIQSA-N 406.563 4.891 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@]12C 2356690511 AEHXVYOSNIAJOA-IATNUCJSSA-N 402.487 4.709 0 1 HJAF CC(C)[C@@H](O)[C@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2356792879 GXEGLKFHCXONNK-XJGLYSJTSA-N 402.619 4.957 0 1 HJAF Cc1ccc(SC[C@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 13661709 BKNPUKHFYXNNNV-QHCPKHFHSA-N 410.627 4.889 0 3 HJAF COc1cc(Cl)ccc1O[C@@]1(C)CCN(Cc2cccn2-c2nccs2)C1 61906388 RKTMCAFKXHIEEV-FQEVSTJZSA-N 403.935 4.639 0 3 HJAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc21 14977001 CNPISPPVRJLPAM-HNNXBMFYSA-N 410.388 4.938 0 1 HJAF O=C(O)CCC[C@H](O)[C@@H](/C=C/CCc1ccccc1)Sc1ccc(C(=O)O)cc1 29310821 ZDMDUDMRTMWMGF-FHOXLCKNSA-N 414.523 4.650 0 1 HJAF COc1ccc2cc(-c3n[nH]c4ccc(-c5nc(CN6CCCC6)n[nH]5)cc34)ccc2c1 38799436 FTQVIXXZSJXQLZ-UHFFFAOYSA-N 424.508 4.773 0 1 HJAF Cc1cc(Cl)ccc1CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40865392 NMHBOONJNGEEIW-LJQANCHMSA-N 420.340 4.957 0 1 HJAF COc1ccc(C(=O)Cn2c(C(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 66074841 MCYUTFUFCIUNTB-UHFFFAOYSA-N 404.853 4.812 0 1 HJAF FC(F)(F)c1cccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1 96169875 VAWUUPYJGSJFQH-UHFFFAOYSA-N 423.442 4.847 0 1 HJAF CCOC(=O)Sc1nc2cc(N3C(=O)C4=C(CCCC4)C3=O)c(Cl)cc2s1 103203799 MUNMTSNPOOABQY-UHFFFAOYSA-N 422.915 4.942 0 1 HJAF C[C@H](N)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 149974035 KNBUMEMKNDWQDV-VIFPVBQESA-N 415.312 4.898 0 1 HJAF CC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 255205454 DEMDQMZDGUZBDH-SWWFHRKQSA-N 400.559 4.578 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299881540 OEBOLKNHEYCYKA-CVNLYIMZSA-N 416.562 4.519 0 1 HJAF Cn1ccc2nc(COc3ccc(-c4ccc(O)nc4-c4ccncc4)cc3)ccc21 473154715 KSBYZIGNXVSCPR-UHFFFAOYSA-N 408.461 4.982 0 1 HJAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2C1 587031993 OLMKGVAXCRTCSE-UHFFFAOYSA-N 424.448 4.998 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587162329 VNIZIUYJKZABQJ-ZIAGYGMSSA-N 403.251 4.912 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587242837 URKQKIGGUYJXOB-UHFFFAOYSA-N 412.209 4.893 0 1 HJAF COc1ccc(Br)c2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587371832 MYVLSWJQUASFAC-FQEVSTJZSA-N 416.271 4.975 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc4c(cc3nc1Cl)OCO4)CC2=O 587461923 OECYEAHXYOYZEL-SFHVURJKSA-N 411.841 4.982 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)CC2=O 587465760 HHZKLYIBPIFWHK-QFIPXVFZSA-N 414.864 4.964 0 1 HJAF CC(C)NC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513499 ASYTWVFQJPVULL-DEOSSOPVSA-N 416.521 4.751 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccc(F)c2)no1 587569642 IUDRAMFUMHKBRU-REWPJTCUSA-N 403.365 4.889 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cccnc12 587585231 CVSLAYJNALMGCP-PXDATVDWSA-N 409.397 4.798 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O 587691633 HGUMDFPQOCRZLP-BCTVWOGZSA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2c(Cl)ncnc2Cl)N1 587705677 NUKIAJRKWVVSIA-RDDDGLTNSA-N 405.098 4.503 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1 587729277 CRNZFFDHEOOLNX-BIBXISHDSA-N 418.285 4.751 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c3ncccc23)N1 587776470 CYBOOLJBFDCBNJ-PRWKNARSSA-N 401.279 4.640 0 1 HJAF COc1ccc2nccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587779913 WRKZLCOWTGFXBQ-BIBXISHDSA-N 401.279 4.769 0 1 HJAF COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587783360 PSPOJFQGXCAGQM-UHFFFAOYSA-N 413.193 4.727 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCc1ccc(F)cc1 587860695 DEPNIMKUBNIOMD-UHFFFAOYSA-N 409.408 4.639 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2cc(C)c(F)cc21 962297589 KBXXMEUMRWROLU-NRFANRHFSA-N 409.423 4.886 0 1 HJAF CC(C)(C[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1)NC(=O)OC(C)(C)C 962717510 UYLXSVSGTFNDRI-DNVCBOLYSA-N 408.583 4.924 0 1 HJAF Cc1ccc([C@@]2(c3cccc(Br)c3)NCCc3c(C(=O)O)cccc32)cc1 963120390 HJCXKIAKJBEEJA-QHCPKHFHSA-N 422.322 4.893 0 1 HJAF O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(-c4ccsc4)ccc3n2c1 1857596582 GWAHMUKAKVRQHQ-QFIPXVFZSA-N 401.535 4.645 0 1 HJAF CC(C)c1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 1857758764 GJUOQHLQGOQZDH-UHFFFAOYSA-N 424.518 4.914 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H]([C@@H]2CC(=O)NC2=O)O[C@H]1O 2356531974 DHMXAXCAWHUFET-SGIRGMQISA-N 415.574 4.882 0 1 HJAF CC1=C(CCC(=CC[C@@H]2OC(=O)C=C2CO)CO)[C@]2(C)CCCC(C)(C)[C@@H]2CC1 2356562231 QJXKKRHELODLFT-HWBMXIPRSA-N 402.575 4.862 0 1 HJAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 12479956 HVSNZFUOWSBMRN-MAUKXSAKSA-N 422.506 4.567 0 3 HJAF C[C@H](COc1ccccc1)OC(=S)N(C(=O)COc1ccccc1)c1ccccc1 3648418 YYOWZTRRPNMLDR-LJQANCHMSA-N 421.518 4.868 0 1 HJAF C[C@@H]1[C@@H]2NC(=O)N(CCc3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12 4598007 MTQWBMXRNYRODV-MJWYBRSISA-N 401.304 4.503 0 1 HJAF CC(C)(C)C(=O)Oc1coc(COC(=O)c2ccc(-c3ccccc3)cc2)cc1=O 26004234 OSHMRQHBVOKPOC-UHFFFAOYSA-N 406.434 4.615 0 1 HJAF O=C1c2ccccc2C(=O)N1CCCCCN1CC=C(c2c[nH]c3ccccc23)CC1 27406581 MBMKBYGCQNWXCQ-UHFFFAOYSA-N 413.521 4.724 0 1 HJAF C=Cc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28523031 JKBOCGBMQDHFHI-HLJLCZKJSA-N 424.544 4.510 0 1 HJAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc(O)cc1)[C@H](O)C2=O 31161049 ITVZAHAQSAAKJV-DNQXCXABSA-N 408.494 4.793 0 1 HJAF biogenic CCN(CC)C(=O)/C=C1\CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 34801186 XZGUOAXOYPYCGD-VXUOHWPJSA-N 400.607 4.645 0 1 HJAF Cc1oc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)nc1-c1ccccc1 82175646 RCLQDXAVJGRJRS-UHFFFAOYSA-N 416.456 4.750 0 1 HJAF O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(Oc2ccccc2)cc1 95578067 PBSNXRQAPKBFAK-FQEVSTJZSA-N 404.418 4.621 0 1 HJAF COc1ccc(/C=C/C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)cc1 95596936 PUOJUOMWQKCULY-LVMGUKCRSA-N 419.525 4.662 0 1 HJAF CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2 253687209 IIVLONMULFPENV-SRNFOCHHSA-N 414.549 4.991 0 1 HJAF C[C@H]1C[C@@H](O)[C@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 255263378 RTCXOPGJLHDJMS-YBSAPEGJSA-N 414.678 4.672 0 1 HJAF Fc1cc(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005520 XYRYQDPACHLLNS-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF Cc1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1C 587006943 UUGZJNRMLYGWTR-UHFFFAOYSA-N 408.299 4.819 0 1 HJAF COc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cn1 587085970 ABSVDGQZCXNXIG-FPLPWBNLSA-N 414.296 4.997 0 1 HJAF Cc1ccc2c3c(cc(Cn4cnc5ccccc5c4=O)nc13)-c1ccccc1C2=O 587096046 CJBHNSDUROZUBS-UHFFFAOYSA-N 403.441 4.513 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)cnc4[nH]3)nc2n1 587115056 LOLPLJJHNOUHGV-UHFFFAOYSA-N 406.437 4.732 0 1 HJAF C[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587154108 CVTQFLGZPGURLV-QGZVFWFLSA-N 408.658 4.909 0 1 HJAF COc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(I)c1 587179640 DHTYOBKVHKHBFS-UHFFFAOYSA-N 408.239 4.630 0 1 HJAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 587335426 WSTMHKXVTMENHS-GMAHTHKFSA-N 424.811 4.748 0 1 HJAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343047 AAGPGAAACRZFPU-NZQKXSOJSA-N 409.413 4.612 0 1 HJAF CN(C)/C=C\[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543341 BJITXXGXLOZRLG-OPWUYNBGSA-N 421.880 4.978 0 1 HJAF C[C@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551137 DRKRKXBNUHYQGU-OXJNMPFZSA-N 402.233 4.971 0 1 HJAF C[C@@]1(c2c[nH]c3nccc(Cl)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554398 XGQDMLDLUSLXBX-GCJKJVERSA-N 406.825 4.799 0 1 HJAF O=C(c1cncc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655575 AAMXDUPLYMAWRH-UHFFFAOYSA-N 413.383 4.578 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccccc3F)c(=O)c3ccccc23)c(O)c1 587667992 XBFHBZFZOPINGE-UHFFFAOYSA-N 403.457 4.744 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2N)N1 587677001 JPQWBCYDPLGMLK-VPTHRUTESA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cnn(C)c3)c2)N1 587762695 ZNJFJZFCJUMLAH-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804241 DDPQXBILPBZZRH-LHSJRXKWSA-N 420.322 4.709 0 1 HJAF COc1cc(/C=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587807809 NPFFOADXKCADET-QWTYKDCCSA-N 406.295 4.765 0 1 HJAF COc1ccc([C@@H]2C[C@@]3(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587828906 AYIILJBCTOGVGN-HBUDHLSFSA-N 420.322 4.878 0 1 HJAF O=C(O)COc1ccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 653711563 RXWMWVXXTSPHTJ-UHFFFAOYSA-N 409.869 4.693 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCCN1CCCC[C@@H]12 961748845 JKIBGUIZTBBUBM-PXDATVDWSA-N 411.590 4.682 0 1 HJAF CC(C)(C)Oc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962669878 PLFQHTLTYGPQMF-SQJMNOBHSA-N 404.510 4.600 0 1 HJAF CCn1c([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)nc2c(O)cccc21 962695880 GHXAQUWCFULWCM-WNSKOXEYSA-N 411.546 4.528 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)OC)c1c(Cl)cccc1OC 963244368 WIVZQDNNNOVSFA-QMHKHESXSA-N 401.934 4.812 0 1 HJAF CCCCOc1nc(N)c2nc(SCc3ccccc3)n(Cc3ccccc3)c2n1 1857590089 PUHGNHDWUKJYKC-UHFFFAOYSA-N 419.554 4.928 0 1 HJAF Cc1cc(Cl)cc2c1N[C@@H](c1c[nH]nc1-c1ccc(Br)cc1)NC2=O 1857745699 QJQCNLRJDPNCKB-QGZVFWFLSA-N 417.694 4.655 0 1 HJAF CCCCN(C)C(=O)c1ccc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)nc1 61905643 NPSBIQMUFSXOMD-IBGZPJMESA-N 423.586 4.786 0 3 HJAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1 602217 YLFBPUKBMRJHLM-UHFFFAOYSA-N 400.809 4.615 0 1 HJAF COc1ccc([C@@H](CC2(c3ccc(OC)cc3)SCCCS2)NC(C)=O)cc1 5856338 FWXAKPJMNPESII-OAQYLSRUSA-N 417.596 4.994 0 1 HJAF CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccccc2)cc1OC 13741647 LWDBJOPSRRNAKE-UHFFFAOYSA-N 416.538 4.588 0 1 HJAF CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ncccn23)cc1 26285576 DHDGRKQRYSSFRW-UHFFFAOYSA-N 408.546 4.631 0 1 HJAF CCC[C@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26830919 ICFXZBZASBXILF-HNNXBMFYSA-N 416.465 4.548 0 1 HJAF in-vitro CCC1=C(c2ccccc2)c2ccc(OC[C@@H](O)CO)cc2CCc2ccccc21 33889748 PWNFKFQZMLZBNA-QFIPXVFZSA-N 400.518 4.886 0 1 HJAF Cc1ccc(O)cc1C(C)(C)C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F 34802042 NECATTFIGHYGNH-JOCHJYFZSA-N 419.443 4.677 0 1 HJAF Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 34804150 XWJDHZVOOKZGCS-UHFFFAOYSA-N 421.472 4.885 0 1 HJAF CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1 40393539 OGYXCETZULPTMO-UHFFFAOYSA-N 405.523 4.838 0 1 HJAF O=C1OCC2=C1[C@H](c1cc(Br)cs1)c1ccc3ccc(O)cc3c1N2 71294197 XQFMCKHQNQIOCY-INIZCTEOSA-N 414.280 4.738 0 1 HJAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3ccc(F)cc3)ncnc21 82185487 YXKZRQNAGXTETH-HNNXBMFYSA-N 405.477 4.996 0 1 HJAF COc1c(F)cccc1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 95560952 QTWUWSMYXSGDDN-UHFFFAOYSA-N 414.912 4.867 0 1 HJAF COC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(C(C)C)cc3c2C)c1 114593337 DQSMMMTWUVJPIV-UHFFFAOYSA-N 403.525 4.921 0 1 HJAF CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4C(C)(C)C)ccc1c23 169308102 JZFPQXYCIYFFCS-UHFFFAOYSA-N 408.523 4.918 0 1 HJAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 169351784 VCSGEEANUKNLDX-UHFFFAOYSA-N 415.468 4.771 0 1 HJAF CC(C)(C)NCc1cn(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nn1 299838348 QEXOIKUJFDJQKP-UHFFFAOYSA-N 417.357 4.741 0 1 HJAF CC(=O)Oc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 473087571 KSMQENIKLMECPK-UHFFFAOYSA-N 417.284 4.750 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(F)c(C)c3[nH]1)C(=O)OC2 586915986 SZYHPQZYUMFGLX-LFYBBSHMSA-N 424.472 4.825 0 1 HJAF CCc1ccccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988557 LSIRNGNHZATZFV-UHFFFAOYSA-N 408.457 4.895 0 1 HJAF Fc1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995611 LGRUPXZFOHFGKU-UHFFFAOYSA-N 413.088 4.882 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)c(F)cc2[nH]1 587002232 XSRRCABIHDAMDH-ZDUSSCGKSA-N 407.674 4.842 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)cnc2[nH]1 587137285 XKOJKTHADZDVNU-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CCOC(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587164149 XBMNHVPRCVMOLE-UHFFFAOYSA-N 403.413 4.798 0 1 HJAF Fc1ccc(-n2nnc(-c3nc4ccc(F)c(Br)c4[nH]3)c2C2CC2)cc1 587168851 OWVJTRALIUXXPD-UHFFFAOYSA-N 416.229 4.729 0 1 HJAF CC(C)Oc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br 587251614 JYEMIDJNVOPDNV-UHFFFAOYSA-N 402.292 4.510 0 1 HJAF CCn1ncc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334510 UWFXCQIEWDWWIR-WIYYLYMNSA-N 400.837 4.675 0 1 HJAF CCOC(=O)[C@]1(CC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347024 KNTSGBTVHSWEAG-AUSIDOKSSA-N 400.446 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cnc(Cl)s4)c1)[C@@H](C2)C3=O 587453163 VGCGNMWBSCSIOF-JXFKEZNVSA-N 413.882 4.873 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(OCOC)cc1)(c1cccnc1)CC2=O 587486259 AVBCDHLOSNWNIQ-RUZDIDTESA-N 419.477 4.631 0 1 HJAF C=CN1CCCC[C@@H]([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587516158 ZAHXZBZSCOTQBQ-GJZUVCINSA-N 416.521 4.593 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)no1 587550215 VRXWFYHEMBOFJO-YLJYHZDGSA-N 420.808 4.799 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nn(-c3ccccc3)cc12 587583427 WCBJGAITAQCQJQ-ZEQKJWHPSA-N 424.456 4.771 0 1 HJAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12 587632202 SNCFILBLYWESKY-NSHDSACASA-N 410.873 4.862 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587763102 HZEPFIDGOYOTLV-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808117 OZTRLUWAWVOHRI-LRTDBIEQSA-N 422.338 4.988 0 1 HJAF Cc1cc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C 587840494 YCVMCBPERZFQTD-FKIZINRSSA-N 416.290 4.935 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587843912 UXVORCQLOPOPFD-GIPWTMENSA-N 404.279 4.758 0 1 HJAF CC(C)[C@]1(c2cc3ccccc3o2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962628835 FZGRWQYTOVSBKC-UTKZUKDTSA-N 419.399 4.830 0 1 HJAF Cc1cc([C@@]2(c3ccc(C)c(C)c3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccn1 962760571 GBVHPTLNNNRWMQ-LADGPHEKSA-N 424.466 4.944 0 1 HJAF Cc1cc2c(cc1O)[C@@H](c1ccccc1SCc1ccccc1)N[C@H](C(=O)O)C2 963469896 LMAJUDYWHKUOIX-NZQKXSOJSA-N 405.519 4.681 0 1 HJAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc(C)c(C=O)c2O3)C1(C)C 1857641678 DBXHPZZOVLNOBW-YGBZGYNCSA-N 414.542 4.991 0 1 HJAF CCC(=O)[C@H](C)C=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(C)[C@@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 2356532831 ZAIGREUAQVJOJF-AUFLJZSESA-N 414.542 4.556 0 1 HJAF CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C)(CC=C(CO)C1)CC[C@]2(OC(C)=O)C(C)C 2356649041 XNKTXYIUQKEKBK-YCAMKHIRSA-N 406.563 4.731 0 1 HJAF CC(C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@H](C)[C@H](O)C(C)=CC(C)C 2356734097 QQZJCNSHAVQKIC-RBZQAINGSA-N 401.591 4.644 0 1 HJAF CCOC(=O)[C@]12Cc3ccsc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 36383091 DRPYIRBBCKXYJJ-QPPBQGQZSA-N 403.503 4.502 0 3 HJAF O=C(NCCO)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 2483101 QGZOEOBFQBXAEX-UHFFFAOYSA-N 402.425 4.537 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1N 4080421 IRGRZHQWYDUDAS-RPWUZVMVSA-N 423.557 4.998 0 1 HJAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccc(Cl)cc1)O2 26182102 KVKWTXCWMNRXJC-OAQYLSRUSA-N 415.898 4.869 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Sc3ccccn3)CC[C@@H]12 26396878 FOOJBYZHQBYLFU-NOBFDZGFSA-N 410.583 4.614 0 1 HJAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCC(C(N)=O)CC5)cc4)cc3)nc12 45230784 SHTUOUZHYWBZGK-UHFFFAOYSA-N 424.548 4.903 0 1 HJAF Cc1ccc(N[C@@H](C)c2nc3ccccc3c(=O)n2CCO[C@@H]2CCCCO2)cc1C 45300562 VUPHLWZMXWYWHQ-WMZHIEFXSA-N 421.541 4.730 0 1 HJAF CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NCCN(C)C)n2)s1 64549006 WTRQXHALVSEXHZ-UHFFFAOYSA-N 416.982 4.714 0 1 HJAF CCO[C@@H](Cc1ccc(OCc2nc(-c3ccc(C)s3)oc2C)cc1)C(=O)O 72106200 FUFHOCLTOXNJGX-SFHVURJKSA-N 401.484 4.631 0 1 HJAF CCN(CC)C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73292467 SWLNYFKXWZZDQO-GOSISDBHSA-N 408.329 4.640 0 1 HJAF Cc1ccc(C)c(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 96173058 QOAKHLCNBPPPDU-UHFFFAOYSA-N 414.553 4.656 0 1 HJAF O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1Cc1ccco1 100080880 XGZMPBYVTSBLSM-OVSMBABESA-N 407.469 4.699 0 1 HJAF Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 142907222 QJNHNXFWOFSZPP-MRXNPFEDSA-N 415.522 4.594 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@@H]3O[C@]3(C)[C@@]21C 166038953 CSSGXDLJYUSHNP-ZSPJBMEVSA-N 416.558 4.748 0 1 HJAF CC1=Nc2[nH]ncc2[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 169724264 KBCXNVSUKKCULU-CVEARBPZSA-N 404.417 4.983 0 1 HJAF CCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1 206100492 PHDZAZAGNFFBLT-UHFFFAOYSA-N 404.493 4.685 0 1 HJAF COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@@H]2C)cc(OC)c1OC 238742904 RKSBJQZDPAGEQW-GQSHPZAJSA-N 416.470 4.535 0 1 HJAF O=C(CSCc1nc2cc(Cl)ncc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114279 QVZIHNTZXUWJAH-UHFFFAOYSA-N 400.813 4.502 0 1 HJAF Oc1c(F)cc(F)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587134071 KOGJMBCZUHWPHJ-UHFFFAOYSA-N 409.108 4.875 0 1 HJAF COc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1 587161474 RMMJXPIPMBQUGU-UHFFFAOYSA-N 415.222 4.722 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250281 ZIARLKIPTCSGJF-UHFFFAOYSA-N 420.538 4.510 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)cc(Br)c1O)[C@@H](C2)C3=O 587411126 BSCFTGKMTWOXCY-RNODOKPDSA-N 417.299 4.950 0 1 HJAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN(C)C 587567865 AJPRORKVACJPEK-RCZVLFRGSA-N 419.477 4.555 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cnccn2)c1 587589341 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N[C@H](Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61926138 QQLNVFCIFNEIPV-QGZVFWFLSA-N 407.474 4.851 0 3 HJAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 774956 ZVCSOLJCBQANJK-VQTJNVASSA-N 424.472 4.580 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCC(C)(C)CO 4310438 MPYVNZQHSMOUDG-RTBURBONSA-N 412.933 4.628 0 1 HJAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13542730 HYXUDBBVUZEPTI-CVCKCIDVSA-N 411.380 4.903 0 1 HJAF biogenic O=C(OCc1ccc(CN2CCC(O)CC2)o1)[C@@H](c1ccccc1)C1CCCCC1 13602023 DDNBSKGLMXNTLR-DEOSSOPVSA-N 411.542 4.644 0 1 HJAF CCCCN1CCN([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1 22939785 OCELNBAHYXGUKT-VWLOTQADSA-N 407.602 4.676 0 1 HJAF COc1ccc(N2Cc3cc(Cl)ccc3C2=O)cc1OCCN1CCC(C)CC1 28819745 LLWKDZOJBDXOOK-UHFFFAOYSA-N 414.933 4.620 0 1 HJAF CC(C)(C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2c1OCC2 35826772 YROYMPDJQKBNTG-OAQYLSRUSA-N 404.432 4.702 0 1 HJAF CC(C)NC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 40394488 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NNKPHXYKTZDRRB-UHFFFAOYSA-N 406.461 4.628 0 1 HJAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc4ccccc14)[C@@H]23 299839810 ZJQLSKQCIQMXTE-APJZGJRSSA-N 406.570 4.770 0 1 HJAF Cc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 473087958 MVXBOLWBFYJUIN-RTBURBONSA-N 414.431 4.782 0 1 HJAF CSc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586939869 YEGFUNNTPMSVMZ-KRWDZBQOSA-N 409.964 4.614 0 1 HJAF COC(=O)c1cc2[nH]c(Cc3cccc(-c4ccc(F)cc4OC)c3)nc2cc1OC 587158305 BWBTWQRYIFUGKY-UHFFFAOYSA-N 420.440 4.764 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(C)(C)C 587206972 ZIXLCQGMGBEIGF-AWEZNQCLSA-N 401.429 4.943 0 1 HJAF C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352592 LGRAHAJLZUKMBA-QLOWZPRHSA-N 422.496 4.980 0 1 HJAF COC(=O)c1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587379344 XZQKFOPYHYXQBI-SIKLNZKXSA-N 412.438 4.654 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C4OCCO4)cc3)cc1)O2 587414582 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4.563 0 1 HJAF COc1ccc(OC)c2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587806731 ISOKEUBDKKGTIZ-LAJNKCICSA-N 420.322 4.720 0 1 HJAF CCOc1ccc(-c2cc(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)n[nH]2)cc1 587872345 KBBAMCVVPZNCSE-UHFFFAOYSA-N 420.444 4.565 0 1 HJAF CO[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1 1772573335 ZHWVYCAWJYUSGZ-KOMQPUFPSA-N 406.408 4.664 0 1 HJAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(O)nc4cnccc43)CC2)[C@@H]1c1ccccc1 1772590814 VNRKPTDAMCLGEX-MBOZVWFJSA-N 406.486 4.593 0 1 HJAF CCCOc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n([C@@H](C)c3ccccc3)c2n1 1772614915 AUTYESUULAZCIX-KRWDZBQOSA-N 402.498 4.504 0 1 HJAF CCOP(=O)(OCC)[C@@H](N(O[C@H](C)n1cc[n+](C)c1)C(C)(C)C)C(C)(C)C 1857566735 BEBGZMBAAKJZSE-IAGOWNOFSA-N 404.512 4.502 0 1 HJAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1C3 2356472595 CFWQLQINZAVWGP-LWZHYZBXSA-N 412.526 4.609 0 1 HJAF CC(=O)O[C@@H]1C[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]2C(C)(C)[C@H]1OC(C)=O 2356678735 RIVHNPMZWXZMQB-LMEXZFPPSA-N 420.546 4.680 0 1 HJAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356729192 MJYDLLGMRPMYSO-TUNNFDKTSA-N 416.581 4.849 0 1 HJAF COC(=O)[C@](O)(c1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1 206048322 CXSJUNKKBUBEMY-GMAHTHKFSA-N 411.885 4.563 0 3 HJAF COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2 6385162 DUJICMBMSJYNPU-MUUNZHRXSA-N 414.545 4.927 0 1 HJAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(-c3ccc(N)cc3)oc2=O)cc1 13581322 SMSIQUPBSSSMRC-UHFFFAOYSA-N 417.486 4.627 0 1 HJAF CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1 34479384 UXIVLMXEVWDSPG-INIZCTEOSA-N 423.160 4.585 0 1 HJAF CC(C)NC(=N)c1ccc(OCCCCCOc2ccc(C(=N)NC(C)C)cc2)cc1 40430903 PMVYBNJDAXDQKV-UHFFFAOYSA-N 424.589 4.961 0 1 HJAF C[C@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 43201963 YNEHHYSBEUXFNE-IBGZPJMESA-N 408.505 4.648 0 1 HJAF CC1(C)CN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCCO 58504663 LYDWOPLSIWWSOT-GGAORHGYSA-N 416.968 4.834 0 1 HJAF CC1(C)CC(c2ccccc2)=Nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cnn21 64550063 BXPUDMBSRPQHNB-UHFFFAOYSA-N 402.542 4.841 0 1 HJAF Cc1ccc(-n2c(S)nnc2N2N=C(c3ccc(CC(C)C)cc3)CCC2=O)cc1 66104400 IKBSXAXLGZLSAU-UHFFFAOYSA-N 419.554 4.594 0 1 HJAF O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100101796 RZQHJILGLACMBO-JKHIJQBDSA-N 423.438 4.743 0 1 HJAF C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102072288 PIORQFHAMSBSER-KKXDTOCCSA-N 418.331 4.538 0 1 HJAF Cc1ccc(NC(=O)[C@H]2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144685639 ROUKOTHIYUQBSA-IBGZPJMESA-N 415.493 4.534 0 1 HJAF Cc1nc(NC[C@H]2CCCN(C(=O)C3(C)CC3)C2)cc(-c2ccc3ncsc3c2)n1 205827685 KLVDTKXERXLJFE-MRXNPFEDSA-N 421.570 4.512 0 1 HJAF CCOC(=O)C[C@H](Nc1cc(-c2cccc(OC)c2)nc(C)n1)c1cccc(OC)c1 205841269 CGVDBEFERLMISR-QFIPXVFZSA-N 421.497 4.576 0 1 HJAF COc1ccc(CCC(=O)c2c(O)cc(O)c(C/C=C\c3ccc(O)cc3)c2O)cc1 222507575 LQXPQKJJPFBMGO-IHWYPQMZSA-N 420.461 4.589 0 1 HJAF COc1cccc2c1Oc1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 238742844 HSAHLFWGHGZSHW-HBFSDRIKSA-N 423.509 4.741 0 1 HJAF O[C@@H](Cc1ccc(Br)cc1)CN1[C@H]2CC[C@H]1CC(c1ccccc1)C2 253687352 IYFITMLPVWGURC-FKBYEOEOSA-N 400.360 4.763 0 1 HJAF Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2cccs2)n1 473180430 PYEBVJKPFDDXSJ-WAOWUJCRSA-N 419.550 4.894 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(C)cc3[nH]1)C(=O)OC2 586915489 NSWHXQCCLJXWLL-WLRTZDKTSA-N 406.482 4.686 0 1 HJAF Cc1nn(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1Br 586978853 KYNHULBDKQMLQC-UHFFFAOYSA-N 405.243 4.799 0 1 HJAF Cc1nc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1Br 587204052 HJTQJVKEBNXRLO-ZDUSSCGKSA-N 411.344 4.511 0 1 HJAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587229619 ACUCOPMPFGJQEN-MOPGFXCFSA-N 409.555 4.751 0 1 HJAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587245730 YOPBDSDGPIDLTC-UHFFFAOYSA-N 400.360 4.721 0 1 HJAF Nc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1CC(=O)O 587251024 WNYSLGTYZAMKFP-UHFFFAOYSA-N 400.463 4.716 0 1 HJAF Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 587251524 HYSQIQPOYVEELV-KGVSQERTSA-N 424.913 4.770 0 1 HJAF COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2cc(C)cc(N)c2O1 587406922 FSBSUXLQZYIYCM-VWLOTQADSA-N 415.445 4.586 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc([C@@H](C)C(=O)O)cc21 587407044 GYFYUKIYPNJNSC-PWECECGKSA-N 415.445 4.780 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc4c1N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O 587445329 VBGWWIKYGAMEOS-FDDCHVKYSA-N 421.493 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(O)c1Br)CC2=O 587457389 XWPLFVZBASYDPV-MRXNPFEDSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(I)cc1)CC2=O 587473298 ZPMWGWDFUCBAHS-LJQANCHMSA-N 422.262 4.830 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3[nH]c(=N)[nH]c3c1)CC2=O 587484843 NWVAGBQFDICVDS-VWLOTQADSA-N 413.477 4.543 0 1 HJAF Cn1ccnc1SC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532871 PLLFZSQQBZCAHM-XMMPIXPASA-N 420.534 4.658 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Cn1ccnc1 587579162 STCOAUSEZHSSCI-QATBIIFWSA-N 404.466 4.570 0 1 HJAF CC(=O)Oc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600056 KKIOICRZDRVSRM-WIOPSUGQSA-N 418.445 4.671 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2occc2Br)N1 587680855 QREVRUWEHWQKNT-GLEZIHRCSA-N 403.089 4.741 0 1 HJAF Cc1nn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587693116 CWUCOOZORYUIIL-VVVCHXIZSA-N 400.723 4.505 0 1 HJAF COc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587710607 TYNRTNYISDGMIR-QGHHPUGFSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cccc(N)c12 587746439 MWWLZMUHPIWDNT-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF COc1ccc(C[C@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC 587927511 VLAYNRYJVSKQAT-AWEZNQCLSA-N 402.498 4.758 0 1 HJAF Nc1oc2ccc(Cl)cc2c(=O)c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962995311 FTHHGZKEWZCENG-FQEVSTJZSA-N 423.925 4.633 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c(CC)c1CC(=O)O 1772581333 FRAJDNDXWZJDCB-UHFFFAOYSA-N 402.498 4.535 0 1 HJAF CO[C@]12C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)C4=CC=C(C(=O)N1)[C@@H]32 1857565744 IEOHVPIKTTWVQR-BXKAQXMSSA-N 411.586 4.677 0 1 HJAF CC(=O)Nc1cc2c(cc1OCc1ccccc1)CN1CCc3sccc3[C@H]1C2 1857636036 KEDVIIWHNNUEDV-JOCHJYFZSA-N 404.535 4.941 0 1 HJAF CCN1CCc2cc(-c3c(C)nc4c(OCc5ccccc5)cccn34)ccc2C1=O 1911572771 OQOJDXLAYIUSOK-UHFFFAOYSA-N 411.505 4.907 0 1 HJAF COC(=O)CCC(=O)OC[C@@H]1CC[C@]2(C)C(C)=CCC[C@H]2[C@]1(C)CCC(C)=CCO 2356617156 SULVCIDWKZEIQU-ZNDGRNAPSA-N 420.590 4.981 0 1 HJAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 2356807115 WDTBQSJQTGAXSP-SHYGIIKLSA-N 406.563 4.586 0 1 HJAF COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)OCC(C)C)on2)c(C)c1 61896693 YUGLSJDGFNRWLM-IBGZPJMESA-N 415.490 4.564 0 3 HJAF O=C(N[C@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1ccc(-c2ccccc2)cc1 199410472 TYOWYGSXNSOXPI-DEOSSOPVSA-N 416.496 4.804 0 3 HJAF CCn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2sc(Cl)cc21 5036642 ZFZOTGXSSAKNAI-UHFFFAOYSA-N 401.963 4.554 0 1 HJAF CCN(CC)C(=O)/C=C(\C)c1ccc(SCc2ccccc2)c(OCC(=O)O)c1 13782717 FSSTZDCSVAWIAA-GHRIWEEISA-N 413.539 4.714 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@@]12C 14409485 CAOAPQVYLIYACO-IMSNMJNPSA-N 420.590 4.979 0 1 HJAF biogenic CCC[C@H](CCc1nnn[nH]1)Cc1cccc(OCc2ccc3ccccc3n2)c1 26721911 BSBGMXWCCNLNRH-GOSISDBHSA-N 401.514 4.919 0 1 HJAF O=Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1 26726913 GCHNPFPUZFVTNP-UHFFFAOYSA-N 422.916 4.869 0 1 HJAF CC(C)Oc1cccc(NC(=O)c2cc([C@@H]3CCOC3)c3cc(C(=N)N)ccc3c2)c1 26834761 HLWKBMWAJJZWIT-GOSISDBHSA-N 417.509 4.667 0 1 HJAF Fc1ccc2[nH]cc(CCNC[C@H]3CN(Cc4ccccc4)c4ccccc4O3)c2c1 28571216 JRDGPFOLEBMUQC-QFIPXVFZSA-N 415.512 4.907 0 1 HJAF O=C(NCc1cccs1)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 40423751 KBAWMZYBYSYZSO-QHCPKHFHSA-N 418.562 4.578 0 1 HJAF CC(C)(C)OC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40865605 XJQHLVCPNYJTCJ-FXXPWJDUSA-N 406.607 4.710 0 1 HJAF C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC2)c1ccc(C(=O)O)cc1 66258564 MYBAXLRWSSWELQ-INIZCTEOSA-N 418.468 4.578 0 1 HJAF COc1ccc(N)cc1CN1CCC(=O)[C@@H](C(c2ccccc2)c2ccccc2)C1 72106413 HNADAHHCTSBAMF-QHCPKHFHSA-N 400.522 4.501 0 1 HJAF Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CCCCC3)C2)cc1 72141131 CBXDCFAKWOJLIL-QHCPKHFHSA-N 416.569 4.813 0 1 HJAF COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCC(C)CC3)n2)cc1 82066735 HPIXQPIKGMBCRA-UHFFFAOYSA-N 411.550 4.901 0 1 HJAF COc1ccc2c(c1)C[C@H]1c3cc(OCc4ccccc4)c(OC)cc3CCN1C2 84687187 KVLVOKVDVFFEIQ-DEOSSOPVSA-N 401.506 4.938 0 1 HJAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccc(Cl)cc3F)ccc1O2 95575928 MZAQHZZELBJHGJ-QFIPXVFZSA-N 410.832 4.849 0 1 HJAF O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2cccc(Cl)c2)no1 95577757 PRZAETCRIPFGSL-UHFFFAOYSA-N 406.873 4.577 0 1 HJAF CCCCOc1cc2nnnc(Nc3cccc(Br)c3)c2cc1OC 103295896 NDWSWNAFLJUGQH-UHFFFAOYSA-N 403.280 4.718 0 1 HJAF Cc1c(Cl)ncnc1N1CCc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2CC1 146449063 YSARDZCQWSGVAK-UHFFFAOYSA-N 422.964 4.875 0 1 HJAF O=S(=O)(c1ccc2sccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147578979 FWOGTDBCMLLECF-UHFFFAOYSA-N 403.912 4.779 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 169359161 KGFRQVJXQKRIGD-BITLHWQFSA-N 402.538 4.733 0 1 HJAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1F 223851075 UFVVLUUDTNDRGT-UHFFFAOYSA-N 410.298 4.717 0 1 HJAF CCN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 253751926 JSVCHYCWIRWLJK-IANXRNFBSA-N 420.597 4.953 0 1 HJAF C[C@@H]1CC[C@]2(C[C@@H]3[C@@H](C[C@H]4[C@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5CC(=O)[C@@]43C)O2)OC1 255274876 WCISCSNGCNVQFW-QBHFUUHYSA-N 416.602 4.727 0 1 HJAF Cc1nc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2cc1Br 586900364 HCSANEGXCYOMOY-UHFFFAOYSA-N 412.243 4.680 0 1 HJAF COc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1F 586967745 FEFNHHNBBNJXNM-UHFFFAOYSA-N 403.870 4.545 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587025905 IXJBZFFKSLSQAS-KKXDTOCCSA-N 401.482 4.978 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587041891 HKUDTZXCGUQHJT-QGZVFWFLSA-N 401.919 4.811 0 1 HJAF Nc1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-c2ccccc2Cl)n1 587061611 WERORRJROCEYHR-UHFFFAOYSA-N 405.767 4.821 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071766 RAIKJBKBVNVSOT-UHFFFAOYSA-N 412.898 4.866 0 1 HJAF CC(C)Oc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br 587088831 SGWVKGCEZYMTJR-SNVBAGLBSA-N 400.267 4.862 0 1 HJAF CCOc1ccccc1[C@](N)(c1nc2cccc(C(F)(F)F)c2[nH]1)C(F)(F)F 587091118 BNHMDSMZVQDJLE-INIZCTEOSA-N 403.326 4.745 0 1 HJAF O=S(=O)(Nc1cc(-c2nc3ccc(O)cc3[nH]2)ccc1Cl)c1ccc(F)cc1 587170722 GTNGNAABPBWFKV-UHFFFAOYSA-N 417.849 4.529 0 1 HJAF CC(C)Oc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br 587245031 UXXRYADCRVZNJR-CMDGGOBGSA-N 400.276 4.765 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(COc3ccc(Cl)cc3C2)[C@@H]1c1ccc(F)cc1 587330644 OPAWYPJPYMSJRE-GGAORHGYSA-N 410.828 4.918 0 1 HJAF CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587375249 KPNPAWKGSLWODO-FQEVSTJZSA-N 408.281 4.698 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3C(F)(F)F)CC1)O2 587381168 GXXKWPHCNZUQRY-UHFFFAOYSA-N 404.432 4.596 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)Nc1ccccc1 587391394 SWGQWUIWHWBIEZ-OAQYLSRUSA-N 418.449 4.903 0 1 HJAF O=C1C[C@H](c2cccn2[C@H](C(=O)O)c2ccccc2)Oc2c1ccc1c2CCCC1 587512291 MUUSNQVUNFHVSF-PKTZIBPZSA-N 401.462 4.747 0 1 HJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(=O)O 587514507 GNDKDFDSIFAKKA-VWLOTQADSA-N 403.478 4.794 0 1 HJAF Brc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Br 587565953 NKRFTNUCMSRJOC-UHFFFAOYSA-N 410.109 4.847 0 1 HJAF COc1cccc(C[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602839 ZIFFQHNNZVMYDM-DHLKQENFSA-N 402.446 4.754 0 1 HJAF O=C(O)c1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605558 BAWITJYKXYQSHA-SQJMNOBHSA-N 416.429 4.674 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC[C@@H]1CCCO1 587605783 BAMDKTLWZVPLMF-AGSBLFPASA-N 418.445 4.653 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)nc3)c(=O)c3ccccc23)c(O)c1 587666257 VXQWFFFBTUHGCZ-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1 587711300 JQEZXTJLKATTON-VPTHRUTESA-N 404.201 4.936 0 1 HJAF CC(C)n1cc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c2ccccc21 962674086 VISQUSLAOFBBIN-BVAGGSTKSA-N 413.521 4.958 0 1 HJAF CCCN1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 1772623527 FFCRKESJGXTNRJ-PXDATVDWSA-N 419.569 4.790 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]3C1(C)C 2356384854 CVMAUJSKSKXOQX-RQJUVQQPSA-N 416.558 4.650 0 1 HJAF CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)CC=CC(=O)O)[C@@H]21 2356397266 LLLDEXYDMUTZRN-SSCOZWKLSA-N 404.547 4.521 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214074 OEBOLKNHEYCYKA-VLSUOOLDSA-N 416.562 4.519 0 1 HJAF COc1ccc2c(c1)N=C(c1cccs1)N=C(c1ccc(N3CCOCC3)cc1)N2 6743728 UXKJIPRYVGQRQY-UHFFFAOYSA-N 418.522 4.544 0 1 HJAF O=C1NS(=O)(=O)N(Cc2ccc(-c3ccccc3)cc2)c2c1sc1ccccc21 13805289 BOTSDLQGWOVPLG-UHFFFAOYSA-N 420.515 4.563 0 1 HJAF C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 34283920 UDSXXZFTNZSJDL-MWTRTKDXSA-N 409.913 4.959 0 1 HJAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1 105520932 WFBVRMMXMLCJRR-ZYNUUPFYSA-N 404.466 4.527 0 1 HJAF COc1ccc(C2=C(c3ccc(O)cc3)[C@H](CC(C)=O)Oc3cc(O)ccc32)cc1 299820049 CJGRGUJVGGISFA-QHCPKHFHSA-N 402.446 4.806 0 1 HJAF Oc1ccc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cc1 586899043 WEBSEQLBDPYWIP-UHFFFAOYSA-N 413.218 4.602 0 1 HJAF Oc1cccc2c1OCC(c1nc3cc(Br)c(C(F)(F)F)cc3[nH]1)=C2 586908293 MSONQEFSLGKKPE-UHFFFAOYSA-N 411.177 4.983 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587013270 RCBIFIUDROHKHX-UHFFFAOYSA-N 412.696 4.766 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587043046 OZTVJKNIUCVGJL-CYBMUJFWSA-N 423.325 4.551 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(OC)cc3[nH]2)c1 587050079 MPMGKHMOFFGTEZ-MDZDMXLPSA-N 412.877 4.615 0 1 HJAF O=C(CCCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1 587081906 ILKWRLAFOFBGSJ-UHFFFAOYSA-N 414.637 4.858 0 1 HJAF Fc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 587116864 BNKRJBMXVOOGFS-UHFFFAOYSA-N 403.177 4.606 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCNC2)[C@H]1c1ccc(F)cc1 587351249 ZRKUKMLJAOXKCV-VFHOHQAYSA-N 417.480 4.785 0 1 HJAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351697 KTFFPBXBGDEHTM-ZCQOHWRVSA-N 412.457 4.786 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439631 VOTFSWLBFKHYMN-SDWUMEBZSA-N 415.530 4.771 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1Br 587541417 UMSPBRXASWBZKD-JXFKEZNVSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1C(F)(F)F 587545684 HDJVTECIKCUDGT-YLJYHZDGSA-N 402.324 4.820 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncc2Br)N1 587681205 JLPOMGQVJSRJKY-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF CCN(/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)CC 587707980 YWQDAAYINIRUKW-VCSMJCPESA-N 409.265 4.736 0 1 HJAF Cc1ccc2nc(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587776813 DUKGIBRUKZFWDC-WLRWDXFRSA-N 401.279 4.774 0 1 HJAF CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794825 HCAXTPYFMAABIA-TVZGQMOCSA-N 400.332 4.707 0 1 HJAF Cc1nc(NC[C@@H]2CCCN(C(=O)C3CCC3)C2)cc(-c2ccc3ncsc3c2)n1 653665406 VJDDTTIHMCBWNA-INIZCTEOSA-N 421.570 4.512 0 1 HJAF O=C(/C=C\c1cccc(F)c1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653719051 FANGEVCHIJBRGB-XXXZYALBSA-N 412.424 4.635 0 1 HJAF Cc1ccc(-c2noc(C)c2[C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731777 UKHRDRSTTLDWAJ-XLIONFOSSA-N 400.400 4.694 0 1 HJAF COc1cc(N(CC2CC2)c2ccc3ccccc3c2)cnc1C(=O)[C@H]1C[C@H]1C(=O)O 1772618815 CLIHVYIXCIRSKQ-LEWJYISDSA-N 416.477 4.695 0 1 HJAF COc1cccc(NC(=O)c2cccc(C3(CNCc4ccccc4F)CC3)c2)c1 1857589850 CAQIHCMXUSZPOU-UHFFFAOYSA-N 404.485 4.908 0 1 HJAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)c(C)c1 1857636535 ATVMATMJVBIANN-UHFFFAOYSA-N 403.438 4.655 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@@H](C)SC23CCC(C)CC3)[nH]c2ccc(Cl)cc12 1911573865 DNVTVEKAFVPHAN-RAOFGAQOSA-N 405.951 4.645 0 1 HJAF CC=C(C)C(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]2CC[C@H]1C3 2356468885 UIUJNISMUICRML-AVCGTXGFSA-N 404.591 4.631 0 1 HJAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@@H]12 2356522506 JRJQERYJSFEBBL-RMCXYWFVSA-N 406.563 4.586 0 1 HJAF CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356631365 ZSHVSBCOLVBOLB-HUVFLSCGSA-N 400.515 4.869 0 1 HJAF CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 6725261 MZHNWFRXQJYOIJ-RTWAWAEBSA-N 406.507 4.696 0 1 HJAF CC(C)C[C@H]1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 13532829 GQMKJIVMMQHGLX-HSZRJFAPSA-N 400.526 4.609 0 1 HJAF O=C(C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)OCc1ccccc1 13860450 CGQDAOUXFCPXQC-NRFANRHFSA-N 418.880 4.632 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@H](C)[C@@H]3OC(C)=O 14919138 UVGXEFBQPYOCKP-RDXCRGQUSA-N 412.482 4.951 0 1 HJAF biogenic O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1ccc(OCc2ccccc2)cc1 14979797 CDPFIJGBIPXSIL-UHFFFAOYSA-N 402.450 4.784 0 1 HJAF Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)n[nH]1 34390626 XLXSRNTZHMLTMP-UHFFFAOYSA-N 416.510 4.905 0 1 HJAF CCCN(CCC)c1c(CC(C)(C)O)nc(-c2c(C)cc(C)cc2OC)nc1OC 40430406 RKJPFEPBPFJHOG-UHFFFAOYSA-N 415.578 4.717 0 1 HJAF CC(C)=CCc1c([C@H]2CCc3ccc(O)cc3O2)cc2c(c1O)OC(C)(C)[C@@H](O)C2 49181808 FEZVNZBNOAECEC-IRLDBZIGSA-N 410.510 4.747 0 1 HJAF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccccc2Cl)S3)c1 73294534 CMMBNINETFODBE-OAHLLOKOSA-N 423.723 4.718 0 1 HJAF CNc1nc2cnc(Nc3cccc(C)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 82081965 NYMKSPSMXDOKLO-UHFFFAOYSA-N 419.485 4.540 0 1 HJAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc(C)c2)C1 82145621 HMSHOIISBHXGIN-MOPGFXCFSA-N 410.562 4.551 0 1 HJAF C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C 82159855 WCZILEKOMSKCAJ-RRTIHBJFSA-N 422.548 4.905 0 1 HJAF CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2C[C@H]1CCCO1 82186748 RAXULERQUIUGFB-UYAOXDASSA-N 407.562 4.954 0 1 HJAF O=C(O)CC1=C/C(=C\c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2ccc(F)cc21 84726130 KVRVIXVFNLNKSE-KPKJPENVSA-N 412.360 4.532 0 1 HJAF CCC[C@@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 85943433 JDIQSGWDOULBFU-IHRRRGAJSA-N 402.487 4.623 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO 95869428 FXJNLPDGOMRLCK-GPUOULLFSA-N 419.569 4.570 0 1 HJAF O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877942 HKSRNOMJXSTDLM-CTUHWIOQSA-N 420.459 4.622 0 1 HJAF COC1=C(F)[C@@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169305306 WWWWZFLJGIDVFC-WHSLLNHNSA-N 421.438 4.925 0 1 HJAF O=C([C@@H]1CCN1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21 205204652 BTNOINVKCYMFRV-NRFANRHFSA-N 416.352 4.583 0 1 HJAF CC1=C(CC/C(=C/C[C@@H](O)[C@@H]2COC(=O)C2)CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 238755928 DEISXVKTBRGZKW-AVSPGNRDSA-N 404.591 4.942 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc4ccc(Br)cn4c3)nc1-2 587007007 WGGOEGZQIBCYMU-UHFFFAOYSA-N 416.588 4.659 0 1 HJAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cs1 587013911 DYIHEZABOMMUMW-UHFFFAOYSA-N 416.400 4.869 0 1 HJAF CC(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031834 PTPDZCHWJYHSDR-VJMCZWTHSA-N 412.540 4.892 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@H]1c1ccccc1Cl 587061596 OKRGRCSZGKHXNP-VBKZILBWSA-N 419.859 4.588 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2Cl)c1 587161119 KCUGRQALHAXXGO-UHFFFAOYSA-N 413.737 4.820 0 1 HJAF Cc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1F 587231945 YASGCHNXYPNOBU-UHFFFAOYSA-N 404.445 4.900 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)O2 587395189 LLHXAJNLJODMEW-DFBJGRDBSA-N 422.525 4.706 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)c(Cl)c1)(C(=O)O)CC2=O 587462641 QALJIETZSWGTDA-HXUWFJFHSA-N 409.265 4.683 0 1 HJAF C=CN1CCCC[C@H]([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587514674 OHPBHHNFVORXIO-BKMJKUGQSA-N 416.521 4.593 0 1 HJAF C[C@@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554760 JFHJOLCRFZGTLO-PXNSSMCTSA-N 401.340 4.683 0 1 HJAF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622287 IECPMHSEVIZXEG-UHFFFAOYSA-N 420.213 4.984 0 1 HJAF Cc1ccccc1-n1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757197 GFNQZVCYLUNWPI-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncccn3)cc2)N1 587775913 UYPTXNVTJXKBFQ-CWTRNNRKSA-N 414.278 4.794 0 1 HJAF CCN1C(C)=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21 587776294 XAIVKLVNSXDHGC-XUSGNXJCSA-N 416.338 4.692 0 1 HJAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587800505 YDZQOPZBZGULCF-HKZYLEAXSA-N 420.322 4.565 0 1 HJAF COc1ccc(C)c2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12 587869286 GDABHFQYLPCBSI-UHFFFAOYSA-N 420.416 4.888 0 1 HJAF CCS(=O)(=O)c1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587938152 UBNGVODSCQFNTB-JOCHJYFZSA-N 406.507 4.545 0 1 HJAF Oc1cc(C2CCCCC2)c(O)n1-c1cc(Br)cnc1Br 587939515 FBHMTFJJWZBNOD-UHFFFAOYSA-N 416.113 4.856 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(c1cccc(Br)c1C)N(C)[C@@H](C)C2 962626777 GEBGJZVLSBARAF-YEJXKQKISA-N 404.348 4.915 0 1 HJAF Cc1ccc(-c2noc(C)c2[C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731775 UKHRDRSTTLDWAJ-FXAWDEMLSA-N 400.400 4.694 0 1 HJAF Cc1cc(=O)oc2cc(NC(=O)CCCCCCNC(=O)OC(C)(C)C)ccc12 1772637637 QSCTVBYOBQCNHF-UHFFFAOYSA-N 402.491 4.515 0 1 HJAF C[C@@H](Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 11753752 BQRHOISSWJKRSW-KRWDZBQOSA-N 414.981 4.933 0 3 HJAF O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 2456508 MOEWLMFJEWMQMY-FQEVSTJZSA-N 413.315 4.509 0 1 HJAF CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13832221 KXYZOYTVIFVJMM-UHFFFAOYSA-N 407.514 4.601 0 1 HJAF COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC(C)C 28827114 PEEULTQGCKYEQB-UHFFFAOYSA-N 409.530 4.948 0 1 HJAF in-vitro O=C(Nc1ccc(Cl)cc1)N1CCOc2cc(Oc3ncnc4[nH]ccc34)ccc21 29134175 WKYGYDSSKPUCLH-UHFFFAOYSA-N 421.844 4.835 0 1 HJAF Cc1ccccc1CN1[C@H](c2ccccc2)COc2c(Cl)cccc2S1(=O)=O 72136647 ZROWBOYMKZKDFY-FQEVSTJZSA-N 413.926 4.973 0 1 HJAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1 82082672 VUWVDXKMUMOBHA-SFHVURJKSA-N 404.532 4.671 0 1 HJAF O=C(Nc1ccc(F)c(-c2nc3ncc(Br)cc3o2)c1)c1ccco1 103260144 HQMIVABDAWNJOC-UHFFFAOYSA-N 402.179 4.637 0 1 HJAF CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CCNC4=O)nc2ccccc21 117687629 YVIQVJHNCXAZGY-OAHLLOKOSA-N 415.497 4.519 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167385939 ZEBODEPVZIPGLD-UTKZUKDTSA-N 402.494 4.876 0 1 HJAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3cccc(F)c3)c21 169722229 BDEXBHZFFRSETC-NRFANRHFSA-N 422.387 4.853 0 1 HJAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)cc3F)no2)n1 203004814 FVAJEHOXQOXMNR-UHFFFAOYSA-N 423.427 4.674 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(-c3ccncc3)cc2)n1 221129834 URTXZANJCQEJGV-OXQOHEQNSA-N 403.486 4.693 0 1 HJAF CC(C)(O)CCc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2 238744849 SCVBTSDEUVOJDM-UHFFFAOYSA-N 422.477 4.759 0 1 HJAF CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4CC[C@@]5(O)C[C@]43C=N5)[C@@]2(C)CCC12OCCO2 474608960 NDIREZMSFMEHPW-WJEUCWBXSA-N 401.591 4.942 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1 587028645 YGGHEXVSTGHZKK-UHFFFAOYSA-N 417.288 4.539 0 1 HJAF O=C1c2ccccc2-c2cc(Cn3cc(C(F)(F)F)ccc3=O)nc3cccc1c23 587102534 AABNHYMGVGANGE-UHFFFAOYSA-N 406.363 4.675 0 1 HJAF CCOC(=O)C[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350970 SRXUPEBYNRRWGV-JTHBVZDNSA-N 400.446 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)cc(Br)cc31)O2 587374356 XFBJAHSUQKHCFE-SFHVURJKSA-N 408.679 4.636 0 1 HJAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587421810 NDUUEFIXQGLYBO-RNODOKPDSA-N 407.249 4.510 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3c(Cl)cc(Cl)cc31)CC2=O 587462861 RCHAJAMCKKKNOO-FQEVSTJZSA-N 407.249 4.821 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 587488609 QSHFBXOVVGOTED-PMACEKPBSA-N 405.538 4.981 0 1 HJAF Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587752592 SDBOFYYIYMEAHH-SBKAZYGRSA-N 418.310 4.916 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587807571 XMRXYPDIPTYZQZ-CFMSYZGJSA-N 417.278 4.565 0 1 HJAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br 587857110 ZQPTVMJOVQWEAM-SREIQFSDSA-N 420.145 4.739 0 1 HJAF Cc1cc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n2nc(-c3ccccc3)cc2n1 621443144 FSTMEXOJLPOODE-SFHVURJKSA-N 407.518 4.516 0 1 HJAF CCc1ccc([C@@H]2c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962623475 DSLZASWIGUVXJU-FCHUYYIVSA-N 423.509 4.787 0 1 HJAF c1ccc(N2CCN3[C@H](c4cccnc4-c4ccncc4)c4ccccc4C[C@@H]3C2)cc1 962630797 FVJXRXKRZFNNTD-YWEHKCAJSA-N 418.544 4.980 0 1 HJAF CC(C)COc1ccc2c(c1)CCN(Cc1ccc([C@H](C)NC(=O)C3CC3)cc1)C2 1772636384 IJSZKFYPEWEGHB-IBGZPJMESA-N 406.570 4.867 0 1 HJAF Cc1ccc(-c2ccccc2S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 1857584113 IEPBLWDDJBPJNW-UHFFFAOYSA-N 412.599 4.547 0 1 HJAF Clc1c(-c2nc3ccccc3c(=NCCCN3CCCC3)[nH]2)[nH]c2ccccc12 1857632569 QTVWPCCAWISZMB-UHFFFAOYSA-N 405.933 4.751 0 1 HJAF CC(C)=CCOc1ccc(-c2cnc(-c3ccc(CN4CCCC4=O)cn3)o2)cc1 1857743943 WAJZRTFMGWLJBH-UHFFFAOYSA-N 403.482 4.871 0 1 HJAF CN(C)C(=O)CCc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857752254 SIKVRINKEGSNNM-UHFFFAOYSA-N 405.502 4.650 0 1 HJAF CC1=C(CCC(=CC[C@H](O)[C@@H]2COC(=O)C2)CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 2356460628 DEISXVKTBRGZKW-KUQPJALBSA-N 404.591 4.942 0 1 HJAF Cc1c(C(=O)Nc2ccc(F)cc2)sc2ncnc(N3CCc4ccccc4C3)c12 2931485 NDNOWLPWLLUUNP-UHFFFAOYSA-N 418.497 4.954 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4206832 PVLIZRQWKODICW-FYYLOGMGSA-N 422.887 4.930 0 1 HJAF c1ccc(N2CCN(C[C@H]3C[C@@H]4c5ccccc5Cc5ccccc5N4O3)CC2)cc1 13437021 PZVJEHWECRAJMM-SHQCIBLASA-N 411.549 4.665 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)NC1CCCC1)CC2 40421128 VQXNEJSHLVALQU-JOCHJYFZSA-N 414.933 4.957 0 1 HJAF NCC1CCC(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)CC1 45368818 TUJZJLZDFNKJLH-UHFFFAOYSA-N 424.499 4.737 0 1 HJAF COC(=O)c1ccc2[nH]cc([C@H](C(=O)c3ccccc3)[C@H]3C(=O)Nc4ccccc43)c2c1 73139200 MBDSAJRWZAEKCT-GOTSBHOMSA-N 424.456 4.657 0 1 HJAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1C[C@H]1C(=O)Nc2ccccc21 100676829 CTQOKAYZEWKBNS-UTKZUKDTSA-N 415.880 4.624 0 1 HJAF CCN(C(=O)c1cn(C)nc1OCc1cccc(C(F)(F)F)c1)C1CCCCC1 103275012 QNQCVKDGMCJMHT-UHFFFAOYSA-N 409.452 4.813 0 1 HJAF S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@@H](c2ccc(Cl)cc2)N1 169729948 WTDZWVHMLBZQEY-OBNAIBOFSA-N 402.350 4.667 0 1 HJAF COc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncco3)ccc12 206131789 BHKDWKRSKMURLC-UHFFFAOYSA-N 414.870 4.958 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)C1 299884849 UOONZKNESGEHCL-WTGUMLROSA-N 406.574 4.744 0 1 HJAF Cc1nc(C2CC2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 587012055 MJIWNOKVMNYBME-UHFFFAOYSA-N 414.126 4.792 0 1 HJAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587052101 YVEXKEBJEASSCK-UHFFFAOYSA-N 411.662 4.774 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCNCC4)c(F)c3)nc3cccc1c23 587102737 FEQHPLIAHKSYDP-UHFFFAOYSA-N 409.464 4.662 0 1 HJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCc1ccc(Cl)cc1 587103743 KXPIEGNTQHOVTG-UHFFFAOYSA-N 412.876 4.959 0 1 HJAF Oc1nc(S)nc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113059 RGRFLQUBOORPNB-UHFFFAOYSA-N 404.373 4.825 0 1 HJAF O=C(CSCc1nc2ccc(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114671 WJXJZMUUTXBRMD-UHFFFAOYSA-N 401.360 4.732 0 1 HJAF CC(=O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)ccc2F)cc1 587139279 GBMCZAZKDLOBSI-UHFFFAOYSA-N 401.397 4.570 0 1 HJAF CCc1ccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1 587140099 BSGLPIFSNGBTFA-IBGZPJMESA-N 423.941 4.984 0 1 HJAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587244474 JLJJOPALRKKAGH-UHFFFAOYSA-N 416.359 4.601 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OC(F)(F)F)O2 587381530 GMWMHANCCITMGS-CQSZACIVSA-N 416.193 4.945 0 1 HJAF COc1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 587400707 SEWPNTDWYIGBOE-QHCPKHFHSA-N 419.477 4.880 0 1 HJAF COc1cccc(COc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1 587401736 XLTQEDWFLMJXGP-QHCPKHFHSA-N 419.477 4.880 0 1 HJAF CCCCCOc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587443569 WGCPSXDHLHYSRQ-NLFFAJNJSA-N 424.493 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC2=O 587462167 PKUCRAOZWUCEDR-XJKSGUPXSA-N 417.424 4.524 0 1 HJAF COC(=O)c1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587531083 JNANJSQJUDSRAE-OAHLLOKOSA-N 421.312 4.883 0 1 HJAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC)c1 587598362 UDXWROKWADTXTF-URXFXBBRSA-N 406.434 4.893 0 1 HJAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)o1 587617930 RKSOFDVZLUWBJU-NZQKXSOJSA-N 402.358 4.761 0 1 HJAF O=C(c1cccc2[nH]ccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659148 YFSVVOZCGDAVIA-UHFFFAOYSA-N 401.372 4.512 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 587667614 QNVOUWZJKZSYJO-UHFFFAOYSA-N 403.457 4.744 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1 587668046 ZXEXXUJQAUBPID-UHFFFAOYSA-N 421.447 4.883 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC(F)F)c2)N1 587717079 KMSMVFNIFUSMQA-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF COc1ccc(-c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790021 BIPMFLSUKCKMIB-PRWKNARSSA-N 417.278 4.875 0 1 HJAF CC[C@H](C)Sc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587839500 HJUAYLGOEUVJQT-RLFDGXBXSA-N 410.356 4.892 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Br)o1 587861843 WSRLAKQIPIGOKW-UHFFFAOYSA-N 415.165 4.622 0 1 HJAF COc1ccc2cc([C@@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)ccc2c1 587936205 ZXORETDLGOYMRN-QGZVFWFLSA-N 400.526 4.628 0 1 HJAF O=C(Nc1ccccc1O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1 653837597 DOUNWLAAWUJBEQ-HXUWFJFHSA-N 406.869 4.646 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 963227524 JLCXVUIUHIOLQE-YADARESESA-N 408.567 4.780 0 1 HJAF Oc1nc(NCCCN[C@H]2CCOc3c(Cl)cc(Cl)cc32)nc2ccccc12 1772590581 NKMPEHIMKKANNB-INIZCTEOSA-N 419.312 4.558 0 1 HJAF CCCC[C@@H](Cc1cc[nH]c1)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356605380 DMRFSFVXJMWROZ-REWPJTCUSA-N 415.530 4.602 0 1 HJAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCC[C@@H]1c1cccnc1 11666806 UDMAVDNGAMFVFU-LJQANCHMSA-N 415.852 4.809 0 3 HJAF C[C@@H](CCN1CCC(CN2C(=S)NC[C@H]2Cc2ccccc2)CC1)c1ccccc1 61936195 UMYBLLPNACKECR-SQJMNOBHSA-N 421.654 4.694 0 3 HJAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(O)[C@H](O)C3)CCC[C@@]21C 3809092 CAGYDFRJDSWOLS-NMVMVYLBSA-N 420.634 4.509 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213271 ZYCPOHNMPCLYQV-VHKYSDTDSA-N 411.949 4.559 0 1 HJAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1 14957811 XUWKMEBHOZHGMG-DEOSSOPVSA-N 406.489 4.794 0 1 HJAF Cn1c(=O)n(C)c2cc(-c3[nH]c(-c4cccs4)nc3-c3ccccc3F)ccc21 14958460 BQHBAMNCUUZGRD-UHFFFAOYSA-N 404.470 4.802 0 1 HJAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CCC[C@@H]3C)cc2)c1 27526877 MUYVMBBQJGYFGP-OYHNWAKOSA-N 401.890 4.852 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H]2CCCC[C@@H]21 40949997 CFDRWKHPJHJISG-PCCBWWKXSA-N 402.332 4.534 0 1 HJAF in-vitro Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@@H]2CCCN(C3CCCC3)CC2)cc1 42888170 UYLPCDWAUMDYPN-JOCHJYFZSA-N 417.553 4.870 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1 45186621 VJAGNNIRAWQKLQ-LJQANCHMSA-N 403.501 4.789 0 1 HJAF CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CNCCOc3ccccc3)cc2)c1 45201252 RKYFVRHGQXXVSB-FQEVSTJZSA-N 417.553 4.693 0 1 HJAF COC(=O)[C@@]1(C)CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 66075791 IEZCHQUTYWCVKQ-HXUWFJFHSA-N 402.372 4.705 0 1 HJAF CCOc1cccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)c1 72182272 FAECZQIBYSETCH-JXMROGBWSA-N 403.526 4.571 0 1 HJAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1[C@](C)(O)c1ccccc1 96168099 FHNPWGZMEVQGKD-RUZDIDTESA-N 414.509 4.510 0 1 HJAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@@H]3N4)cc2)c1 100101461 VUKYBLMZCHZUFO-BKFWDETESA-N 401.485 4.773 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@@](CC(C)C)(C(=O)O)OC1 101161370 YXRNZNYFVDQXRS-QRTMHTFLSA-N 401.503 4.853 0 1 HJAF O=c1c2ccccc2ccn1CCCCN1CCN(c2cccc3sccc23)CC1 115090620 JYXRPFUZHOBUIE-UHFFFAOYSA-N 417.578 4.819 0 1 HJAF c1ccc([C@@H]2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)cc1 139370675 OBNRJTXLMYHYCS-OAQYLSRUSA-N 407.521 4.623 0 1 HJAF O=C(NCCCc1ccccc1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166172413 VUDTYVRZROLJTN-UHFFFAOYSA-N 417.484 4.736 0 1 HJAF CC(C)=CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168952142 SDWMTMWHNYEEAG-GRGXKFILSA-N 410.602 4.832 0 1 HJAF O=c1oc2ccccc2c2c1[C@@H](c1cc(Br)ccc1O)SCCN2 199678401 PKAMBSDZGKOHHF-QGZVFWFLSA-N 404.285 4.509 0 1 HJAF O=C(O)C[C@H](CC(=O)Nc1ccc(OCc2ccccc2F)cc1)c1ccccc1 217071639 FEVHHJGFOBPUMV-IBGZPJMESA-N 407.441 4.992 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2c(Br)ccc(Br)c2[nH]1 586960265 AMXKZZYQPSRWQR-SSDOTTSWSA-N 414.126 4.731 0 1 HJAF Cc1cc(-c2nc3cc(OC(C)C)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123169 BUOVOLAXDPNEFQ-UHFFFAOYSA-N 413.421 4.587 0 1 HJAF Fc1cc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1Br 587137614 COFYFQXVZACCLK-UHFFFAOYSA-N 413.531 4.684 0 1 HJAF COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587379388 IFZCUKNVNNCREW-UHFFFAOYSA-N 413.901 4.620 0 1 HJAF COC(=O)c1ccc(F)c(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)c1 587382583 SLNYZIKXZULIHS-NRFANRHFSA-N 421.424 4.582 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccccc1)O2 587415027 YADUQPWZQBSCNQ-ILBGXUMGSA-N 401.462 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N(C)C)CC2=O 587458262 QLLOBHNLCNCPQI-LJQANCHMSA-N 404.304 4.880 0 1 HJAF Cc1cc(C)n(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 587582426 POCCTCRVDCTPTK-RDGATRHJSA-N 412.445 4.898 0 1 HJAF Cc1csc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n12 587617546 KDBCSWSFDUSVEE-KSSFIOAISA-N 412.854 4.766 0 1 HJAF CCc1ccc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)cc1 587652605 WOPHGAVEYVJVOH-UHFFFAOYSA-N 418.880 4.880 0 1 HJAF COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(OC)c1O 587784861 DRMFSIVCLVRCCY-UHFFFAOYSA-N 417.181 4.734 0 1 HJAF Cc1nc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1 587790496 CHXYVDOZHZHIGM-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805632 ICBJEDCVORAZPD-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(=O)O)cc1 587858546 JSMNCWJRKNUUCQ-UHFFFAOYSA-N 405.237 4.642 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)c(C)c1 587867548 JAQFNBBJSMJTLC-AWEZNQCLSA-N 419.403 4.697 0 1 HJAF COc1ccc(CCCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC 587925018 IRMXBRAWLNNOKG-UHFFFAOYSA-N 411.246 4.796 0 1 HJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 587927732 TUFAMADHMHBDCN-SNVBAGLBSA-N 410.699 4.933 0 1 HJAF Cc1nc(OCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2n1 1772611024 CSIRNBPXNVASNG-UHFFFAOYSA-N 424.976 4.963 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4cccc(C)c4[nH]3)cc2F)c(CC)c1CC(=O)O 1772613694 KCLFBEBACIISRI-UHFFFAOYSA-N 420.488 4.674 0 1 HJAF c1ccc(CN2CCN(CCCCCOc3cc(-c4ccccc4)ncn3)CC2)cc1 1772649149 VQBXXYGTDIPCFB-UHFFFAOYSA-N 416.569 4.511 0 1 HJAF COC(=O)c1ccc(-c2snc3cc(-c4ccc(OC)c(OC)c4)cnc23)cc1 1857563157 PHZORPCBLLGBBO-UHFFFAOYSA-N 406.463 4.829 0 1 HJAF COC1=CC2=C([C@H](OC)[C@@H]1c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N(C)[C@H](C)C2 2356516644 DUKVIMHGBJECIJ-DAVAOGKFSA-N 423.553 4.914 0 1 HJAF Cc1ccc(-n2cc(CNCCCn3ccnc3C)c(-c3ccc(F)cc3)n2)cc1 59807803 SZSCDZKFQNVGHY-UHFFFAOYSA-N 403.505 4.672 0 3 HJAF COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]cc(CCC(=O)O)c2C)c1 3815546 YAHVZVQVATYZMK-NDENLUEZSA-N 402.450 4.509 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c2c1[C@@H](O)Oc1ccc(CC=C(C)C)c(O)c1C2=O 13373315 WFHNNILBVLUOKP-VWLOTQADSA-N 424.493 4.874 0 1 HJAF biogenic,in-vitro CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)c1 26749372 GWJDCGLHTDEKGT-WOJBJXKFSA-N 418.505 4.705 0 1 HJAF in-vitro C[C@H]1CCCCN1c1ccc(Cl)cc1[C@@H](C)NC(=O)Cc1ccc(C(=O)O)cc1 27559568 XVUOZRSARADKPL-JKSUJKDBSA-N 414.933 4.837 0 1 HJAF O=C(Oc1ccc2ccc(=O)oc2c1CN1CCc2ccccc2C1)c1ccccc1 29063300 OXWMLKMFSRIIMF-UHFFFAOYSA-N 411.457 4.571 0 1 HJAF COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 82066002 ZTUHWICTQOVKOW-UHFFFAOYSA-N 411.893 4.538 0 1 HJAF Cc1cc(-c2cccnc2OC2CCN(C(=O)c3nccc4ccccc34)CC2)ccn1 96168938 BGRHDXHXAWRZNU-UHFFFAOYSA-N 424.504 4.684 0 1 HJAF CCC/C=C/CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 96914324 LDBPDNDFCXVQGQ-DUMMIQTOSA-N 423.332 4.738 0 1 HJAF O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100093640 CMAOIXJJGIJOER-SOTXCSMQSA-N 413.496 4.968 0 1 HJAF Cc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1ccccc1 100618728 FJAKCXRNHPAFKC-WVQHILGCSA-N 400.482 4.708 0 1 HJAF CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2cccc(Cl)c2)C1=S 138218427 XGLRAOXRALTDAL-UHFFFAOYSA-N 410.919 4.930 0 1 HJAF COc1cncc(OC)c1[C@H]1CCCCC(=O)N1Cc1csc(-c2ccccc2)n1 167399976 DYUYOWXBEMWBEC-GOSISDBHSA-N 423.538 4.866 0 1 HJAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(F)cn2)CC1 261180528 VZGQHJRXPKGKNM-IYARVYRRSA-N 409.484 4.716 0 1 HJAF COc1ccccc1CCNCC(=O)N1CCc2ccccc2[C@@H]1C1CCCCC1 299840582 VMAAYDDUTWTYFJ-SANMLTNESA-N 406.570 4.534 0 1 HJAF O=[S@@](CCCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1 586957670 AKQFDGOWECTSCG-VWLOTQADSA-N 414.328 4.614 0 1 HJAF FC(F)(F)c1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586999399 ZTCMOPGCEJCMAI-UPHRSURJSA-N 412.165 4.638 0 1 HJAF CCc1cc(OCc2nc3ccc(I)cc3[nH]2)ccc1Cl 587052765 LQUMDQRLPPIAMB-UHFFFAOYSA-N 412.658 4.962 0 1 HJAF COc1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587057135 NUXZKUVVSCAYMX-UHFFFAOYSA-N 400.265 4.755 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)ncc4[nH]3)c(Cl)cc12 587078294 NMBMUQDAVGYCDT-LLVKDONJSA-N 413.861 4.819 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2c1 587145550 YUFPWDDKDFLMDJ-UHFFFAOYSA-N 404.397 4.829 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587199055 XYHXHNRBGGCZKS-UHFFFAOYSA-N 412.280 4.791 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587240772 WNVXCXXUFRPMJH-UHFFFAOYSA-N 413.197 4.810 0 1 HJAF C[C@]1(c2cc(F)c(N)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337429 VNDTZCRZCSYHRP-HTAPYJJXSA-N 417.358 4.805 0 1 HJAF COc1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358212 PTSFQYSVEAZNKX-NOZRDPDXSA-N 420.436 4.967 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587454618 ZCTREKLEWONXEX-AVRWGWEMSA-N 417.530 4.827 0 1 HJAF C[C@@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596274 QIKTZNSOPDOPTR-URXFXBBRSA-N 400.434 4.622 0 1 HJAF CCOC(=O)C[C@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599405 XFCSPJQWZQFKOO-URXFXBBRSA-N 412.482 4.872 0 1 HJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609543 NIRVAGYCPTTZLJ-RCZVLFRGSA-N 418.445 4.821 0 1 HJAF Cc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 587657263 SUZBXGZLSBNWTH-UHFFFAOYSA-N 410.246 4.658 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(C(F)(F)F)c2)N1 587721876 QYHPLTNBOOMPJD-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587754402 YJVCUFZSMLLSKT-SBKAZYGRSA-N 418.310 4.916 0 1 HJAF COc1ccc(OC)c2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587805008 CNSAMFYITPMGIV-LAJNKCICSA-N 420.322 4.720 0 1 HJAF CC(=O)OCc1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587847895 MMIURQFAEPPMDG-MLCYQJTMSA-N 412.324 4.511 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1S(C)(=O)=O 587859811 MBKMSRXBNFMOJJ-UHFFFAOYSA-N 411.310 4.648 0 1 HJAF COC(=O)c1ccc(COc2ccc([C@H]3c4ccc(F)cc4C[C@H]4CCCN34)cc2)o1 963097962 OLODOHQNQBKRCB-DVECYGJZSA-N 421.468 4.894 0 1 HJAF CC(C)c1cc(=Nc2cccc(Cl)c2)[nH]nc1C(=O)NC1C2CC3CC(C2)CC1C3 1857752378 FDIGGQFKDIRBPX-UHFFFAOYSA-N 424.976 4.973 0 1 HJAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(c2ccccc2Cl)CC1)CCC3 13473681 PNXIHURFBJSGLC-RUZDIDTESA-N 423.988 4.859 0 1 HJAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 13579471 PPJIHEANSNVZEO-ZSPWYYDASA-N 400.994 4.850 0 1 HJAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12 13765511 BENQQKWGAOTNGU-UHFFFAOYSA-N 414.347 4.955 0 1 HJAF CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)c(SC(F)(F)F)c3)cnc21 13831276 LVCNFQDIXIPYCK-UHFFFAOYSA-N 416.856 4.662 0 1 HJAF O=C(Nc1nc(-c2cc(Cl)ccc2O)cs1)c1ccc(Nc2ccncn2)cc1 28952648 XGUGWZIFELZLHN-UHFFFAOYSA-N 423.885 4.955 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1C)c1cccs1 35259317 NXDXXUVIQDJJCI-INIZCTEOSA-N 404.808 4.817 0 1 HJAF O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 38192612 IAMSOYSVSFMFLR-FQEVSTJZSA-N 417.340 4.818 0 1 HJAF CC(C)[C@@H](CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O 43010959 ATAYILSOPBDUTC-DHUDBDOYSA-N 422.569 4.736 0 1 HJAF Fc1ccc(Cn2c(-c3ccc(-n4cncn4)cc3)nc3c(F)cc(F)cc32)cc1 43020585 RAYXMHFBERBKGG-UHFFFAOYSA-N 405.383 4.750 0 1 HJAF Cc1noc(C)c1-c1ccc2c(Nc3nccc4ccccc34)c(C(N)=O)cnc2c1 45191014 ALKMLKXISSQUQH-UHFFFAOYSA-N 409.449 4.897 0 1 HJAF CCN(CC)CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1 49111228 ISYALFCXKMBMQG-UHFFFAOYSA-N 404.436 4.539 0 1 HJAF COc1cc(-c2ccc3ncnc(NCc4nc(C)cs4)c3c2)cc(OC)c1OC 64539099 RDVPECVAZNLDKO-UHFFFAOYSA-N 422.510 4.700 0 1 HJAF CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CC[C@@H]2CC(=O)O)cc1C#N 68201936 PLHKTXYJCYEKDM-QGZVFWFLSA-N 404.466 4.841 0 1 HJAF O=C(NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1)c1ccccc1 72185358 ZQNRPAKMOUNOON-HSZRJFAPSA-N 405.929 4.719 0 1 HJAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2cccc(C(F)(F)F)c2)CO3)c1C 73162080 XYOQQHFNJRSRQD-INIZCTEOSA-N 423.435 4.881 0 1 HJAF C[C@H](C[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)O 96906622 XMIXAXLPZCFFCG-ISYMCRKRSA-N 406.607 4.724 0 1 HJAF CCCCCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713947 DEHQNTITQNDAJK-WNVKFLJJSA-N 402.623 4.867 0 1 HJAF COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 219485466 PRJBXYRFMXTWEB-UHFFFAOYSA-N 402.542 4.966 0 1 HJAF COc1cc(F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC 586987292 VHAQDEHNRYACOZ-UHFFFAOYSA-N 401.393 4.975 0 1 HJAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587241019 VBPRMDUTAWLGDI-UHFFFAOYSA-N 405.357 4.604 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)cc(F)cc32)[C@H]1c1ccc(F)cc1 587330527 FTOVOJGFLHLKHV-REWPJTCUSA-N 412.363 4.846 0 1 HJAF CC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587345041 IGNHFUSNSQWJMF-ZJSXRUAMSA-N 407.441 4.953 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc([C@@H](C)C(=O)O)cc21 587407041 GYFYUKIYPNJNSC-DLUDVSRJSA-N 415.445 4.780 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(Br)sc31)CC2=O 587493318 DTFIHFACAJKHSD-SFHVURJKSA-N 408.317 4.761 0 1 HJAF Nc1ncc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1C(=O)O 587511685 RJHWLTOFGHAVMH-QFIPXVFZSA-N 414.461 4.614 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2Br)N1 587679437 QSDBCFBCEQSIEP-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cn2)N1 587714201 OQOLAQCIMDHLDA-FVMDXXJSSA-N 403.217 4.800 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587719607 LJWNVMKKDWTBAQ-XLFHBGCDSA-N 414.221 4.707 0 1 HJAF COc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587721718 XDZUGAAGBWBJFT-XLFHBGCDSA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)ccc2F)N1 587725192 CBMFAYNOOAIJRB-KWKYVRJSSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2F)N1 587725601 FEUDDSXZLGPKFX-ZIDLFYJRSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(N)c2)N1 587746109 LIVCUKNXGYSGIL-PEBXRYMYSA-N 411.318 4.997 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1 587755713 QDFOLXIEAWYLRT-CWTRNNRKSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccnc3O)c2)N1 587773943 SNYUZODBAVSRFP-YUNKPMOVSA-N 413.290 4.979 0 1 HJAF COc1ccc2c(c1OC)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587805826 GFRGBGUMLICYBV-LAJNKCICSA-N 420.322 4.720 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C3OCCO3)c2)N1 587829308 BRSKYLGFSWMWEK-RBZFPXEDSA-N 420.322 4.842 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587845344 DVDUFCCRPZTTMY-XTZNXHDOSA-N 412.324 4.601 0 1 HJAF COc1ccccc1NS(=O)(=O)c1ccc2nc(CC3CCCCCC3)[nH]c2c1 587960116 FVWRYBPSNIAZKX-UHFFFAOYSA-N 413.543 4.885 0 1 HJAF COc1ccc(-c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)cc1 653779679 IRGZDLYISPWHSN-UHFFFAOYSA-N 416.477 4.851 0 1 HJAF CC(=O)Nc1cc(-c2cc(Cl)ccc2OCc2ccccc2)cn2c(C)nnc12 1857573011 MFUKGEPTAFWQTK-UHFFFAOYSA-N 406.873 4.896 0 1 HJAF COc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1 1857581504 MLLGHRGDFKXYKT-JOCHJYFZSA-N 424.522 4.954 0 1 HJAF CC(=O)OCC=C(C)CCC=C(CCC=C(C)CCC(=O)C(C)(C)O)COC(C)=O 2356477237 YPSGWPVFHZGFTP-UHFFFAOYSA-N 422.562 4.612 0 1 HJAF CC(C)=CCCC(C)=CCc1cc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)ccc1O 2356524499 GUBSLKKUDZBDAZ-DQEYMECFSA-N 424.493 4.716 0 1 HJAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C 2356566299 YRTLSSRRWILHKA-AOIWGVFYSA-N 414.525 4.592 0 1 HJAF O=C(NCc1ccco1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61908988 ODWLJNUZTFQENT-QHCPKHFHSA-N 412.445 4.754 0 3 HJAF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 3978021 UWFYSQMTEOIJJG-CWGQALNSSA-N 416.945 4.608 0 1 HJAF COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1 6483931 BIKVKSCSIMJKAW-KRWDZBQOSA-N 412.902 4.725 0 1 HJAF CC(C)=CCc1c(O)c(C(=O)C[C@@H](C)CO)c(O)c2c(-c3ccccc3)cc(=O)oc12 13328077 WJEIZADSLGSKHN-OAHLLOKOSA-N 422.477 4.581 0 1 HJAF biogenic COc1cc(OC)c(NC(=O)[C@H]2c3ccccc3COc3ccc(C)cc32)c(OC)c1 13735126 UIVYUUNWZOBBIC-QHCPKHFHSA-N 419.477 4.684 0 1 HJAF CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](O)CO)CCCCO 28472381 KPNVBWQBPOZTHS-WFPJIEKRSA-N 422.606 4.637 0 1 HJAF O=C1[C@@H](c2ccccc2)[C@@H](c2cccnc2)N[C@H](c2cccnc2)[C@H]1c1ccccc1 34145223 QUBUVGOIRQLXMK-XDZVQPMWSA-N 405.501 4.999 0 1 HJAF COc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1C(F)(F)F 40892892 MCTMGXPONZXFHT-UHFFFAOYSA-N 408.401 4.991 0 1 HJAF CCN1CC[C@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1 73196718 DVGKWMUXDYVBPX-PMACEKPBSA-N 408.464 4.561 0 1 HJAF Clc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1N1CCOCC1)N2 73198800 MROVSGUPORYXSJ-UHFFFAOYSA-N 407.905 4.552 0 1 HJAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCC[18F])cc2)nc2ccc(Cl)cn12 100077253 YFXIZOLPHFYYMF-MIGPCILRSA-N 416.915 4.804 0 1 HJAF Cc1c(N(CC2CC2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12 115234187 DJDZWNPRNQFRKI-UHFFFAOYSA-N 401.509 4.513 0 1 HJAF CCCOc1ccc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc1OC 139120325 VATCAVPYUVXEGH-UHFFFAOYSA-N 400.588 4.946 0 1 HJAF investigational CCCCCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169366039 DEHQNTITQNDAJK-YUAPZMEHSA-N 402.623 4.867 0 1 HJAF Fc1cccc(CNc2cccc(-c3cc(N[C@H]4CCCNC4)ncc3Cl)n2)c1 169703695 DRSVGIDJQGJGIF-KRWDZBQOSA-N 411.912 4.712 0 1 HJAF O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cccc4ccsc34)nccc2c1 225052833 DWDOEFSPRHRACU-UHFFFAOYSA-N 418.503 4.707 0 1 HJAF Fc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226048589 QVMZAWNUEPRENC-QGZVFWFLSA-N 401.489 4.843 0 1 HJAF CC(C)(Cl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587009053 UIWNVDJFDGNAQY-UHFFFAOYSA-N 417.840 4.856 0 1 HJAF Cc1onc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c1COc1ccccc1Cl 587063167 GQDVRNNRPBWLPO-UHFFFAOYSA-N 401.781 4.596 0 1 HJAF Cc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073047 AGQSRHOZVZDJLV-UHFFFAOYSA-N 409.774 4.989 0 1 HJAF Cc1cnc2[nH]c(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc2c1 587171193 MGVHYPWZZNUVSW-UHFFFAOYSA-N 416.865 4.527 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1 587191610 NGQIXGNBZXTWOX-MRXNPFEDSA-N 417.307 4.677 0 1 HJAF CC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC(C)CC1 587234599 RCEVIBNVOYAACZ-UHFFFAOYSA-N 418.257 4.886 0 1 HJAF CCCCOc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br 587251192 BKKSNOIYNGGYSU-UHFFFAOYSA-N 416.319 4.902 0 1 HJAF O=C1c2ccc(O)cc2OC(c2ccccn2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587338542 OJNUWWPUPBGDMD-HSZRJFAPSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)O2 587381707 JXYMQIXWMTWNAY-LJQANCHMSA-N 408.376 4.569 0 1 HJAF C[C@@]1(c2ccnc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554762 JFHJOLCRFZGTLO-XLIONFOSSA-N 401.340 4.683 0 1 HJAF COc1ccc2[nH]c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)c2c1 587587175 GCQCCJJUWABDCV-HYBUGGRVSA-N 401.418 4.893 0 1 HJAF CCN(CC)c1ccc(-c2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 587666861 GKZSBQRIFCSXFZ-UHFFFAOYSA-N 417.484 4.803 0 1 HJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncc1Br 587679930 GBGMSWHGYTYPRU-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587735756 UTTKILUECMVVIL-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c(F)cc(F)cc32)N1 587737996 JDZUXDMKBPNXBS-APBUJDDRSA-N 412.249 4.817 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)nn2C)N1 587766448 WBVFLTRNTCBEMJ-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF CCOC(OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797848 XTZVCFXMFBHMDL-LHSJRXKWSA-N 422.338 4.765 0 1 HJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799316 RSXYTRVOXWGGPK-SIFORAMQSA-N 412.343 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC[C@H]2CCCO2)N1 587829867 COZBZGWEHWADMU-MFLXSWDHSA-N 420.322 4.770 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccncc3)s2)N1 587852610 HQRHYQMDGMBLGH-BMLIUANNSA-N 404.308 4.730 0 1 HJAF O[C@@H]1CCC[C@H](Nc2cccc(CNc3cc(Br)cc4[nH]ncc34)c2)C1 1857605058 QQUKXNJUDMMPDM-DLBZAZTESA-N 415.335 4.653 0 1 HJAF COCOc1ccc(C[C@@H]2Cc3cccc(OCCc4ccccc4)c3C2=O)cc1 1857749710 AOHDGXMKTGQVGS-JOCHJYFZSA-N 402.490 4.889 0 1 HJAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@@]21C 2356341363 MLTYJMYPDLQLJF-DRWUKLGOSA-N 418.574 4.708 0 1 HJAF C[C@]12CC[C@H](OP(=O)(N3CC3)N3CC3)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2356729636 XSVDHLSLBYJBSG-WIVQAXMQSA-N 418.518 4.643 0 1 HJAF COc1ccc(-c2noc(C)c2C(=O)NC2CCCC2)cc1OCc1ccccc1 776365 BNFYFCWAYXTMCZ-UHFFFAOYSA-N 406.482 4.910 0 1 HJAF Cc1noc(NS(=O)(=O)c2cccc(O)c2-c2ccc(CC(C)C)cc2)c1C 13782461 UJGJYUSBWCIBJG-UHFFFAOYSA-N 400.500 4.663 0 1 HJAF COc1cc(OC)c([C@H]2[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc1OC 14610327 ZOPMRKPKXCYODT-JAYSIGEFSA-N 400.471 4.603 0 1 HJAF biogenic O=S(=O)(Nc1nc2cc(Br)ccc2o1)c1cc(Cl)ccc1Cl 28572213 DRHKZYYTHVPEDL-UHFFFAOYSA-N 422.087 4.698 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410839 XZGUOAXOYPYCGD-HUJQDINBSA-N 400.607 4.645 0 1 HJAF Cc1ccccc1NC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 36189148 UGSQUXYEAXCLHB-WAFIOYEKSA-N 406.570 4.847 0 1 HJAF COc1ccc([C@@H]2/C=C/CN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 36388518 ZFPGBMOEFYDQRT-FKXJXIBSSA-N 410.533 4.821 0 1 HJAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCSCC5)C[C@]4(C)[C@H]3CC[C@]12C 39033680 IBQNMNALCHWNKF-NDSOISQZSA-N 419.675 4.623 0 1 HJAF CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 42850822 ZAFTWOVROZMXTK-NRFANRHFSA-N 420.384 4.725 0 1 HJAF CCCN(C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1 45288551 OCWYCPGJMYIAHR-UHFFFAOYSA-N 408.517 4.651 0 1 HJAF Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2nccs2)CC1)c1cccnc1 72185308 HFZPTDWVLMAQJM-IBGZPJMESA-N 402.926 4.679 0 1 HJAF Fc1ccccc1CCNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1 82180852 FSQZULJQWKYKNG-INIZCTEOSA-N 423.517 4.528 0 1 HJAF CC(C)(Oc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O 95563104 XDQCXGIQDHMEQA-UHFFFAOYSA-N 404.462 4.781 0 1 HJAF C[C@H]1C[C@H](C)CN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)C1 95573523 BENPELZFEHWECG-OALUTQOASA-N 410.521 4.882 0 1 HJAF COc1cc(/C=C/c2nnc([C@@H](C)c3ccc(F)cc3)[nH]2)ccc1-n1cnc(C)c1 95579960 CRJMPGQRVVAATK-WQRDJFRPSA-N 403.461 4.769 0 1 HJAF COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1 104928880 AKCCBDLWFFCBJQ-HLIPFELVSA-N 423.561 4.757 0 1 HJAF O=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115655447 UIXIYERWLICEGD-QHCPKHFHSA-N 423.299 4.806 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1 167594378 IPMCRSFCBZAIFI-WMLDXEAASA-N 423.431 4.755 0 1 HJAF Oc1nc(CCc2ccccc2)cc(NC2CCCCC2)c1I 299828696 SATCFCIKCIUNDK-UHFFFAOYSA-N 422.310 4.922 0 1 HJAF Brc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040895 JESCGGFCBNFTCR-UHFFFAOYSA-N 408.346 4.778 0 1 HJAF Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1-c1ccc(C(=O)O)c(F)c1 587145024 QTBCVMUOWTTZKF-UHFFFAOYSA-N 404.397 4.814 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](O)(c1ccc2c(c1)OCO2)C3 587208670 DNGJMVOZZCHEGS-HHHXNRCGSA-N 421.452 4.551 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587233218 KTJOSOZLXBTPRN-YJBOKZPZSA-N 407.518 4.555 0 1 HJAF COc1cc(F)c2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334205 LTMSUSWMKUSONC-LADGPHEKSA-N 408.400 4.880 0 1 HJAF CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CO1 587364890 AITSZHBKTDLWKM-FQEVSTJZSA-N 403.434 4.661 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c(F)c1 587384432 DAHFBDCPKMKBNQ-QFIPXVFZSA-N 405.425 4.876 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CC(C)=C(C)C[C@@H]1C(=O)O)[C@@H](C2)C3=O 587453381 YTOZXOQZVMQIGA-HJJDGDTKSA-N 418.489 4.785 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2NC12CC2 587457132 FQRXYCFJAWOQIL-OAQYLSRUSA-N 414.299 4.926 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OCC)c(F)c1)CC2=O 587465650 GPVRLMSLUCWJSB-QHCPKHFHSA-N 416.445 4.608 0 1 HJAF O=C1C[C@@H](c2cc3ccccc3nc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587518392 HKFVPRLGZQMGHQ-DEOSSOPVSA-N 414.505 4.657 0 1 HJAF Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587552015 MIRYJGTWUWITNE-CXAGYDPISA-N 403.221 4.500 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2cccc(Cl)c12 587552174 OCCQUAYRCNRVGH-NQIIRXRSSA-N 407.809 4.935 0 1 HJAF Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21 587552341 QLEKKRLNLMNMNZ-AUSIDOKSSA-N 420.852 4.809 0 1 HJAF O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622024 UQEOGACRJMJQHI-UHFFFAOYSA-N 424.176 4.762 0 1 HJAF CCOc1ccc(-c2nn(C(=O)CCC(C)C)c(=O)c3ccccc23)cc1OCC 587668755 CUIUTMTVZSNENY-UHFFFAOYSA-N 408.498 4.937 0 1 HJAF CCN(/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)CC 587707976 YWQDAAYINIRUKW-AOMXWCFISA-N 409.265 4.736 0 1 HJAF Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738410 ABVZWUFANNQNJO-GSFRUQRZSA-N 403.339 4.750 0 1 HJAF Cc1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc(C)c1OCC(=O)NC(C)(C)C 963107106 WQFGCSGDDLZKEE-YKSBVNFPSA-N 424.560 4.846 0 1 HJAF Oc1ccc2c(c1)[C@](CCc1cc(F)c(F)c(F)c1)(c1cccc(F)c1)NCC2 963327863 ASQSZHXDXBEMAA-QHCPKHFHSA-N 401.403 4.971 0 1 HJAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](CC2CCCC2)N1C(=O)c1ccccc1 963416024 MLBXGSUMZOITMM-YADHBBJMSA-N 402.494 4.941 0 1 HJAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)c1c[n+](C)cn1C)C(C)(C)C)C(C)(C)C 1857579516 SWPSBFJFCWSDLA-AEFFLSMTSA-N 418.539 4.581 0 1 HJAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC4CCN(C)CC4)C=C3C)[nH]c2c1 2356308541 AMLHSQOAJHFNAH-MZKRTTBSSA-N 424.633 4.652 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3CC(C)=CCC[C@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@@H]1C(C)C 2356754570 OKHREEBDBYKLKA-OOJBBXMBSA-N 404.547 4.602 0 1 HJAF Cc1ccc2c(c1)NC(=O)[C@@]1(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N1C2=O 36387247 VGMIFHXFRKOEND-MBPYSEENSA-N 424.500 4.695 0 3 HJAF C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc21 61905962 KNGKIHNYFTWZAF-INIZCTEOSA-N 405.294 4.936 0 3 HJAF CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)(C)C 1491367 JNYINEBNIROMEU-HKUYNNGSSA-N 410.566 4.617 0 1 HJAF CCOP(=O)(OCC)[C@H](NC(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1 1643723 YULVLLMJUKAERH-ZDUSSCGKSA-N 421.274 4.808 0 1 HJAF CC1(C)C[C@@H](NC(=S)NCc2ccccc2)c2cc(Br)ccc2O1 13608356 IQMRTGYHVNXAEP-MRXNPFEDSA-N 405.361 4.716 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4 15217340 CMHGFGMNRHHGSN-UKILVPOCSA-N 406.478 4.799 0 1 HJAF biogenic,in-vivo COc1ccc([C@@H](CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 28523028 LSYZYRQQVQHRFA-HHHXNRCGSA-N 421.629 4.519 0 1 HJAF O=C(Nc1ccc(Cl)c(Cl)c1)c1nc[nH]c1C(=O)NCc1ccc(Cl)cc1 28528692 JNCGPNJKUKNJRM-UHFFFAOYSA-N 423.687 4.552 0 1 HJAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 82179817 VTOFXXBYDARTFK-UHFFFAOYSA-N 421.932 4.838 0 1 HJAF Cn1cc(-c2cn3c(Cc4ccc5ncccc5c4)cnc3cc2C(F)(F)F)cn1 205312903 XQVYJULMWSTTKM-UHFFFAOYSA-N 407.399 4.893 0 1 HJAF O=S(=O)(Oc1ccccc1)[C@H]1C[C@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1 253678176 SMXPPKCVRDKVBA-ZFGGDYGUSA-N 404.487 4.546 0 1 HJAF S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 504771441 LJMIHNWGPQSCOB-PZBISTMVSA-N 402.007 4.932 0 1 HJAF biogenic CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587232927 FRHQYSKKLXHCTQ-WPRPVWTQSA-N 416.266 4.764 0 1 HJAF COc1cccc2c1CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354945 WDNBEUNMCFLSIL-UKILVPOCSA-N 404.437 4.827 0 1 HJAF COc1ccc(-c2nc3scc(C)n3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587412401 BRYIIARUPGZJFP-LJQANCHMSA-N 419.506 4.977 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)ccc41)[C@@H](C2)C3=O 587421156 KLYGTQJQIPURDK-CYFREDJKSA-N 402.833 4.584 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)ccc(OC)c31)CC2=O 587458521 KJYRIKXAANFXCP-NRFANRHFSA-N 417.299 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3c(c1)OCO3)CC2=O 587493172 SPORCDOVQCURAA-VWLOTQADSA-N 402.446 4.982 0 1 HJAF Cc1cccc([C@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587588017 IZDAWELNYMMRGC-RCZVLFRGSA-N 412.445 4.638 0 1 HJAF Cn1nc(-c2cccs2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611879 KKGYVYMJRJSGFR-KNQAVFIVSA-N 404.447 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)F)cc2)N1 587720793 UTGMDWVJTLFMJF-MGNBDDOMSA-N 400.238 4.987 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc(F)c(F)c2)N1 587724300 GSOQMMOCRHRPKM-MGNBDDOMSA-N 400.238 4.695 0 1 HJAF COc1ccc2c(c1)cc([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)n2C 587760620 ZKOQXUJIKUMKEA-PRWKNARSSA-N 403.295 4.712 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587763233 XYGKBYIDRUKKRQ-WJONJSRFSA-N 417.366 4.860 0 1 HJAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)C1 587772282 ZPNCHQXIXHHUII-BFYDXBDKSA-N 409.387 4.992 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587792349 IITBPNSWSFEQDY-FKIZINRSSA-N 400.295 4.910 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC=C2OCc2ccccc2)N1 587839157 QSDYGRQFGIYXNF-QKKBWIMNSA-N 416.290 4.920 0 1 HJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccnc(Br)c1F 962719252 YOQJFQYTAOGCEA-GTNSWQLSSA-N 411.315 4.575 0 1 HJAF Cc1cccc(C2=C[C@]3(NCCc4ccc(C(=O)N(C)C)cc43)c3cc(C)ccc3O2)c1 962922737 GZJGSXHYDVXXOB-MUUNZHRXSA-N 424.544 4.828 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Br)cccc2C(=O)OC)N1 962952718 VPHPMOUIJZLANS-MPBGBICISA-N 413.315 4.731 0 1 HJAF COc1ccc(Nc2cc3[nH]c(-c4ccc(C(=O)N(C)C)cc4)cc3cn2)c(OC)c1 206055350 HPSYTKNOJVUXRQ-UHFFFAOYSA-N 416.481 4.693 0 3 HJAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773568 OEINVCIPLCWOPZ-LJQANCHMSA-N 422.481 4.543 0 1 HJAF CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3CCc2ccccc2)c1 1368999 FAFGIPQTHULIJD-ZEQRLZLVSA-N 405.542 4.639 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O 13485405 LAQLCZKPJGMFRM-ZEQRLZLVSA-N 408.494 4.793 0 1 HJAF endogenous,in-man CCN1CCc2cc(Br)cc([C@@H](c3ccc(F)cc3)n3ccnc3)c21 13489544 PLODWZXPMXDIRZ-LJQANCHMSA-N 400.295 4.805 0 1 HJAF C[C@H](Nc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F 40393026 ZCFKAQYTWXJFBD-ZETCQYMHSA-N 421.732 4.763 0 1 HJAF Cc1nc(Nc2c(Cl)cc(OC(F)F)cc2Cl)c(=O)n([C@@H](C)C2CC2)n1 49034688 IINJXRVEBGFSMP-ZETCQYMHSA-N 405.232 4.570 0 1 HJAF O=C(N[C@H](c1cncnc1)c1ccc(Cl)c(Cl)c1)c1ccc2cnccc2c1 72179000 GYOORXSUQDRTDK-FQEVSTJZSA-N 409.276 4.851 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C 82132677 OFBRYUVUHWEUPC-IVOMFYJKSA-N 418.585 4.934 0 1 HJAF CCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1OC 95561331 DKKFMMDRKYXYPN-PDGQHHTCSA-N 400.906 4.562 0 1 HJAF Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ccccc2[C@@H]1C 96283021 DXYANPCOKLRSRL-ZDUSSCGKSA-N 407.495 4.683 0 1 HJAF Nc1nc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)cc(-c2ccccc2O)n1 103170316 YWPIEKYZQZFWBS-UHFFFAOYSA-N 422.444 4.948 0 1 HJAF Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1 103253707 NBOCXHDDIWCACL-UHFFFAOYSA-N 418.560 4.971 0 1 HJAF COc1ccc(NC(=O)c2cn(C)nc2Oc2cccc(C(F)(F)F)c2)cc1OC 103290707 NLYCQBRKJQMEEZ-UHFFFAOYSA-N 421.375 4.501 0 1 HJAF N=C(N)c1ccc(COc2cccc3c(OCc4ccc(C(=N)N)cc4)cccc23)cc1 169330131 FXBUGZBBALBFBD-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF COc1ccc2c(c1[C@@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1)OCO2 223039930 PMZLCLZIRUBMCX-HNNXBMFYSA-N 423.387 4.576 0 1 HJAF C/C(=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)CC[C@@H](O)C(C)(C)O 238767076 SOTUFGKJQVSOCT-IMACXXDKSA-N 400.515 4.757 0 1 HJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@@H]2C=CC=C[C@@H]12 245296073 KICYSZOYNLAVJI-BSIFCXSSSA-N 414.461 4.570 0 1 HJAF CCN(CCC(=O)NCCNc1c2c(nc3ccccc13)CCCC2)C1CCCCC1 299829808 MMAVCEZWOWSHTC-UHFFFAOYSA-N 422.617 4.686 0 1 HJAF COc1cc(O)cc(/C=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)c1 473086662 BZAJMGDRFHZQKL-BQYQJAHWSA-N 404.418 4.716 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(Br)cc(C)c3[nH]2)cc1 586971624 ZZUBBEOTIBPNJD-UHFFFAOYSA-N 418.360 4.857 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cncc(Br)c3)nc3ccc(O)c1c23 586985327 FOORGFOQQFNTRO-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF Cc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C 586988246 HLDQNOSTTLKLKF-UHFFFAOYSA-N 408.457 4.950 0 1 HJAF Fc1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006217 FSOYYXBYRFSMAQ-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF c1cnc2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2c1 587019323 XIGDKICPRPITLS-UHFFFAOYSA-N 400.463 4.597 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccnc(Cl)c3[nH]1)N2 587030635 GXZZGVDMZNBBDM-NJQKBMNKSA-N 405.936 4.738 0 1 HJAF Cc1onc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1COc1ccccc1Cl 587063221 ISHIGBOFTFIFIQ-UHFFFAOYSA-N 408.845 4.643 0 1 HJAF COc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(I)c1 587179172 RFQYYWOHRLNUCI-UHFFFAOYSA-N 420.037 4.545 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cccc2[nH]1 587181604 WQTCJCFCQDQYFH-MRVPVSSYSA-N 400.651 4.655 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2cnoc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 587351206 ZFGHUYOXOWWZCH-UPVQGACJSA-N 417.392 4.528 0 1 HJAF COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587375208 LNZLNWMAMMYMRY-UGKGYDQZSA-N 412.438 4.654 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cc(C)c(C)cc3C)nc3ncccn13)O2 587393714 KLXGDNPQICPYSQ-OAQYLSRUSA-N 412.493 4.919 0 1 HJAF COc1ccc(C=O)cc1COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398246 DCWHIRKLQWLNHV-DEOSSOPVSA-N 417.461 4.684 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587420116 GKSHNPQXXAMYOR-SGTLLEGYSA-N 416.861 4.579 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@H](C)C1)[C@@H](C2)C3=O 587435670 IAOZKEJVUDXHTE-NNAWREIYSA-N 421.537 4.541 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@H](C)C[C@@H](C)C1)[C@@H](C2)C3=O 587435672 IAOZKEJVUDXHTE-OOGOOOPPSA-N 421.537 4.541 0 1 HJAF CCOC(=O)C[C@@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599406 XFCSPJQWZQFKOO-XUZZJYLKSA-N 412.482 4.872 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OC(F)(F)O3)N1 587723313 WVBJAHYLSLFBGY-AYVTZFPOSA-N 400.194 4.533 0 1 HJAF CCOC(=O)C[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793433 FBTAVOLYCIAPDH-SZNDQCEHSA-N 420.322 4.514 0 1 HJAF COc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805283 FHHUUMKMOZVEFH-YUNKPMOVSA-N 408.311 4.712 0 1 HJAF CC(=O)Oc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587808594 HBRJMLXUWBBRDH-ZSEKCTLFSA-N 420.322 4.896 0 1 HJAF CN(c1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1)S(C)(=O)=O 587923978 VXTGMBHGGLCVCE-UHFFFAOYSA-N 414.552 4.662 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccccn1)c1cccnc1Cl 962368371 ANAVEAVSPNPGGM-HSZRJFAPSA-N 420.969 4.880 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@@]21c2ccsc2CCN1Cc1cccn1C 962377405 WPUAYXQWDBTFQY-DEOSSOPVSA-N 405.567 4.683 0 1 HJAF CC(C)(C)OC(=O)N1CCN(C(=S)Nc2ccc(F)cc2)[C@H](c2ccccc2)C1 1857616384 JRSXBDGUKLVGEQ-IBGZPJMESA-N 415.534 4.817 0 1 HJAF Cc1cc([C@@H]2[C@@H](C(C)C)CC[C@@]2(C)CC(=O)O)c(C(=O)O)c(O)c1Br 2356511150 ZOSSDTMJKVYMOL-KOXAJKMWSA-N 413.308 4.792 0 1 HJAF C[C@H]1C[C@@H](C)CN2C[C@H]3[C@@H](CC[C@@H]4[C@@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@]43C)C[C@@H]12 2356524296 YIYKJKFLANHXRV-VKUUUPARSA-N 415.662 4.563 0 1 HJAF CCC=CCC1=CCO[C@@H]2[C@H](CCOC(=O)c3ccccc3)C[C@H](C(=O)OC)C[C@@H]12 2356785434 AEWFWIVASICADC-WZYRSQIMSA-N 412.526 4.730 0 1 HJAF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4081073 FNEKBQHKTRYXRI-GMAHTHKFSA-N 420.896 4.757 0 1 HJAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 4546257 QYANJGUVPLLCBQ-ZTZDBDGFSA-N 422.569 4.769 0 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O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc3ccccc3n2)CC1 49068604 RYJBTTJPHRSGMH-UHFFFAOYSA-N 415.415 4.570 0 1 HJAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)cc1 100106630 CSLNRFXYYIDFEE-QEIWAGNOSA-N 413.521 4.642 0 1 HJAF COc1cccc2c1O[C@@H](CN1[C@H]3C=C(n4ccc5cc(F)ccc54)C[C@H]1CC3)CO2 100936679 JNQGARYQOOKJCC-SBHAEUEKSA-N 420.484 4.707 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1cccs1 103192239 VBHFVDVBMSXXIQ-OAHLLOKOSA-N 408.771 4.647 0 1 HJAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)NCc1ccccc1 169720782 LQXPLQZAVHAHQZ-PMACEKPBSA-N 413.308 4.818 0 1 HJAF COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CC(C)C5)cc-4[nH]c23)c1 169729116 ORLPLKBNIXEVHQ-UHFFFAOYSA-N 403.482 4.672 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)cnc2[nH]1 587044660 LOFANSQDOIHEAT-UHFFFAOYSA-N 403.063 4.711 0 1 HJAF O[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587057659 COFZSCXBJMDURY-ZDUSSCGKSA-N 421.600 4.959 0 1 HJAF CCOC(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1 587076320 PLFCUOGZTPNRLS-UHFFFAOYSA-N 411.845 4.935 0 1 HJAF Cc1ccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1 587140983 LTARYOOKWYRWRU-SFHVURJKSA-N 409.914 4.730 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(C)cc1 587206804 OESZDDDEYJCLMC-HNNXBMFYSA-N 406.711 4.707 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 587233516 PZWXNRCKIUYOMB-ZYHUDNBSSA-N 410.312 4.582 0 1 HJAF COc1ccc(C(=O)Oc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587404390 XLDFICWLIDUPHM-JOCHJYFZSA-N 403.434 4.512 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3cccc(Cl)c3Cl)nn1)CC2=O 587462131 MWJRTQUGEUZPGA-SFHVURJKSA-N 418.280 4.939 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1O 587549779 RQGQPARXOOYBOG-PXNSSMCTSA-N 402.324 4.820 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1O 587558992 YYDKWYPAERZJCO-XLIONFOSSA-N 418.323 4.699 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587701280 CEGLZFJOEUVOPM-XXFAHNHDSA-N 410.249 4.885 0 1 HJAF COC(OC)c1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587718567 NJOOBUYTARRJHU-MLCYQJTMSA-N 412.274 4.642 0 1 HJAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587721220 WHVSJDBZKORCNK-JDNHERCYSA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN3CCCC3)c2)N1 587768072 SRFWFYNCJCVDFW-QKKBWIMNSA-N 403.339 4.808 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1 587839683 UKHJFJLDKNBAPW-FKANQGBASA-N 422.294 4.534 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccc(Cl)cc1)c1ncccn1 962375145 RQWZDJRVWLWHGD-QHCPKHFHSA-N 420.969 4.880 0 1 HJAF Brc1cnc2c([C@H]3c4ccsc4CCN3Cc3ccco3)cccn12 962702498 AGVSRBFQQOFZKY-GOSISDBHSA-N 414.328 4.899 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(C(=O)O)=CN(C(C)C)c1ccccc12 962955437 MGXVKCGMZOYBGI-PUAOIOHZSA-N 401.510 4.533 0 1 HJAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3cccc(Cl)c3)sc2c1=O 1857556569 NCWUUMSZOHYOMN-UHFFFAOYSA-N 403.294 4.623 0 1 HJAF CC(=O)Oc1c(C(C)C)cc(C=O)c2c1O[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]21C 2356657911 XWAMMEGQPHELCK-AOHZBQACSA-N 416.514 4.913 0 1 HJAF Cc1nc([C@H](C)NC2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)cs1 11963822 JTWNWDFXLOCQNH-INIZCTEOSA-N 412.603 4.900 0 1 HJAF CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 13757957 WWQJVZUSVPQNDX-HSZRJFAPSA-N 413.521 4.982 0 1 HJAF Cn1c(=O)c(-c2c(Cl)cc(O)cc2Cl)cc2cnc(Nc3ccccc3)nc21 28341660 GXOUJVQEFADKQO-UHFFFAOYSA-N 413.264 4.752 0 1 HJAF CCN(CC)c1ccc(NC(=O)[C@@]2(NC(=O)OC(C)C)CCc3ccccc3C2)cc1 28349877 YEVUBNXQNDXEJT-RUZDIDTESA-N 423.557 4.534 0 1 HJAF CCOC(=O)[C@H](CO)NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 40972966 MTNUSKFERXRZPJ-IVLFAMSPSA-N 415.574 4.558 0 1 HJAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NC1CCCCC1 82192298 LENAEFRMCWWZPX-KRWDZBQOSA-N 407.580 4.932 0 1 HJAF CCCCCCc1c(O)c(Cl)cc2c1O[C@@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C 84730845 KZMWNWHPQYHFGI-GOSISDBHSA-N 418.704 4.601 0 1 HJAF COc1ccccc1N(C)C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl 95575934 DWBDWTLBGPVCTD-UHFFFAOYSA-N 404.253 4.861 0 1 HJAF CC(C)(C)[C@@H]1C=C(C(=O)N2CCCCCCC2)O[C@H](OCc2ccc(CO)cc2)C1 95783803 IJBKOKSSRAKBQN-GGAORHGYSA-N 415.574 4.781 0 1 HJAF O=c1ncn(Cc2ccc(F)cc2)c2ccc(Oc3ncccc3C(F)(F)F)cc12 96923012 XPCMNABMEVAMCW-UHFFFAOYSA-N 415.346 4.790 0 1 HJAF O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 116822809 ZFRXDRJCCIBUSF-IAGOWNOFSA-N 415.518 4.765 0 1 HJAF O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(Cc2ccc(F)cc2)c(Cl)cn1 149229486 NPTFKCLVDGOWEX-SFHVURJKSA-N 423.797 4.893 0 1 HJAF O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(-n2c(O)ccc2O)cc1 169693115 LBUXTMSAHZUNCP-UHFFFAOYSA-N 410.433 4.684 0 1 HJAF Nc1c(C(=O)Nc2cccc(Br)c2)sc2nc3c(cc12)CCCC3 197325490 AGHXJNVBRPYMOV-UHFFFAOYSA-N 402.317 4.772 0 1 HJAF C/C=C(\C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)CC[C@@H]2Cc3occ(C)c3C[C@@]21C 238781009 KBUUBOOGAZPPCR-UZWSGZPKSA-N 402.531 4.939 0 1 HJAF COc1ccc(-c2c(CO)n(Cc3ccccc3Cl)c3cc4c(cc23)OCO4)cn1 299824477 VROWRQHFGBVHFH-UHFFFAOYSA-N 422.868 4.635 0 1 HJAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@@H]2c1ccc(-c2ccccc2)cc1 299872465 CLPAGHIGGHLMED-AUKDSKBCSA-N 402.538 4.625 0 1 HJAF Cc1cc(-c2ccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 473120549 OGSRYQZSSXXEKO-UHFFFAOYSA-N 413.506 4.640 0 1 HJAF Clc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c(Cl)n1 586997864 DKPSCQDPGYSPNG-OWOJBTEDSA-N 413.058 4.926 0 1 HJAF O=C(Nc1nc(Cc2nc3cccc(Br)c3[nH]2)cs1)c1cccs1 587019292 JTFFIYBJFWJJFQ-UHFFFAOYSA-N 419.329 4.687 0 1 HJAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587051946 WJJNZKCIBMPQPV-CABCVRRESA-N 402.325 4.973 0 1 HJAF Fc1c(Br)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1F 587090904 BIZOSFCTERGVLJ-UHFFFAOYSA-N 408.124 4.607 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587107947 FKMBOGYGHSGYNB-UHFFFAOYSA-N 414.181 4.583 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587166377 BLZDYDXKXKXFNA-CQSZACIVSA-N 419.254 4.539 0 1 HJAF CCCCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398806 FFSLGBQXUAJCPP-XMMPIXPASA-N 411.498 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)NC(C)C)c3ccccc13)CC2=O 587475649 NDSBWPSQYZGHGY-QHCPKHFHSA-N 420.509 4.531 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587475955 RJXPHKMSHNZYPS-INIZCTEOSA-N 403.519 4.716 0 1 HJAF CCOC(=O)c1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549412 ZXAPWDPFASILQO-DENIHFKCSA-N 424.836 4.925 0 1 HJAF Cc1cc(Cl)cc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551589 HHLVVPFSWMITBQ-AUSIDOKSSA-N 408.837 4.994 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)c(F)c1)CC2 587568424 LPQNJSDVUUGDFI-OAQYLSRUSA-N 423.415 4.671 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Br 587568457 LXOBYCRJQZHVEX-XLIONFOSSA-N 415.214 4.997 0 1 HJAF COc1cccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)on2)c1 587586899 LNEBTZATODQLKG-XUZZJYLKSA-N 415.401 4.759 0 1 HJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609545 NIRVAGYCPTTZLJ-WIOPSUGQSA-N 418.445 4.821 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(F)c(F)cc(F)c1F 587656383 YYJIMDYCRRUJFK-UHFFFAOYSA-N 406.285 4.887 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)o2)N1 587679093 FDWHFQVPGSOKGC-ANRSDYALSA-N 403.089 4.741 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723354 XDZZQDLDFUJASI-RTACJLRHSA-N 410.155 4.907 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(N)cccc12 587742524 ALNDWNIASDYVOU-IPQOISQHSA-N 409.302 4.977 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(CC3CCCCC3)n2)N1 587767404 YWLSZRIHEHNIIA-ZUOKHONESA-N 406.343 4.989 0 1 HJAF CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587799286 ROXPBRPWVHQBTA-MPBGBICISA-N 406.295 4.563 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C)cc(C)c1 587862395 MKVOSXLJEGHODY-UHFFFAOYSA-N 404.388 4.914 0 1 HJAF CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)NCCc2c1sc(C)c2C 963033026 WPBVHPCGYZKCON-HRAATJIYSA-N 409.954 4.940 0 1 HJAF CCC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963614105 WFLLZQWRVDEGBZ-AFMDSPMNSA-N 408.586 4.555 0 1 HJAF O=C(O)c1cccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1857542235 MVKIUMUAYKPWAE-JLHYYAGUSA-N 402.837 4.908 0 1 HJAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4c(Cl)cccc4Cl)ccc1c23 1857563951 KDKMKXPKVAOMCB-UHFFFAOYSA-N 407.278 4.537 0 1 HJAF CCOC(=O)C1=C2CC[C@H](C)N2C(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl 1857637845 YAJJXYMKLMMJQC-APPDUMDISA-N 419.909 4.739 0 1 HJAF CC[C@@H]1O[C@H](c2c(C)cc(C)cc2C)O[C@]1(C)[C@@H](O)[C@H](C)COC(=O)C(C)(C)C 2356471897 DYBDTNQGVPNWTP-QNQBOUCHSA-N 406.563 4.781 0 1 HJAF CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N(C)C 4204548 IERPPHIWEWLMCE-ILBGXUMGSA-N 414.505 4.932 0 1 HJAF CCCN(CC(F)(F)F)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C 28134629 LQEITOXZZODRDN-UHFFFAOYSA-N 422.495 4.937 0 1 HJAF CCc1nc2ccc(OC3CCN(C(C)=N)CC3)cc2n1C/C=C/c1ccc(N)cc1 28759142 RAFZNDXUINWIKS-ZCVNEZMMSA-N 417.557 4.735 0 1 HJAF CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CS2)cc1 45338077 OQWGWLPYPVDWKN-UPVQGACJSA-N 417.534 4.654 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc2ncccc21)C(F)(F)F 64498942 QFWHAFOCMOQSHC-FQEVSTJZSA-N 410.411 4.845 0 1 HJAF COc1cccc(-c2c(OC)cc(N[C@@H](C)CCCN)c3nc(OC)cc(C)c23)c1 66100874 KUJUYMZXELLTAJ-INIZCTEOSA-N 409.530 4.775 0 1 HJAF COP(=O)(OC)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 73220162 GHRBFNCIOJZUDG-KRWDZBQOSA-N 418.213 4.673 0 1 HJAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)c1 100114206 VFCSGJYEIMHZTG-QEIWAGNOSA-N 406.476 4.580 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@H]2CN(c3nc4ccccc4o3)[C@@H]2C1 116827760 YFDJIMJVVGFZJM-WMZHIEFXSA-N 409.489 4.846 0 1 HJAF Cc1c(Cc2ccccc2)nnc(N2CCC(N3CCc4ccccc4C3)CC2)c1C 117269257 WPROSJKCWCTPJV-UHFFFAOYSA-N 412.581 4.711 0 1 HJAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(F)F)no2)cc1C#N 198834473 IVXNURBUWMRJKE-IBGZPJMESA-N 424.451 4.904 0 1 HJAF CCNC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@H](C)c2ccc(F)cc2)C1 207762469 OQTUMNSPABDCGO-OAHLLOKOSA-N 410.468 4.525 0 1 HJAF NC1=NC(c2ccccc2Cl)(c2ccccc2Cl)C(=O)N1C1CCCCC1 218599280 ASWBODHRSNHLNV-UHFFFAOYSA-N 402.325 4.727 0 1 HJAF Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2-c2ccccc2)cc(-n2nc(C)nc2C)n1 223519407 HBKKDUISIABGIW-PMACEKPBSA-N 421.508 4.593 0 1 HJAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C3CC4(COC4)C3)[nH]c12 586918398 YARQZLUKYSOYFL-UHFFFAOYSA-N 419.378 4.867 0 1 HJAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H](C)n2ncnc2N1C 587098277 WSGWYLVNBCKBTD-HNNXBMFYSA-N 407.477 4.788 0 1 HJAF Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br 587167731 BVDCAKACTJEEEQ-UHFFFAOYSA-N 412.266 4.898 0 1 HJAF O=C(c1cccc(Cl)c1Cl)c1c(CO)oc2cc(Br)cnc12 587275951 HSVPPZOIDIZKHX-UHFFFAOYSA-N 401.043 4.620 0 1 HJAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356247 ZVMXIZIQOLHZLJ-ZZQRAECTSA-N 424.468 4.930 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(F)cc4)c1)[C@@H](C2)C3=O 587430042 YPXVGNUYGSPQRD-NBGIEHNGSA-N 420.436 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)CC2=O 587493111 QTFAWHJTRCZPPP-HSZRJFAPSA-N 424.522 4.713 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)s1)CC2=O 587493405 GVYMWLWQRNJQMU-HXUWFJFHSA-N 408.903 4.874 0 1 HJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1O 587502044 ZUJJKRIHGZPVFC-KRWDZBQOSA-N 403.272 4.749 0 1 HJAF Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510627 MIAUWRPJWYNCSI-HHHXNRCGSA-N 409.485 4.909 0 1 HJAF Cc1oc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587538720 FYHKNPRJYFJJSS-QFBILLFUSA-N 401.212 4.759 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1c(F)cc(F)cc12 587566886 BALHAFHMYAFTME-XXBNENTESA-N 410.372 4.700 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574187 VRYFZIYYOATXQT-RDGATRHJSA-N 419.477 4.555 0 1 HJAF COc1ccc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587591613 WLFPTRYUAUGNIV-XUZZJYLKSA-N 401.418 4.759 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(F)c(F)c(F)c(F)c1F 587657946 DXSIRZUSYDSCNY-UHFFFAOYSA-N 406.285 4.887 0 1 HJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncc1Br 587679926 GBGMSWHGYTYPRU-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc3c2OCOC3)N1 587698439 OGTKGDGNMNBFHB-HUTHGQBESA-N 412.686 4.732 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587734022 MLYPKISJUYJHNL-BIBXISHDSA-N 418.285 4.845 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742473 LDXNVMKNLZUGQU-MPBGBICISA-N 405.311 4.653 0 1 HJAF Cc1cccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587752458 FDDDUCRELFWLLE-ZUOKHONESA-N 400.295 4.706 0 1 HJAF COC(=O)CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587803417 ALJOAKWXFRHCQD-SZNDQCEHSA-N 420.322 4.709 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)s2)N1 587854989 SRZFYYVJZSCYJL-JKYUHCHBSA-N 420.145 4.605 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1ccc(O)cc1 587864570 LVJCEMDVWBRMKF-UHFFFAOYSA-N 404.388 4.946 0 1 HJAF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccccc3)c2O)cn1 587935645 OUHMVXDVOWOABM-UHFFFAOYSA-N 410.271 4.719 0 1 HJAF CCOC(=O)c1ccc([C@]2(CCc3ccccc3)NCCc3c(C)ccnc32)cc1 963070928 HZQPHZFRNWVRKJ-SANMLTNESA-N 400.522 4.589 0 1 HJAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc3cc(Cl)c(Cl)cc3[nH]2)N1 963216710 AFDVTEYOOKLJAE-WOJBJXKFSA-N 412.276 4.711 0 1 HJAF CCN(CC)CCNc1c2c(nc3ccccc13)-c1cc(OC)c(OC)cc1CC2 1772585948 IKOFUFDPXUJFMJ-UHFFFAOYSA-N 405.542 4.771 0 1 HJAF Cc1cccc2sc(N(CCCn3ccnc3)C(=O)C=Cc3cccs3)nc12 1857621549 AUUAGYVXUAJZTQ-UHFFFAOYSA-N 408.552 4.999 0 1 HJAF C=CC(=O)N1CC[C@@H](Oc2cccc3[nH]c(-c4n[nH]c5cc(C(F)F)ccc45)cc23)C1 1911581177 LBCGVXHTXJMXAA-CQSZACIVSA-N 422.435 4.815 0 1 HJAF CC=C(C)[C@H](O)C(C)=CC(C)=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@H]1[C@@H](C)C(=O)O 2356837641 LLPMFUMHVUYYMI-UVSNUMOOSA-N 402.531 4.607 0 1 HJAF Cc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1 13815792 CVKQSYMFVKELBA-UHFFFAOYSA-N 424.931 4.541 0 1 HJAF CC(=O)[C@]1(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)O[C@@H]2O)[C@@H](O)CCC1(C)C 14412017 BDWHNXBIFYPWRV-QCEUQERDSA-N 418.574 4.778 0 1 HJAF O=C1N(c2ccc(OCc3ccccn3)nc2)CCN1c1ccc(Cl)c(Cl)c1 28528695 DMJRERANLQMTBJ-UHFFFAOYSA-N 415.280 4.809 0 1 HJAF CC(C)[C@H](C(=O)NC(=S)Nc1nc(Cl)cc(Cl)n1)c1ccc(Cl)cc1 35016099 MSTXMICYEIWGFQ-ZDUSSCGKSA-N 417.749 4.690 0 1 HJAF Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cccc(O)c4)CC3)cc2)c1 45356501 ZVAVWQPGXPOMJI-UHFFFAOYSA-N 415.537 4.665 0 1 HJAF COc1cccc(CNC(=O)C2CCN([C@@H](C)c3ccc4ccccc4c3)CC2)c1 53296885 BIQUQYCSENVAEU-IBGZPJMESA-N 402.538 4.938 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 73220583 TUABJEAUJJVZMH-KRWDZBQOSA-N 423.528 4.819 0 1 HJAF CNc1nc2cnc(Nc3cc(OC)cc(C(F)(F)F)c3)cc2n1Cc1ccco1 82081895 HIRTULQRQMHDCS-UHFFFAOYSA-N 417.391 4.885 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cccc4cccnc34)C[C@@H]1O2 84633929 HDVLRDBNFYWWPF-ICPLQIHGSA-N 416.521 4.867 0 1 HJAF O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 100832245 FFWITCRFOHKGPC-UJKQEGAGSA-N 413.562 4.935 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@@H]2CC[C@@H](CO)C2)cc1)c1nc2ccccc2[nH]1 144105944 PBAYSSFAKIJKMQ-SJLPKXTDSA-N 413.477 4.857 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@H](O)c3ccccc3C)CC2)cc1 169326434 YJEZGYWKSYGGGS-KAYWLYCHSA-N 416.565 4.596 0 1 HJAF Cc1ccccc1S(=O)(=O)N1[C@@H](c2ccc(Cl)cc2)C(CO)=C[C@H]1C(C)(C)C 199883394 YGVHGZYGFUXPNA-SFTDATJTSA-N 419.974 4.727 0 1 HJAF COc1ccc2c(C)c(CCc3nc4ccc(OC(C)C)cc4[nH]3)c(=O)oc2c1C 586917503 CWTRDSBRROSGJK-UHFFFAOYSA-N 406.482 4.867 0 1 HJAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586983686 HISYHGGRGNFEGB-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)cc2[nH]1 587042078 HLIUUPLJEQGKCX-CQSZACIVSA-N 408.708 4.634 0 1 HJAF Fc1cnc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587074771 YDXZPHPTTRSGCV-CYBMUJFWSA-N 409.690 4.850 0 1 HJAF FC(F)(F)c1ccc(-c2nc3cncc(Cl)c3[nH]2)c(I)c1 587178572 FSFYSHSLPYSUSY-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF Oc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587179554 XTCCWGBXKWOHPR-UHFFFAOYSA-N 404.129 4.559 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(C(F)(F)F)c1 587544014 DHAXDAYIZAHAKN-YLJYHZDGSA-N 402.324 4.820 0 1 HJAF C[C@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549499 QIXXQXBWZPHQFU-UZLBHIALSA-N 401.340 4.683 0 1 HJAF CCOC(=O)c1c(CN2CCCC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628593 WRDMZJSYLUSJKI-UHFFFAOYSA-N 408.342 4.978 0 1 HJAF CCc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)csc1C 587657647 CIGDETIXJUFHFR-UHFFFAOYSA-N 410.445 4.963 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(F)(F)F)(c2ccccc2)N1 587721896 RMGSVIKRTDAESJ-APPDUMDISA-N 418.228 4.902 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1 587729819 HUGDJQRSZZPBAB-CFMSYZGJSA-N 420.253 4.631 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c(-c3ccccc3)n2)N1 587754835 NCYHHQHAIALTQD-BLVKFPJESA-N 400.295 4.612 0 1 HJAF Cc1nccn1-c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758859 YMJMPHBDSPSMRB-FKIZINRSSA-N 400.295 4.706 0 1 HJAF CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587777946 KBIIPQAAWTYNPL-GIPWTMENSA-N 419.294 4.869 0 1 HJAF COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803386 AEEZWFLIUPAVQH-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)s2)N1 587847925 MUJHZNVUWIYRNM-YPMLDQLKSA-N 406.324 4.674 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Br)cccc2C(=O)OC)N1 962952716 VPHPMOUIJZLANS-FKIZINRSSA-N 413.315 4.731 0 1 HJAF CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)cc2[C@H](OC[C@H]2CC2(F)F)C[C@H]1C 1772616694 HCTGGDLUYRDBEX-QKAVXHIFSA-N 401.457 4.743 0 1 HJAF CC(C)=CCC[C@]1(C)Oc2ccc3c(c2C[C@H]1O)O[C@H](c1ccc(O)cc1)CC3=O 1857539787 TZJYPEVSQZANSZ-ARNLJNQMSA-N 408.494 4.900 0 1 HJAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@@H]2C(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@H](C)[C@@]12O 2356617512 HLAZCJDVEHCLSE-CDJIPSIZSA-N 400.559 4.873 0 1 HJAF F[C@@H](Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(Cc2ccccc2)CC1 1486798 MNQUDTHIXVJDIS-QFIPXVFZSA-N 417.532 4.584 0 1 HJAF CCOC(=O)c1cnc2c(cnn2/C=C/c2ccccc2)c1NCCc1ccccc1 13491866 FXLVTUPKINKFQO-JQIJEIRASA-N 412.493 4.891 0 1 HJAF O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CS[C@H](c2cccnc2)N1 13737447 KKTAYLANAIPECY-GBXCKJPGSA-N 415.518 4.728 0 1 HJAF C[S@@](=O)CC(=O)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 26742712 WBRJTHQCHPKHGJ-LJAQVGFWSA-N 419.468 4.813 0 1 HJAF O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1 142194413 NGWZGQJUTNDVDF-UHFFFAOYSA-N 420.432 4.899 0 1 HJAF CCc1c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc2c1=O 145693189 LGYSFYPQDGCQQE-UHFFFAOYSA-N 413.399 4.901 0 1 HJAF CN(C)Cc1nnc(C2CC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 169333095 MLLONQFENQYWQA-UHFFFAOYSA-N 415.324 4.744 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2cc3ccccc3cc2[nH]1 586980263 MELZLFKXROGNQV-UHFFFAOYSA-N 411.255 4.879 0 1 HJAF Clc1ccc(C2=C[C@@H](c3nc4c(Br)cnc(Cl)c4[nH]3)ON2)cc1 587075023 BMORWEMRTWLTLU-NSHDSACASA-N 412.074 4.644 0 1 HJAF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077440 XUWAELDUVRXKNR-UHFFFAOYSA-N 408.889 4.591 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3c2)cc1 587174983 UZHBRGDOAHSDJB-OAQYLSRUSA-N 404.397 4.957 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 587217729 DZBUARBTBKPNNT-LJQANCHMSA-N 411.383 4.981 0 1 HJAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349259 UBPSEUXAHAHJPP-UKYZCYKDSA-N 417.436 4.648 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)O2 587385308 MZOUZMZQZMDXQB-JOCHJYFZSA-N 402.441 4.634 0 1 HJAF COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587394488 WFEIPFZUGMAISM-NRFANRHFSA-N 413.477 4.915 0 1 HJAF Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587395876 VMHRWWBCHHOSNS-XMMPIXPASA-N 400.434 4.641 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)c(C(=O)O)c1)O2 587399429 KSZIUCZXMSXWNH-JOCHJYFZSA-N 403.434 4.561 0 1 HJAF COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432162 OHIXYHQICLXAOB-KOSHJBKYSA-N 418.493 4.811 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c(CC)cc(=O)oc3c1)CC2=O 587494690 ZSUZBXLUMQSWMR-VWLOTQADSA-N 422.477 4.816 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Br 587559878 ZYJWUSDTJLODQA-XLIONFOSSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccn1 587590524 YTKSCMYMAAURTK-ZEQKJWHPSA-N 409.441 4.887 0 1 HJAF O=C(c1cc(Cl)cs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659208 ZKYKCAYOUPIUMA-UHFFFAOYSA-N 402.809 4.745 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753146 IBYFFECZXSACHB-UVIMBBFXSA-N 423.326 4.685 0 1 HJAF COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(OC)c1O 587785044 HOMOQUJNHPRCPY-UHFFFAOYSA-N 406.282 4.990 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2ccc(C)cc2n1 587866608 OCNXKMHMPQPZOM-UHFFFAOYSA-N 414.387 4.612 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H](C)CCCC(C)C 587869074 AEGOYPLNISXNPE-ZDUSSCGKSA-N 414.497 4.910 0 1 HJAF COc1ccc(-c2ccc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2)cc1OC 587928880 ONGPULITCJXAFP-UHFFFAOYSA-N 417.509 4.855 0 1 HJAF NC(=O)N1CCc2sccc2[C@]1(c1ccc(Cl)c(Cl)c1)c1ccccn1 962705794 GSXPXFZWYFJIPA-LJQANCHMSA-N 404.322 4.679 0 1 HJAF CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nncn32)C1 1772581169 MFRACPLNOMGXAC-LBPRGKRZSA-N 412.946 4.899 0 1 HJAF CC(C)(C)CN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 1772605251 XMWPYVWGULSHEE-UHFFFAOYSA-N 420.966 4.549 0 1 HJAF COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3cccc4ccccc34)n2)cc1 1857648019 YQZIGBKGFMMMPU-UHFFFAOYSA-N 421.460 4.743 0 1 HJAF Clc1ccc(-c2nc3ccc(-c4cccnc4)cn3c2CN2CCOCC2)cc1 1857771644 BVQIXDOMXNONCH-UHFFFAOYSA-N 404.901 4.549 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)OC(=CCCC)[C@@]4(CC3)[C@@]21CCO 2356593181 ZTOVGCNYWBLMSL-FNWGLOPDSA-N 424.537 4.880 0 1 HJAF CC(C)CN1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ccc3ccccc3n2)CC1 61897712 RCZPIQLZVOOTMG-RUZDIDTESA-N 419.544 4.948 0 3 HJAF Cc1nc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c(C)c1C 13861596 SUZXNODIMMRFSK-UHFFFAOYSA-N 409.486 4.531 0 1 HJAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccc(Cl)cc3)ccc2=O)c1 25423987 HKOICLYLDHQRAQ-CTNGQTDRSA-N 415.924 4.660 0 1 HJAF biogenic COc1ccccc1NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26950895 FFFBLUYUGVALAT-XCOJUMJXSA-N 422.569 4.547 0 1 HJAF CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)C(=O)CC=C(C)C)OC1 27886842 JAQGMVZNBQCCQP-QNDCAWRUSA-N 422.562 4.709 0 1 HJAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1C[C@H]1C(=O)Nc2ccccc21 28242890 CTQOKAYZEWKBNS-DYESRHJHSA-N 415.880 4.624 0 1 HJAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82141502 XMEUMKAIPZSIDU-UHFFFAOYSA-N 418.516 4.934 0 1 HJAF CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccco1 82142187 UGWCOFQZVRZAQQ-UHFFFAOYSA-N 412.921 4.773 0 1 HJAF N[C@@H](CSC(Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)O 84710603 CTFLKIYVDOGKNQ-NRFANRHFSA-N 413.489 4.596 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95878866 CLIVIFLLNNUVCZ-VEXUSMLFSA-N 420.459 4.622 0 1 HJAF C1=C(c2c[nH]c3ccccc23)C[C@H]2CC[C@H]1N2CCOc1cccc2c1OCCO2 101118031 DJNWXEYVXXAHII-RTBURBONSA-N 402.494 4.638 0 1 HJAF Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)F)cc1 117411810 AXWNMOKUOCPKID-UHFFFAOYSA-N 402.348 4.846 0 1 HJAF CC(=O)O[C@H]1C(C)=C(CC/C(C)=C\CO)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O 139557114 QQJGTXJPLKSUKT-KRXIKRACSA-N 406.563 4.731 0 1 HJAF O[C@@H](c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1 140155265 ZFYRLAQGQOIDGT-QFIPXVFZSA-N 401.466 4.726 0 1 HJAF CCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@@H](C)C2=O 238779188 UXMDQRKTSNQRJU-MGPQQGTHSA-N 402.487 4.925 0 1 HJAF CC(C)Oc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br 586882448 UDNFRPZSMUKROR-FPLPWBNLSA-N 401.260 4.981 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc12 587075106 BFKBYSWGXPCKDE-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1 587126050 JOMFZVSJEGPIAB-WRWORJQWSA-N 405.302 4.633 0 1 HJAF C[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128461 ARSREUULSUQGID-BYPYZUCNSA-N 408.714 4.735 0 1 HJAF O=C(COc1ccccc1-c1nc2cnc3ccccc3c2[nH]1)Nc1ccccc1F 587153947 FXUPNUJVKGUWBQ-UHFFFAOYSA-N 412.424 4.935 0 1 HJAF O=C(Nc1cccc(-c2nc3ccc(Br)nc3[nH]2)c1)c1ccc(F)cc1 587163174 LQIPXIFSQQHEEE-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF O=C(O)CCN(CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)Cc1ccccc1 587193072 AETGIWRZTQMVCR-UHFFFAOYSA-N 415.493 4.875 0 1 HJAF Nc1cccc(O)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587250757 REHUMPXLLPRKTJ-UHFFFAOYSA-N 410.271 4.859 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587259051 WHBDIGVHKIKHSG-HNNXBMFYSA-N 413.403 4.549 0 1 HJAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2oc(N)nc2c1 587331637 DXDPRJUXDDLZNW-HYBUGGRVSA-N 418.424 4.837 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)O2 587381706 JXYMQIXWMTWNAY-IBGZPJMESA-N 408.376 4.569 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)O2 587385312 MZOUZMZQZMDXQB-QFIPXVFZSA-N 402.441 4.634 0 1 HJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ccccn1 587407972 DBVLKEDNPWGIPP-OAQYLSRUSA-N 406.507 4.980 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O 587442744 LHQZMLDIZXMVBW-DFBJGRDBSA-N 402.446 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587456740 XXLKULJANCWZKP-VAPDBKPJSA-N 414.457 4.871 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccccc1)C2 587581932 XWXXWCWMWAHCKP-RCZVLFRGSA-N 414.461 4.777 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cnccn2)cc1 587584741 AHOSRFKLXIOJDK-URXFXBBRSA-N 412.401 4.677 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824106 UFCMIZYSVWGKRN-SAZGQGMLSA-N 402.307 4.517 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)nc3sccn23)N1 587857024 PAZFIZDLUDBLMS-ABKXIKBNSA-N 406.324 4.798 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C(F)(F)F)cc1 587870868 KIMULUNCELWTKD-UHFFFAOYSA-N 408.351 4.826 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c1 587931175 FZVCOPFWQPCMPZ-UHFFFAOYSA-N 408.255 4.627 0 1 HJAF Cc1cc2c(cc1F)[C@@]1(NCC2)c2cccc3c2N(CCC3)C(=O)[C@H]1c1ccccc1 962297088 HZZCXRYPCNUPSE-SQHAQQRYSA-N 412.508 4.600 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)N(C)[C@H](C)C2 962633540 PJLZYVMOXNSVDH-BZQUYTCOSA-N 421.493 4.802 0 1 HJAF COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)NCCc2c1sc(C)c2C 963012302 QABRCVBFVMDUPD-XUZZJYLKSA-N 423.534 4.698 0 1 HJAF CCCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 1772572415 XNLPJXSZRVLTGM-BFHYXJOUSA-N 402.487 4.925 0 1 HJAF O=C1Oc2ccccc2[C@H]2Nc3ccc(Br)nc3[C@@H](c3ccccc3)[C@H]12 1857584545 BMJMLWOXWRWXBD-GBESFXJTSA-N 407.267 4.678 0 1 HJAF Cc1c(C(=O)Nc2cccc(Oc3ccccc3)c2)sc(=O)n1Cc1ccncc1 1857585519 FGBNJTAXSKOZQI-UHFFFAOYSA-N 417.490 4.706 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356344590 CESZWWHNRSDDNY-GNXKAVGDSA-N 416.599 4.796 0 1 HJAF O=C(NCc1ccccc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 3947918 TUMPZHKKBKEKOX-UHFFFAOYSA-N 406.795 4.822 0 1 HJAF CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4076727 YTLLVMLJCGRYJL-NOZRDPDXSA-N 413.521 4.600 0 1 HJAF Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3nc(-c4cccc(C)c4)oc3C)C2)cc1 6772220 UPDBNQDBDBEZDW-QHCPKHFHSA-N 417.553 4.795 0 1 HJAF O=c1oc(-c2ccccc2I)nc2cc(Cl)c(Cl)cc12 27736975 DMIGLZQAGVEUTI-UHFFFAOYSA-N 418.017 4.766 0 1 HJAF O=C(Nc1ccccc1)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72100830 UJFRYCGKVLAJKI-QFIPXVFZSA-N 421.932 4.506 0 1 HJAF CCCC[C@H](CC)CNc1nc(NC[C@H]2CCCO2)nc2cc(OC)c(OC)cc12 82128700 PJFMIFFKQLQYKJ-DLBZAZTESA-N 416.566 4.866 0 1 HJAF C/C=C/N1CCc2c(cc(OC(C)=O)c(OC(C)=O)c2Cl)[C@@H](c2ccccc2)C1 101771679 WKCFPQBZYMIMRI-FTJUBABDSA-N 413.901 4.714 0 1 HJAF CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3cc(-c4ccccc4)ncc3n1C)C2 299823879 AOOWUKRCTFDBNJ-UHFFFAOYSA-N 424.548 4.500 0 1 HJAF CC(C)Oc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586960853 QFVZQNQUIJSJOT-VWLOTQADSA-N 421.360 4.853 0 1 HJAF COC(=O)c1ccnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 587057169 SRSVOBUPAJASQD-UHFFFAOYSA-N 418.236 4.890 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587238594 DVCYBHZOPOPJFD-UHFFFAOYSA-N 413.197 4.810 0 1 HJAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418513 INYDZKWRGJVAJB-XOUMOGSDSA-N 404.293 4.720 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Cl)c(Cl)c3)nn1)CC2=O 587459656 CLNZPKSDURQJLN-IBGZPJMESA-N 418.280 4.939 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)cc1Cl)CC2=O 587463116 UFKPFFXAKHXLPA-QFIPXVFZSA-N 418.873 4.732 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(C(F)(F)F)ccc3n1C)CC2=O 587464462 QTRARYCZXOFLRC-SFHVURJKSA-N 404.388 4.957 0 1 HJAF C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499804 NAUXBGZNYVPCRX-OAQYLSRUSA-N 403.400 4.947 0 1 HJAF COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587500416 OTBACLQJDRFWIG-HSZRJFAPSA-N 409.869 4.734 0 1 HJAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCC1 587513104 HMNRTULPAAEGIC-QHCPKHFHSA-N 405.494 4.659 0 1 HJAF CCOC(=O)C[C@@]1(COc2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520908 GNCQANFDZQJYDS-RUZDIDTESA-N 408.494 4.610 0 1 HJAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587540489 AQPHMPIFRMPXNB-RXVVDRJESA-N 410.809 4.535 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 587585174 COCCOGXADYDZOF-RCZVLFRGSA-N 417.461 4.704 0 1 HJAF CC(C)(C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 587655513 KUTFGYKSKMQRFI-UHFFFAOYSA-N 404.416 4.960 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCOCC2)N1 587836166 SEWGSYNJNNQREN-QKKBWIMNSA-N 404.323 4.793 0 1 HJAF COc1cccc2c1OCC([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 587837165 ZWTXIYNFGWZONR-JEOXALJRSA-N 404.279 4.648 0 1 HJAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587945757 QOIDVOLDFOCOTD-UHFFFAOYSA-N 424.520 4.870 0 1 HJAF COC(=O)c1cc(Br)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963107953 MIUMGCYOKOQUPA-ZDUSSCGKSA-N 421.143 4.839 0 1 HJAF COc1ccc(C(=O)[C@H](CCC2CCN(Cc3cccc(C)c3)CC2)C(C)=O)cc1O 1772614335 SECLJIGCOQQKHR-HSZRJFAPSA-N 423.553 4.790 0 1 HJAF Nc1c([S@](=O)CCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 1772640946 JPNJHZVSNGCECQ-HHHXNRCGSA-N 414.577 4.764 0 1 HJAF O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2)c1cccc(O)c1 1857753713 CMABMSIBRBPFRT-UHFFFAOYSA-N 407.495 4.622 0 1 HJAF CC(=O)O[C@H](CCC(C)=C[C@H](O)CC(C)=CCCc1ccoc1)[C@]1(C)CCC(=O)O1 2356420142 QBMTWQFCLDXOKN-AKFKNWHVSA-N 418.530 4.663 0 1 HJAF CO[C@@H]1OC(=O)C2=C[C@H](OC(=O)C=Cc3ccccc3)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]21 2356456534 IJBOCWFTWIQMQW-FDMVAAMISA-N 410.510 4.530 0 1 HJAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](C(=O)O)O[C@]23CCCO3)C1 61944951 HGSKHVXPHGNQIX-POAVHNMLSA-N 406.563 4.631 0 3 HJAF Cc1cccc(Cl)c1Nc1nc2ccc(N3C[C@H](C)N[C@@H](C)C3)cc2n2cncc12 13860330 AVSQBQCRBXKOCO-HOTGVXAUSA-N 420.948 4.775 0 1 HJAF Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 40424007 LHVMWZYDNJRAKK-UHFFFAOYSA-N 421.859 4.871 0 1 HJAF CC(C)(C)COc1nc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12 49792525 CDOPZZJFMUYVKP-UHFFFAOYSA-N 421.423 4.723 0 1 HJAF C[C@H]1CCC[C@@H](C)N1Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66259182 IUALIHPRDXWTSS-VGTOOOLASA-N 403.828 4.894 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2C[C@H]1CCCO1)c1ccccc1 82188231 MPKGJOANCYOGSD-QFBILLFUSA-N 419.554 4.949 0 1 HJAF COCCC(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638806 MRDYROBZWCZYMZ-BGYRXZFFSA-N 415.574 4.787 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1 103213471 BRDITIXGXDAPAT-AWEZNQCLSA-N 411.093 4.960 0 1 HJAF COc1cc(-c2ccc3ncnc(Nc4c(F)ccc5[nH]ncc45)c3c2)ccc1O 143030479 YRUUHVHWQRWHCT-UHFFFAOYSA-N 401.401 4.770 0 1 HJAF CC(C)Cc1nnc(NC(=O)c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)s1 261186127 XMKGIRXDLXONLW-SHTZXODSSA-N 401.532 4.737 0 1 HJAF COc1ccc2cc3n(cc-2c1=NCc1ccccc1)CCc1cc2c(cc1-3)OCO2 377839276 XEDNRGSTIPLFLT-UHFFFAOYSA-N 410.473 4.654 0 1 HJAF Cc1nn(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)c(C)c1Cl 587065490 QQZPZEVOQRSZET-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)c(Br)cc2[nH]1 587088551 OOGYSNHKZGDUOB-SSDOTTSWSA-N 421.083 4.838 0 1 HJAF C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@@H]2O 587215875 PFHFMHJAVNAZPF-CWSZKJPASA-N 415.577 4.847 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)O2 587396237 QXPXQJBKCWMDMT-DFBJGRDBSA-N 422.525 4.706 0 1 HJAF COc1cccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)c1 587412314 ADIOLUJTAFMDEW-XMMPIXPASA-N 420.534 4.627 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cnc(Cl)s3)c1)O2 587414680 UQORLUHJNWJVCR-SFHVURJKSA-N 400.887 4.973 0 1 HJAF O=C1C[C@H](c2cccc(I)c2)Oc2c1ccc1c2CCCC1 587508442 VZLCBSMVEKRMHF-GOSISDBHSA-N 404.247 4.877 0 1 HJAF Cc1ccc(C)c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571887 MWTAVERYQRWYIE-UEZDOGJKSA-N 415.489 4.941 0 1 HJAF Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 587573428 BUOVPVJBZSAAAW-OZXSUGGESA-N 407.425 4.860 0 1 HJAF CCc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)s1 587648516 AQMCTKNFECRYOS-UHFFFAOYSA-N 401.431 4.607 0 1 HJAF O=C(Cc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656394 ZGTZNLIZGGGUEC-UHFFFAOYSA-N 412.342 4.503 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587707340 UFUQDOCKPZQHAK-ABKXIKBNSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587729078 GDDZPRVYSQROFS-QPFGOUBPSA-N 421.241 4.530 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3F)c2)N1 587730115 WUCRNBLCRSRURD-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCN(Cc3ccccc3)C2)N1 587762299 SFAQOPIIYBPGHX-ZJTDPSCFSA-N 403.339 4.686 0 1 HJAF COC(=O)C[C@H](C)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587783617 XBMPBRYYCNALKE-GFCCVEGCSA-N 419.403 4.576 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)nc3sccn23)N1 587853675 AWFXVUQSCATYQM-FVMDXXJSSA-N 406.324 4.798 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncnc(Cl)c3s2)N1 587858446 QRPPWECNXVQVNZ-UOWDBTKRSA-N 412.715 4.870 0 1 HJAF COc1ccc2c(c1)[C@H](c1cc(Br)cc(C(=O)O)c1)N(C(C)C)CC2 962085943 CCWUZTKOZHXJJI-IBGZPJMESA-N 404.304 4.512 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccc(C)nc1)(c1ccc(F)cc1F)N(C)[C@H](C)C2 962634607 UOCDWNGGLNAGAP-CPJLOUKISA-N 424.491 4.854 0 1 HJAF CCOc1ccc2[nH]c3c(c2c1)CCC[C@]31NCCc2cc3cccc(OC)c3nc21 963049911 WLSVFRJDGKRVND-AREMUKBSSA-N 413.521 4.849 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(Br)c(C)c1)C1CC1 963629398 BFHJHJXUSGROFA-FPTDNZKUSA-N 416.359 4.963 0 1 HJAF C[C@]1(c2ccc(F)c(N)c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832296 NOMBZTCXRLJXAX-RUZDIDTESA-N 401.485 4.877 0 1 HJAF COc1cccc(OC)c1-n1cc(-c2ccccc2Sc2ccc(N)cc2)nn1 1857550811 ARKDNEFYSYCWRN-UHFFFAOYSA-N 404.495 4.685 0 1 HJAF O=C(/C=C/c1ccccc1)Nc1ccc(CC2=CC(=O)O/C2=C/Br)cc1 1857629697 JXQJVLYHYGMFMX-SFRRXYARSA-N 410.267 4.601 0 1 HJAF COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)cc1OC 12436408 DEEJEYDLDHHKGK-LJQANCHMSA-N 407.514 4.519 0 3 HJAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 12477005 LGKANMWQYVKJNT-SFHVURJKSA-N 409.873 4.573 0 3 HJAF O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1 13766496 ZBVPFGSTRSXASF-HSZRJFAPSA-N 402.515 4.791 0 1 HJAF CNCc1ccc(Cc2cccc(-c3c(O)[nH]c4cc(Cl)ccc4c3=O)c2)cc1 13775730 YPFQCKRQPWODIX-UHFFFAOYSA-N 404.897 4.864 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3ccc4c(c3O[C@H]21)C=CC(C)(C)O4 15217341 CMHGFGMNRHHGSN-ILBGXUMGSA-N 406.478 4.799 0 1 HJAF biogenic CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cscc2-c2nnn[nH]2)cc1 36222110 FGENROLTIXNNMO-UHFFFAOYSA-N 415.526 4.567 0 1 HJAF Cc1cc(Cl)cc2c1S(=O)(=O)N[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)S2 40848914 RYCBRKHBTZTJPK-OAHLLOKOSA-N 422.742 4.548 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F 64286987 HKLWSBIHHHYTLH-FQEVSTJZSA-N 410.411 4.914 0 1 HJAF COc1cc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc(OC)c1OC 72103254 WRZKSTWQAMAOPJ-ZVZYQTTQSA-N 400.519 4.529 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCc3cccs3)ncnc21 82189998 LBIDWFOXCARYRL-GOSISDBHSA-N 418.570 4.651 0 1 HJAF CCCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NCCCOC(C)C 82195619 HXIDAVBGCITLLE-SFHVURJKSA-N 407.555 4.851 0 1 HJAF O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2ccc(F)c(Cl)c2)no1 95573087 SGJQNINMCWELAW-UHFFFAOYSA-N 424.863 4.716 0 1 HJAF CCOC(=O)Nc1cc(NC(=O)c2ccc(F)cc2)c2nc(-c3ccco3)[nH]c2c1 96928341 OKTMJRYXDBMGCB-UHFFFAOYSA-N 408.389 4.783 0 1 HJAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@H](CCc2ccccc2)NC1=O 101164707 AJMNLBKMFPNGME-NRFANRHFSA-N 404.510 4.616 0 1 HJAF CC(C)CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12 142895701 ZFKBUWORWYMMRU-UHFFFAOYSA-N 408.456 4.905 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1[C@@]21N=C(C)C(N)=N1 169687794 XSPYGYYSPGDIRH-HXJXPZHGSA-N 408.933 4.518 0 1 HJAF O=C1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2OCCN1Cc1ncccc1F 206192678 LTDJJHZEFKYWMI-UHFFFAOYSA-N 416.374 4.941 0 1 HJAF Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 299836335 YSYOXZUGXUFMKJ-UHFFFAOYSA-N 414.943 4.597 0 1 HJAF O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845685 OMFZHJNGAXURSE-NJDAHSKKSA-N 413.359 4.824 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ncccc3Br)nc3ccc(O)c1c23 586984362 JSFPAPSGPCNMIZ-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF COc1cccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)c1 586990845 GMIISTCEKTYSOO-LJQANCHMSA-N 421.452 4.808 0 1 HJAF Fc1cc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587127026 KTGGYBZGPXBLOZ-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF C[C@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335762 OTUGMFOKFIYTFC-LADGPHEKSA-N 423.415 4.817 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncccn2)[C@H]1c1ccc(F)cc1 587340887 USBVTNDPLJJTPC-WIOPSUGQSA-N 412.420 4.624 0 1 HJAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345300 ISSAIOQDQMHDJM-QPPBQGQZSA-N 406.457 4.790 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2 587383346 SETPWCCZOMMSGI-VBKZILBWSA-N 404.432 4.846 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O 587417839 FDZINNRCVOJMMC-WDJPJFJCSA-N 406.865 4.725 0 1 HJAF CN(Cc1cccc(Cl)c1)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499988 KYMYNQYFOCHBRS-DEOSSOPVSA-N 411.929 4.991 0 1 HJAF CCOC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513540 CATPTDXDHIMZQI-QHCPKHFHSA-N 403.478 4.790 0 1 HJAF CCOC(=O)[C@@H](CC)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522274 KPRCORPBJWNZGF-FYYLOGMGSA-N 408.494 4.992 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(Br)c1 587538836 GVSPICKTIIOEOE-XLIONFOSSA-N 413.223 4.563 0 1 HJAF CCCOc1c(OC)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598425 URNGDDQNFJZQOR-GBXCKJPGSA-N 406.434 4.893 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587712172 JOPSPZHGWWZGIQ-ZKANADHPSA-N 403.217 4.934 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N)cc12 587743195 CLHDPLXFFTWNGC-VERVWZFWSA-N 409.302 4.977 0 1 HJAF CCc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587746181 YSFUHCSIRNQNOD-YEJXKQKISA-N 419.338 4.929 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587767247 IPVACTQVPJJIDR-DMZKTXOQSA-N 424.317 4.994 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789798 BNTMVKHZYJIAIV-YBTHPKLGSA-N 416.294 4.611 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)[nH]n1 587864951 WIEBSKGKMDZOSB-UHFFFAOYSA-N 418.400 4.718 0 1 HJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1 587930663 OXCVFCPRUGIHBZ-XIKOKIGWSA-N 404.251 4.621 0 1 HJAF COc1ccc2c(c1)[C@@](c1ccccc1)(c1ccc3oc(N)nc3c1)N(C(C)C)CC2 962085776 ATCJMHMQBRMKBW-AREMUKBSSA-N 413.521 4.977 0 1 HJAF CC[C@]1(c2ccc(C(=O)O)cc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963535 ZCGYMNVVEKQRGF-JOCHJYFZSA-N 419.443 4.709 0 1 HJAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(OCCc3ccccc3)cc2)N1 963238095 VNYPUESTYZEOIQ-FTJBHMTQSA-N 424.500 4.545 0 1 HJAF O=C(O)/C=C/c1cc(NC(=O)CCc2ccccc2)cc(-c2cccc(CO)c2)c1 1857602611 SSUFRJNUGOYRHF-ZRDIBKRKSA-N 401.462 4.515 0 1 HJAF CCCC[Si@@]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 1857627365 ZCGWLRACIGAJIP-NDEPHWFRSA-N 418.453 4.972 0 1 HJAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@H](O)[C@]1(C)CCC(=O)O1 2356409099 YRNRZLZDGLUALE-URXFXBBRSA-N 416.514 4.543 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)C[C@H](C)CC[C@]1(C)CCC[C@H]2C1=CCCC2(C)C 2356816474 DBLFDBTUHOGKHH-HMSHQKHKSA-N 408.579 4.813 0 1 HJAF CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCO 13672221 YKKPZLCOBPPVSV-UHFFFAOYSA-N 415.555 4.696 0 1 HJAF O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)C1 13673900 GEMQKZAVXUVYBN-UHFFFAOYSA-N 411.461 4.587 0 1 HJAF O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 40974178 GTBCQFYKMQRRPD-ZEQRLZLVSA-N 421.924 4.886 0 1 HJAF CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCC(=O)N2c1c(C)cc(C)cc1C 49067187 WDNCGRNSQGMPCN-UHFFFAOYSA-N 422.573 4.701 0 1 HJAF O=C1C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)c2cc(Cl)ccc21 64504161 YOJVLZQPWWUFBC-UHFFFAOYSA-N 400.265 4.573 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](C)[C@@H](C)C2 68590518 HFOJLJJWRROUFQ-STQMWFEESA-N 402.487 4.701 0 1 HJAF biogenic CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCC2CCCCC2)cs1 82069264 CYNSTVYMOBXRQS-IBGZPJMESA-N 414.571 4.560 0 1 HJAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 82069933 QFMGQZUETAULQE-HXUWFJFHSA-N 411.571 4.571 0 1 HJAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185874 RZBFCLRXPCRLNX-KRWDZBQOSA-N 419.504 4.570 0 1 HJAF CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1Cl 84617834 WMWSTVYFFWEFCV-UHFFFAOYSA-N 402.838 4.612 0 1 HJAF C[C@H]1CCCC[C@@H]1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I 95587446 MYABXEXZTGUJKK-BBRMVZONSA-N 423.294 4.528 0 1 HJAF COc1cccc(Nc2cc(-c3cccc(Br)c3)nc3c2C(=O)NCC3)c1 116989677 DZBKKACXTUJXJD-UHFFFAOYSA-N 424.298 4.549 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)nc2)n1 142126907 QEXZZPPSSCQUJE-QFBILLFUSA-N 419.485 4.818 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CNCC5)nc32)CC1 169700166 KIVUTDQWWQUQAK-WOVMCDHWSA-N 413.529 4.515 0 1 HJAF Cc1cc(Oc2ncc(Cl)cc2C(F)F)ccc1-c1c(C)c(O)nc(=O)n1C 261110852 IBARSPXFLSEGBX-UHFFFAOYSA-N 407.804 4.548 0 1 HJAF COc1ccc2[nH]cc([C@]3(O)C(=O)N(Cc4ccccc4Cl)c4ccccc43)c2c1 299827701 HEMQOERNMRJDRC-DEOSSOPVSA-N 418.880 4.613 0 1 HJAF CN(C)CCCn1c(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 299868306 ZTEYSUOCCXCRDR-IZZDOVSWSA-N 402.325 4.825 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299881542 OEBOLKNHEYCYKA-NEKRIBJYSA-N 416.562 4.519 0 1 HJAF COc1cccc(C(=O)n2c(-c3cn(C)c4ccc(OC)cc34)nc3ccccc32)c1 473105329 SDQOQVAHHQYCIB-UHFFFAOYSA-N 411.461 4.901 0 1 HJAF CSc1sc(-c2nc3cc(C)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919957 JQASCSDTFGHCEC-UHFFFAOYSA-N 401.966 4.552 0 1 HJAF Clc1cccc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)c1Cl 587015649 UQYLWQXULXOGQS-UHFFFAOYSA-N 414.281 4.636 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)ncc2[nH]1 587136286 FSCOHVQEVIXHNE-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COc1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(I)c1 587179766 FOCODKVXYYLONB-UHFFFAOYSA-N 400.219 4.996 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352486 ONCJBRWHDBTLIA-ZCYQVOJMSA-N 420.436 4.749 0 1 HJAF CN=c1nc(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[nH]s1 587366001 JQDLPJDPLQEBRV-UHFFFAOYSA-N 402.479 4.563 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)O2 587382189 JXXUELHXJFSRBL-INIZCTEOSA-N 406.326 4.834 0 1 HJAF COCOc1ccc([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515798 RPESIXDJEWTHRL-AREMUKBSSA-N 415.489 4.852 0 1 HJAF COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547332 LUHHMCSMVYLSHL-AUSIDOKSSA-N 424.836 4.709 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1F 587557307 MNMZJIBGRVXMDY-FXAWDEMLSA-N 415.214 4.997 0 1 HJAF CN(c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CC1 587572678 UBQXEHHAXNBSPE-ZJSXRUAMSA-N 405.425 4.833 0 1 HJAF CC[C@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605650 AKYUKTZUHWQJOP-WIOPSUGQSA-N 402.446 4.984 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@]2(c3cccc(F)c3)CCOC2)N1 587729551 HIABMWQQMZTROV-TVNIXMEMSA-N 408.286 4.661 0 1 HJAF COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C 587759472 UDSBVTNJIQNSHN-YBTHPKLGSA-N 403.295 4.712 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1 587829039 VOICOTRYXQPBQY-GTJPDFRWSA-N 418.306 4.791 0 1 HJAF CCCOc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Br 587929793 LGNSHMMCKJKWPY-UHFFFAOYSA-N 403.276 4.548 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CC=C(c3ccc(F)cc3)CC2)N1 962978057 QRZYNLIRZJYNAQ-UTKZUKDTSA-N 407.819 4.819 0 1 HJAF COc1cccc2cc3c(nc12)[C@](C)([C@H](C)N1CCCc2cc(C)ccc21)NCC3 963027835 AKSDSLMWHDJWPM-QYBDOPJKSA-N 401.554 4.754 0 1 HJAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963095571 CVAJKNCVCMVUKC-BBRXXVFBSA-N 407.529 4.906 0 1 HJAF Cc1cc(-c2cccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)c2)ccc1O 963235822 VSPMEWUTEWKJFF-ILBGXUMGSA-N 410.473 4.604 0 1 HJAF CC(C)c1nn(-c2ccc(Br)cc2)c2nc(C3CC3)cc(C(=O)O)c12 1857552214 PASWNRXWQARAMT-UHFFFAOYSA-N 400.276 4.882 0 1 HJAF COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3n2Cc2ccccc2)cc1 1857642266 ZBFYZZPSJKUOEE-UHFFFAOYSA-N 401.462 4.743 0 1 HJAF Oc1c(F)cc(-c2cnc3[nH]ccc3c2-c2ccc(N3CCOCC3)cc2)cc1F 1857648802 VCHSVXNNDHWXHW-UHFFFAOYSA-N 407.420 4.717 0 1 HJAF CC=C(C)C(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]2CC[C@H]1C3 2356468886 UIUJNISMUICRML-DBGGZKJISA-N 404.591 4.631 0 1 HJAF CO[C@H](C=CCCCCCC=C(Br)Br)[C@H]1CCC(=O)O1 2356613901 BIIOETBIMPWOIM-CHWSQXEVSA-N 410.146 4.845 0 1 HJAF C[C@@H]1O[C@H](O)[C@@H]2[C@@H]1[C@H](O)C[C@H]1[C@]2(C)C(=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 2356787029 BELLAZXMZVYXDG-QBLNBQRXSA-N 418.618 4.565 0 1 HJAF CCCCC[C@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(C=O)c2C=C[C@@H]1O 2356818585 DUIBJHDVPDDUKP-PZJWPPBQSA-N 410.466 4.799 0 1 HJAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774564 YCJZCMXOSSJKGW-JKSUJKDBSA-N 402.903 4.757 0 1 HJAF Cc1ccc2cc3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)sc3nc2c1 4886225 VVPVUUZEKWDBRA-UHFFFAOYSA-N 416.550 4.762 0 1 HJAF C[C@@H](NC(=O)[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 13681783 NLFQZGZNWSXJNG-WPQFEJNOSA-N 419.565 4.713 0 1 HJAF COC(=O)c1cccc(-c2cnc([C@@H](O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135930 JMOYVFIGVDVEHK-QFIPXVFZSA-N 414.461 4.856 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@H]4[C@H]3CC[C@@H]12 34315787 IVMOGXVDSLYJFW-XNRXYSKOSA-N 424.610 4.956 0 1 HJAF O=S(=O)(c1ccc(Cl)cc1)c1cnc2c(NCC3CCOCC3)cccc2c1 35269148 FZWCDJAVYMSABM-UHFFFAOYSA-N 416.930 4.560 0 1 HJAF O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12)c1ccccc1 38151312 KLDPHAYIIULOBY-UHFFFAOYSA-N 408.523 4.703 0 1 HJAF CCNC(=O)Nc1ccccc1SCCSc1ccccc1NC(=O)NCC 40952288 OZRGMRXXGGCUEW-UHFFFAOYSA-N 418.588 4.854 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccnc(Cl)c3)cc2)c2ccccc2n1 45255566 JIFZTSSDQGCLLR-UHFFFAOYSA-N 418.888 4.584 0 1 HJAF CC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4cc(Cl)ccc4o3)CC2)cc1 66111596 WGAHRLZLPLYRHX-UHFFFAOYSA-N 411.889 4.929 0 1 HJAF CC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3ccc(Br)cc23)cc1 72111334 OJPVVBOYJLHWSN-UHFFFAOYSA-N 407.271 4.839 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccc(C)cc3)[C@@H](O)c3ccccc3)CC2)cc1 169325000 DIJPVVPSPYYUBP-SXOMAYOGSA-N 416.565 4.596 0 1 HJAF COc1ccc(Cl)cc1-c1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 218393344 RLIOLXJLPFGZKA-QFIPXVFZSA-N 423.940 4.814 0 1 HJAF CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@H]12 254114643 IRGZJOASCLJVTK-LYCSZFELSA-N 421.537 4.512 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cncc2[nH]1 587077102 QUODDNDRCVECAO-UHFFFAOYSA-N 401.651 4.808 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137850 OKVBHGSORZSGBY-UHFFFAOYSA-N 411.658 4.891 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)c2)c1 587232667 YPHDPJBAWFSLCE-UHFFFAOYSA-N 410.399 4.594 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccccc3F)cn1C)CC2=O 587467409 RJXABYMSCFSAEN-QFIPXVFZSA-N 407.441 4.760 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CC=CC[C@@H]1C(=O)O)CC2=O 587487570 GLNQEQMZPLTKRN-APJQNUAFSA-N 406.478 4.872 0 1 HJAF C[C@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543398 BSDGVVZYJRKOPJ-JXFKEZNVSA-N 402.233 4.971 0 1 HJAF COc1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587555670 HIPXXZRTIXDPFM-UTKZUKDTSA-N 400.789 4.896 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723635 YFPIZPSXNCMEKT-XBSMWNEMSA-N 410.155 4.907 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728234 ACTYZDNSKOBQFK-WYRIXSBYSA-N 409.274 4.506 0 1 HJAF CCn1c(=O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21 587771432 SRHNCYNTNUQESZ-ODXCJYRJSA-N 415.306 4.547 0 1 HJAF CC(=O)Oc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812691 RJDYWTHUNYRMSJ-MPBGBICISA-N 406.295 4.754 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)nc3sccn23)N1 587853677 AWFXVUQSCATYQM-XXFAHNHDSA-N 406.324 4.798 0 1 HJAF Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1nc(N2CCCCC2)ncc1F 587945030 GTFYHTSHTWFFFJ-UHFFFAOYSA-N 423.275 4.782 0 1 HJAF CC(C)(C)OC(=O)NCCCC[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 1772634992 HROQLEWKASEJJL-FQEVSTJZSA-N 407.514 4.540 0 1 HJAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]21C 2356674080 UDSKICOBWGFUCN-CDNNERCOSA-N 402.531 4.798 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 768643 MZKPPDBBCUUCCO-CTNGQTDRSA-N 412.848 4.523 0 1 HJAF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4055974 IKRDPUBJRXEAHA-FYYLOGMGSA-N 420.896 4.627 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccccc1N 4080448 VZBRFDOSAVIHKJ-BJKOFHAPSA-N 423.557 4.998 0 1 HJAF O=C(NCCN1CCc2ccccc2C1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958566 VLZZLDRKLNBQCA-UHFFFAOYSA-N 419.956 4.555 0 1 HJAF CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1 13441320 RVTWDXPARRMUCU-UHFFFAOYSA-N 405.542 4.885 0 1 HJAF COCCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC 13490848 UUQNYXBCMPKJHG-UHFFFAOYSA-N 422.510 4.839 0 1 HJAF Nc1cc[n+](CCCCCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12 13758347 JRYVUXMSOSPFAH-UHFFFAOYSA-P 400.570 4.773 0 1 HJAF CN(C)c1ccc(NC(=O)/C=C/c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1 13761291 SIGCBOLTXGSTOV-BQYQJAHWSA-N 418.280 4.891 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3ccc(O)c(CC=C(C)C)c3O[C@H]21 14780982 ZAAKSBRPXNODLV-JWQCQUIFSA-N 408.494 4.829 0 1 HJAF biogenic C[C@@H](N1CCOCC1)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21 14959520 SAFJFWSNEFJDPZ-KRWDZBQOSA-N 402.473 4.755 0 1 HJAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCNC1=O 26268557 VLNXVOXUHLYOHH-AREMUKBSSA-N 401.428 4.718 0 1 HJAF CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12 26578344 UHMFNDHUKFJDDW-XBGJBJTKSA-N 417.553 4.646 0 1 HJAF O=C1Nc2cccnc2N(C(=S)C[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc21 26821045 AGKOAFGRVCVBFH-LPHOPBHVSA-N 406.555 4.767 0 1 HJAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC(F)(F)F)cc1)CCCC3 28948921 ASNCUKHHKQINEN-UHFFFAOYSA-N 412.458 4.947 0 1 HJAF Fc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1 36425448 RFSSBTBRSZAIBG-UHFFFAOYSA-N 419.716 4.646 0 1 HJAF O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1 49088030 RYMBLKSWXYZCRJ-UHFFFAOYSA-N 419.488 4.988 0 1 HJAF Cc1cccc2c(CC(=O)Nc3nc4cc(Cl)c(F)cc4s3)cc(=O)oc12 71340525 OUUMALFDHXSEJL-UHFFFAOYSA-N 402.834 4.685 0 1 HJAF CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103683875 PIGOZCATPXQNDE-QHCPKHFHSA-N 403.478 4.986 0 1 HJAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc12 114713547 MTDGXOGHMVHBTP-UHFFFAOYSA-N 410.543 4.866 0 1 HJAF CC(C)Oc1ccc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1 205442209 XZNCMEXFLMXNTP-OAHLLOKOSA-N 416.485 4.690 0 1 HJAF C[C@H]1c2ncn(-c3cnccn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225985209 PHBHCPMOVBUSRC-NSHDSACASA-N 419.794 4.522 0 1 HJAF O[C@H](c1ccccc1)[C@@H]1CN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC[C@@]1(O)c1ccccc1 253683151 LFNIKHHUYFVLKL-QNARSPCNSA-N 405.582 4.756 0 1 HJAF COc1cc(CNCc2ccncc2)ccc1OCc1cnc(Cl)c(Cl)c1 299838312 UOBNIKLGJZUCTJ-UHFFFAOYSA-N 404.297 4.661 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)cc1N 587005358 FJPXCRZLASNMSP-UHFFFAOYSA-N 414.694 4.872 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(Cl)c1 587072618 ZHJIMMWIPPRXKQ-CQSZACIVSA-N 415.877 4.754 0 1 HJAF C[C@@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377533 RZFPBVAOWPENAX-XMSQKQJNSA-N 412.438 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1cccnc1)(c1ccccc1)CC2=O 587470411 MONCBUGSXYHKCZ-VWLOTQADSA-N 416.477 4.629 0 1 HJAF COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577595 OCKXJICFUMQBDQ-RDGATRHJSA-N 413.429 4.894 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)c1 587613623 OHTXXAXIMIOZSS-MAUKXSAKSA-N 403.253 4.919 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2Br)N1 587676307 GGDIYOGTZDWYHA-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587694763 ACOAWQMMRICWEG-JEOXALJRSA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587721189 PBYOXQMGPZOHOH-XYZCENFISA-N 414.221 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)cc2)N1 587752102 BRFKHFNEFYDOTB-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF C[C@H](NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587757999 WDLLTAGBZZBNKX-HKZYLEAXSA-N 419.338 4.605 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1 587758732 JDNFASWPCAERES-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF COc1cccc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 587776511 DKLAYVFGSLEPKR-YBTHPKLGSA-N 401.279 4.769 0 1 HJAF CCOC(=O)C[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798102 NUKLLNWRJWHUTL-ZUOKHONESA-N 412.343 4.851 0 1 HJAF CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798505 ORBIMRFDELUFRV-MPBGBICISA-N 406.295 4.563 0 1 HJAF CCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587820575 AOYYQEGTFMXMME-LRTDBIEQSA-N 420.322 4.793 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587832596 ZKUVBAOXWYYVKV-RBZFPXEDSA-N 406.295 4.539 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CCOC2)(c2ccccc2)N1 587835294 PAPBUWWGYJDKGV-PZPWOCDFSA-N 404.323 4.793 0 1 HJAF Oc1cc(-c2ccccc2F)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587945697 MPNKKTNHHNYMDJ-UHFFFAOYSA-N 417.799 4.720 0 1 HJAF Brc1ccn2cc([C@@H]3NCCc4cccc(-c5ccccc5)c43)nc2c1 962669146 PDEXHKZBHYUTNF-QFIPXVFZSA-N 404.311 4.999 0 1 HJAF CCc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(F)c1F 963175429 BOMANTHEOQPHHY-SJCJKPOMSA-N 419.777 4.888 0 1 HJAF CC1(C)CC[C@@]2(c3nc(Cl)cc4c3CCN2C4)c2[nH]c3ccc(C(=O)O)cc3c21 963469622 JYSNQMFDHBRPDT-HSZRJFAPSA-N 407.901 4.601 0 1 HJAF O=C(Nc1cc(Br)ccc1O)c1cc2ccc(Br)cc2[nH]1 1772629795 LSXHXIVJLXARIK-UHFFFAOYSA-N 410.065 4.651 0 1 HJAF OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(F)cc3)c2)cc1 1857556886 PQBVBVYYHUDOMV-XMMPIXPASA-N 421.512 4.940 0 1 HJAF CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cn(C(C)=O)c3ccccc23)CC1 201475511 XKXMINYSCQMUIY-UHFFFAOYSA-N 418.537 4.689 0 3 HJAF NCCCCN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13580507 VYRDPBDLAQLRSZ-AIZNXBIQSA-N 400.513 4.805 0 1 HJAF Cc1oc(-c2ccccc2)nc1C/C=C/c1ccc(C[C@@H]2SC(=O)NC2=O)cc1 29489536 HRZPJKZBVSIPLB-XJDXJNMNSA-N 404.491 4.800 0 1 HJAF COc1cccc2c(C(=O)N3CCN4CCCC[C@@H]4C3)cn(CC3CCCCC3)c12 64559577 NTIFEVGVXWYYHK-HXUWFJFHSA-N 409.574 4.541 0 1 HJAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 72129976 VBSVTTLLONSJNC-BHIFYINESA-N 402.970 4.738 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C 82136334 DPMGPGVRTJKLHE-LPNJYYIDSA-N 422.548 4.905 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82160030 PAPYAXQKUDCHHG-UHFFFAOYSA-N 418.516 4.935 0 1 HJAF FC(F)(F)c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1 101676282 GLFZIVKBXLWTMQ-XEWABKELSA-N 404.436 4.663 0 1 HJAF O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc([C@@H](O)C2CCCCC2)cc1 137016780 IWSXNGMJGVZSIZ-LSAVBLLPSA-N 416.558 4.759 0 1 HJAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(F)cc1F 143219962 JLOCNBNTRGBNSU-UHFFFAOYSA-N 410.298 4.717 0 1 HJAF CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169093457 ZOJYMCBGKBJTGD-SJBKTWHCSA-N 412.618 4.912 0 1 HJAF Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCc1ccccc1 203540093 STEACKYPSKNGJJ-UHFFFAOYSA-N 417.900 4.613 0 1 HJAF COc1ccc(COC(=O)C2=C(C3CCCCC3)NC(=O)N[C@@H]2c2ccccc2)cc1 205384207 JFVHEPRLCSZMHU-JOCHJYFZSA-N 420.509 4.627 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(O)cc4[nH]3)c(=O)oc2c1C 586917797 IZPQJYNEPOVCCK-UHFFFAOYSA-N 404.466 4.928 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)c1 586966057 CEJBCPAFEMADFU-UHFFFAOYSA-N 414.437 4.979 0 1 HJAF FC(F)(F)c1cc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc(C(F)(F)F)c1 587109283 GBPQNAZSXRQFFP-UHFFFAOYSA-N 402.294 4.963 0 1 HJAF Cc1c(Br)ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587195296 DBWIVSOSQGXLMS-ZDUSSCGKSA-N 424.339 4.550 0 1 HJAF CCS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587208559 BQUXEDKLEIBXRZ-UHFFFAOYSA-N 414.486 4.875 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238882 HCSSNJWZBIVLKF-QTPGKHNVSA-N 405.926 4.771 0 1 HJAF Cc1nc(O)c(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330591 OBMXUAXPAYCWEZ-KNQAVFIVSA-N 413.832 4.868 0 1 HJAF Cn1cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2n1 587342292 MRIBIEICQFEARI-UPVQGACJSA-N 402.425 4.692 0 1 HJAF COc1cc(C)cc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356155 IUQXGNFDEDRUTP-RCZVLFRGSA-N 420.436 4.885 0 1 HJAF Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510025 UFFZZQCADUNOAK-HSZRJFAPSA-N 403.453 4.981 0 1 HJAF Cc1ccc(S(=O)(=O)n2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587532937 QLOSGNOJZKMALO-HSZRJFAPSA-N 421.518 4.619 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587581630 WTAAOGGJWXHGAS-WIOPSUGQSA-N 417.461 4.758 0 1 HJAF Cc1nc(-c2ccncc2)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587662052 WZFCPUKFKNCOKL-UHFFFAOYSA-N 423.451 4.661 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccn2)N1 587676010 BJDRYFDOVUDHJH-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF COC[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587723579 BPTNAPMHVWAWIJ-MLCYQJTMSA-N 416.693 4.805 0 1 HJAF CC[C@]1(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1 587745105 JNNJUQWNAVCGHO-YFMVFKIRSA-N 419.338 4.899 0 1 HJAF C[C@H](C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(=O)OC(C)(C)C 587752262 DPJGADWJHYXONG-HNYWDRBLSA-N 415.347 4.641 0 1 HJAF CCOc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C 587759532 UNLMVTGEMRPPRR-CWTRNNRKSA-N 424.358 4.771 0 1 HJAF COc1ccc(OC)c2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587805009 CNSAMFYITPMGIV-QKVFXAPYSA-N 420.322 4.720 0 1 HJAF Cc1cc(=O)oc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc12 587837324 FUXZLUXOWQNFNJ-GIPWTMENSA-N 402.263 4.627 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(SC(=O)N(C)C)c2)N1 587847261 SYDAWBBWQITGFM-ZMZPIMSZSA-N 423.351 4.986 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)s2)N1 587854991 SRZFYYVJZSCYJL-NXSYQRQQSA-N 420.145 4.605 0 1 HJAF COc1ccc2c(c1OC)[C@@]1(CCc3cc(Br)ccc3C1)N(C)[C@H](C)C2 962630659 NRBGZINIXQRPBN-PEBXRYMYSA-N 416.359 4.727 0 1 HJAF CSC(=C[C@]1(c2ccccc2C)NC[C@@H]2CC(=O)N(C)c3cccc1c32)SC 963032674 SKTOCKDXOCPMEE-QMHKHESXSA-N 410.608 4.859 0 1 HJAF COC(=O)c1ccc(COc2ccc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2)o1 963097959 OLODOHQNQBKRCB-CYFREDJKSA-N 421.468 4.894 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@H]2c1cc(Cl)ccc1OCc1ccccc1F 963133786 SPMXYIHZVKSJBH-QFIPXVFZSA-N 411.860 4.991 0 1 HJAF COc1cc(-c2sc(Cc3cccc(C(F)(F)F)c3)nc2C)ccc1C(N)=O 1772583874 QJOFBCZVPONOBY-UHFFFAOYSA-N 406.429 4.836 0 1 HJAF CCc1n[nH]c(=Nc2ccc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)nc2)o1 1857592346 USBPNDBNDAUXMH-WKILWMFISA-N 406.486 4.608 0 1 HJAF CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857647777 FLDVRJHGMUOJHQ-OAHLLOKOSA-N 407.898 4.642 0 1 HJAF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 2356464929 GGAGAVWBROLYIO-PGRDOPGGSA-N 401.547 4.702 0 1 HJAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)on1 61905205 NNLJMNVGAFXDLV-HXUWFJFHSA-N 405.454 4.791 0 3 HJAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 2489455 AQNJZLTYTADRSD-CTNGQTDRSA-N 400.563 4.512 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1F 26965307 NMPUFHPNLBRJGC-DWPRXLCISA-N 410.533 4.678 0 1 HJAF O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)O)ccc1O 35323174 LTJZINXKULUVGF-UHFFFAOYSA-N 421.493 4.576 0 1 HJAF C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12 40380503 AEPJQKVEJDKGIZ-RTBHCFDSSA-N 408.538 4.657 0 1 HJAF Cc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1 84602719 HTPIPWUANWBTNQ-UHFFFAOYSA-N 419.529 4.585 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84706875 CPMQCYVAAOTGPW-UHFFFAOYSA-N 405.885 4.785 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccccc45)ccc31)[C@H]1CC[C@@H](C2)N1 96175153 NWHVHIGJPJTYST-OXJNMPFZSA-N 402.519 4.514 0 1 HJAF Cc1cccc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl 103289817 NITAWCGWVYAQAJ-UHFFFAOYSA-N 405.683 4.552 0 1 HJAF CC1=Nc2ncnn2[C@@H](c2ccc(OC(F)F)cc2)/C1=C(\O)OC1CCCCC1 103531348 OBHQPTNKYNBUPL-HVESIFNPSA-N 404.417 4.694 0 1 HJAF Cc1cc(N[C@H](CC(C)C)C(=O)NCc2cccc(F)c2)nc(Nc2ccccc2)n1 206774108 DLLMDJPNZQFNEX-OAQYLSRUSA-N 421.520 4.811 0 1 HJAF Cc1cn(Cc2ccc(O)c(Cc3ccccc3)c2)c2ccc(OCC(=O)O)cc12 299856541 JPWASSPFVOQUGD-UHFFFAOYSA-N 401.462 4.758 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586962717 YQTVLQQQIWHJIQ-KKXDTOCCSA-N 417.481 4.536 0 1 HJAF Brc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2n1 587016544 CBWPXIOXLYPCQA-UHFFFAOYSA-N 423.299 5.136 0 1 HJAF Clc1nc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)ccc1-c1ccccc1 587083850 OUTYSPLIWCKMHF-UHFFFAOYSA-N 404.901 4.778 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H]5C(F)(F)F)[nH]c4c3)o2)cc1 587092183 BCTRHDNMQMIIQT-KBPBESRZSA-N 400.360 4.954 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1O 587355411 XQOGIFQWOOUNCZ-XUZZJYLKSA-N 424.424 4.528 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421275 KJDQSASVOBFOQW-SZNDQCEHSA-N 421.276 4.598 0 1 HJAF O=C1C[C@@H](c2cc(O)ccc2I)Oc2c1ccc1c2CCCC1 587509048 XDHRDRSNYFZXIK-SFHVURJKSA-N 420.246 4.582 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586867 KTAANORFDFXVMZ-XUZZJYLKSA-N 410.429 4.861 0 1 HJAF C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651594 BJPOYHJYZAIVET-HNNXBMFYSA-N 404.853 4.825 0 1 HJAF Cc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676813 FWNLPTJPWKFVMI-VPTHRUTESA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccn2)N1 587679968 NFHZJKDHFUZRBO-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF COC(OC)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587731341 ZBARNIWQZRXBBN-MLCYQJTMSA-N 412.274 4.642 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3ccccc3)CC2)N1 587821103 GQZSWZFMENUIDM-YJPTXTSQSA-N 404.323 4.780 0 1 HJAF COc1cccc(CC[C@]2(c3ccc(F)cc3)NCCc3c2c(C(C)C)nn3C)c1 962924858 XBQWSDVDSTXENJ-RUZDIDTESA-N 407.533 4.713 0 1 HJAF Cc1c(F)cccc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187370 DNCBIUMHHTYZLI-KSSFIOAISA-N 401.787 4.669 0 1 HJAF Cc1cc(-c2cccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)c2)ccc1O 963235827 VSPMEWUTEWKJFF-NOZRDPDXSA-N 410.473 4.604 0 1 HJAF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@@H]21)C(=O)O[C@@H]4C[C@]3(C)O 2356644058 QQIDJUCXUQXXFU-JCOMBBHZSA-N 402.575 4.549 0 1 HJAF CC(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61925709 OCUHUOANBBHAOT-MHZLTWQESA-N 414.549 4.813 0 3 HJAF COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(CC3CCCCC3)n2c1 72136510 NYTCHNRKANNPCI-UHFFFAOYSA-N 408.498 4.928 0 3 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 772120 ORAPIMIRGJILJP-FPOVZHCZSA-N 412.848 4.523 0 1 HJAF C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@@H]3C=C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 17654137 IFAGKOAMVIWQMA-NQKOMLHRSA-N 401.635 4.531 0 1 HJAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C)NC23CCC(C)CC3)c2ncccc2c1 29129074 WSZOTGKUQAMVMU-UDJCVHACSA-N 424.589 4.551 0 1 HJAF CC(=O)N[C@@H](CSC/C=C(\C)CCCCOc1ccc2ccccc2c1)C(=O)O 72116395 LMMVACSPRFQNCJ-PFSBYRDKSA-N 415.555 4.658 0 1 HJAF CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178725 XJWFDEPVOHQMPT-IBGZPJMESA-N 406.578 4.511 0 1 HJAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCc1ccccn1 82188744 GLSQTBVLSHXQKX-GOSISDBHSA-N 400.530 4.632 0 1 HJAF CCOc1ccc(Nc2nc(/C=C(\C)NC3CC(C)(C)NC(C)(C)C3)ns2)cc1 103946869 UYTKIGXNKIMVAR-NTCAYCPXSA-N 415.607 4.940 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc([C@H](O)c4ccc(Cl)cc4Cl)cc3)nc2c1 116022978 XCHZQJNZYMVJOD-IBGZPJMESA-N 412.276 4.717 0 1 HJAF COc1ccc2c(c1)NC1(CCN(C(=O)c3cccc4ncccc34)CC1)c1cccn1-2 165610326 RWVKDRBREBZCMS-UHFFFAOYSA-N 424.504 4.591 0 1 HJAF O=S(=O)(Nc1nc2c(C3=CC=NCC3)cccc2o1)c1cc(Cl)ccc1Cl 169719316 YSFUNDKXZMFQFA-UHFFFAOYSA-N 422.293 4.793 0 1 HJAF CSc1nn2cc(-c3cc4ccc(C(=O)NCc5ccccc5)cc4o3)nc2s1 205922439 XQDLIDIUOCKRGM-UHFFFAOYSA-N 420.519 4.856 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C 238759868 CSSGXDLJYUSHNP-RKAFHDNISA-N 416.558 4.748 0 1 HJAF CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OC(C)=O 238768579 MEYMLQXJGDOBCS-KSYFGCDNSA-N 420.546 4.680 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3ccccc3F)CC[C@H]12 253636644 NMPUFHPNLBRJGC-HIJQPWIUSA-N 410.533 4.678 0 1 HJAF Oc1ccccc1[C@@H]1CN2CCC[C@H]2c2cc(OCCCN3CCCCC3)ccc21 253660089 MWVCQJIYVWMESH-RPBOFIJWSA-N 406.570 4.929 0 1 HJAF COc1ccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 253683649 QFZSCPSGXHGLGJ-BLIXFSHQSA-N 422.352 4.876 0 1 HJAF COc1ccc(C=O)c2cc(-c3nc4ncc(Br)c(Cl)c4[nH]3)oc12 586904577 XRDOYDLGIPRBCC-UHFFFAOYSA-N 406.623 4.608 0 1 HJAF O[C@H]1C[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21 586904981 WYCZDDIOEBXGDQ-BMIGLBTASA-N 408.093 4.657 0 1 HJAF c1ccc(Cn2c(SCc3nc4cnc5ccccc5c4[nH]3)nnc2C2CC2)cc1 586966684 QCZUDUNDPTUZCA-UHFFFAOYSA-N 412.522 4.921 0 1 HJAF CN(C)C(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587068000 VTICVENUYIWKJH-UHFFFAOYSA-N 405.885 4.744 0 1 HJAF Cc1nccc2[nH]c(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc12 587171703 UUDAKWVQRMKLSH-UHFFFAOYSA-N 416.865 4.527 0 1 HJAF Cn1ncc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c21 587341594 JYEVHIIPCLTCJO-XUZZJYLKSA-N 402.425 4.692 0 1 HJAF C[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353291 YQVPGQNGRDPRDL-ILBGXUMGSA-N 417.436 4.690 0 1 HJAF Cc1csc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587373258 IBLUGTUPQQQRBW-HXUWFJFHSA-N 424.497 4.694 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)[C@@H](C2)C3=O 587449150 FGFHDDMGWUPULH-HZMBPMFUSA-N 422.890 4.641 0 1 HJAF COCOc1ccccc1[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587516050 UESQXHNGIQWAOA-SANMLTNESA-N 415.489 4.852 0 1 HJAF Cc1ccc(/C(=C/N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574831 ZATJCJOXHXSXEF-JQEHZMNDSA-N 401.462 4.634 0 1 HJAF Cc1cnc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615085 VNDMZQOMMAWPGG-GHTZIAJQSA-N 404.447 4.651 0 1 HJAF Cc1sc2ncnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2c1C 587656068 ADUCJNQIUUWXCK-UHFFFAOYSA-N 420.444 4.952 0 1 HJAF Cc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587772688 GBJNWRNXXLINJE-ZUOKHONESA-N 412.306 4.977 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587790577 IOXTZRSWJAFBGQ-DQPNGWRMSA-N 411.315 4.639 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(Br)cc4[nH]1)(C3)C2 587950516 RPICRZZITJQIDI-LWYUSKRHSA-N 403.320 4.787 0 1 HJAF COc1cc2c(cc1OC)[C@](c1cccc(F)c1)(c1ncccc1C)N(C)[C@H](C)C2 962628341 LUWFZBBPNOZNAV-CRICUBBOSA-N 406.501 4.715 0 1 HJAF CN1C(=O)C[C@H]2CN[C@H](c3cc(Cl)cc(Cl)c3OC(F)F)c3cccc1c32 963022219 IGDQXIDEIARSOC-XYZCENFISA-N 413.251 4.738 0 1 HJAF COc1cccc(-c2nc(O)c3c4c(sc3n2)CN(Cc2ccccc2)CC4)c1 1772571047 WZQCGXDCZUHNJC-UHFFFAOYSA-N 403.507 4.631 0 1 HJAF COc1cc(N(CC2(C)CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@H]1C[C@H]1C(=O)O 1772597038 AANFOUCBNMVANI-DLBZAZTESA-N 414.889 4.585 0 1 HJAF Brc1ccccc1Cn1cc(CSc2nc3ccccc3s2)nn1 1857557257 DECGVTLSDZTHKW-UHFFFAOYSA-N 417.357 4.991 0 1 HJAF CC1=CCc2c(O)c(Cl)c(C)c(c2O)[C@H](O)[C@H]2C(=O)C(C)(C)O[C@H]2C(C)=CCC1 2356708364 MWJBWRVMTRFETC-CZAAIQMYSA-N 420.933 4.685 0 1 HJAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1 8666530 YMFZIYLIRUNWMX-OAHLLOKOSA-N 417.214 4.822 0 3 HJAF CCc1ccc(NC(=S)Nc2cc(OC)c(NC(=O)C(C)C)cc2OC)cc1 13555981 QZSFBZAWKJGUCG-UHFFFAOYSA-N 401.532 4.670 0 3 HJAF C/C=C1\CO[C@](C(=O)NCc2ccncc2)(C(F)(F)F)C=C1C=C1CCCCC1 13828961 LHQVHFHEUOFPRY-FXNUXSGLSA-N 406.448 4.792 0 3 HJAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC2CCCCC2)c(OC)c1 777189 PNGSZDQYDJOOJS-UHFFFAOYSA-N 400.519 4.966 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214110 DDDZTNYHZSHMGG-SWUCNREESA-N 416.562 4.519 0 1 HJAF CC(=O)c1ccc(Cl)cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579685 MURGRPALOSRXPQ-LJQANCHMSA-N 408.325 4.866 0 1 HJAF CCCCN(CC)c1ncnc2c1nnn2-c1ccc(C(C)C)cc1Br 13794710 GCLLAKWIGDUDSS-UHFFFAOYSA-N 417.355 4.723 0 1 HJAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1 26269552 QGEFHEBBJFXWMU-IRXDYDNUSA-N 415.574 4.861 0 1 HJAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)CC3=CCCCC3)C(C)C)n2)oc1C 28563621 SCSLKYHOVMNGBL-KRWDZBQOSA-N 417.531 4.597 0 1 HJAF COc1cccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)o2)c1 28951939 ZILKMPWHSFISEK-KRWDZBQOSA-N 407.466 4.785 0 1 HJAF COc1ccc(OCCCCCCN2CCN(c3ccncc3)C2=O)c(Cl)c1 29395386 RHIGKUODQJBOFU-UHFFFAOYSA-N 403.910 4.625 0 1 HJAF CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1 48999691 FSTAEEBGFXLBHL-UHFFFAOYSA-N 403.548 4.752 0 1 HJAF CCCCCC[C@H](C[C@H]1OCO[C@H]1CCCCCCCC(=O)OC)OC(C)=O 66252631 YCBXTQVGRHXKBE-QHAWAJNXSA-N 400.556 4.924 0 1 HJAF CCCC[C@@H](CC)CNc1nc(N2CCSCC2)nc2cc(OC)c(OC)cc12 82127480 MIASDDVIPKWVGB-MRXNPFEDSA-N 418.607 4.829 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CCc2ccccn2)cc1 82179408 XGWAAYZRZKQKFT-UHFFFAOYSA-N 414.557 4.973 0 1 HJAF Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3nccc4ccccc34)ccc12 95574558 WMTLHEDQXGFQSL-UHFFFAOYSA-N 403.434 4.554 0 1 HJAF C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1 143365625 BMZDMDPHVKAUFS-UTKZUKDTSA-N 417.868 4.598 0 1 HJAF Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C3CC3)c2C)n1 147025913 FUJSDKOSQFVQFZ-UHFFFAOYSA-N 403.529 4.655 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cccc(C)c1C 203331676 AXJMRGUFNQWQTF-NRFANRHFSA-N 418.493 4.628 0 1 HJAF COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1[C@]21N=C(N)c2ccccc21 204984358 ADFKLDIQJGXISH-HKNHYEJBSA-N 402.538 4.569 0 1 HJAF CC(=O)O[C@@H]1/C=C(\C)C[C@H](OC(C)=O)[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)/C=C/[C@@H](C)C1 238754527 OGZZCBZNOLKSNJ-OYUIFPPRSA-N 406.563 4.586 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299880414 MGAOUKFKTFGKOJ-FJTGNWTPSA-N 418.578 4.622 0 1 HJAF O=C1CCC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 586887982 VSTUAQKTXKKXQR-CYBMUJFWSA-N 417.918 4.634 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586970559 MJEGQGVIUAUSJS-UHFFFAOYSA-N 411.424 4.944 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587126973 PPCFETRIASTCSJ-PRHODGIISA-N 414.229 4.805 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)cn1)O2 587374537 YTAIZPGMZYSFQN-OAQYLSRUSA-N 409.283 4.644 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc3c(c1)OCO3)O2 587408240 LDWURGGDQPVUCH-JOCHJYFZSA-N 403.434 4.591 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587475186 JWNHXQKMAZLTRA-WMZHIEFXSA-N 403.519 4.858 0 1 HJAF COc1ccc(Cl)cc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500720 NPULCPBPMSEGER-QHCPKHFHSA-N 413.901 4.980 0 1 HJAF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587567874 AKUNIQYNULJDRA-DHLKQENFSA-N 419.477 4.950 0 1 HJAF Cc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1C 587578843 BHURDHIPOLXZKW-DHLKQENFSA-N 412.445 4.898 0 1 HJAF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12)c1ccccc1C 587630546 KXMWRLMUSTYTJA-UHFFFAOYSA-N 400.837 4.730 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1Cl 587692836 LUTBZGPEPGHAGV-YYSFKGJASA-N 414.702 4.882 0 1 HJAF COC[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587723578 BPTNAPMHVWAWIJ-MGNBDDOMSA-N 416.693 4.805 0 1 HJAF COCCC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587729526 HGZAPMPWBXZTMK-RBZFPXEDSA-N 410.302 4.932 0 1 HJAF Cc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587769789 QFUJYLQJVBOSGD-HNNXBMFYSA-N 403.339 4.927 0 1 HJAF CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798503 ORBIMRFDELUFRV-FKIZINRSSA-N 406.295 4.563 0 1 HJAF COc1cc(/C=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810892 YHRIZMRGGQBWMH-PJDUKJKNSA-N 406.295 4.765 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(F)c1 587865364 WURXFYYAWJPRDA-UHFFFAOYSA-N 408.351 4.826 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)c(Br)c1 587869284 FXMGWXNTURVEEZ-UHFFFAOYSA-N 403.251 4.847 0 1 HJAF Cc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n2nc(-c3ccccc3)cc2n1 621443143 FSTMEXOJLPOODE-GOSISDBHSA-N 407.518 4.516 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)NC2(CC2)Cc2ccc(Br)cc21 961314970 BFBHEZFCRAZIGN-JOCHJYFZSA-N 414.343 4.714 0 1 HJAF Cc1c(Br)cncc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962691636 AEYZQTJQJAFJGF-ORAYPTAESA-N 407.352 4.745 0 1 HJAF COc1ccc2c(c1)[C@H](c1coc3cc(Br)ccc3c1=O)N[C@@H]1CC[C@H]21 962994608 KZMLHESSVCPEAD-LXGCGDOSSA-N 412.283 4.503 0 1 HJAF O=C(O)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=O)O)cc5o4)cc3)oc2c1 754320 MSINRDAMZKCFRD-UHFFFAOYSA-N 400.346 4.699 0 1 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@H]1c1cn(C)c2ccccc12 2468652 HBJQZHPATJTLKS-BJKOFHAPSA-N 415.537 4.538 0 1 HJAF CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 3819750 FISUSZKGPGNBNT-UHFFFAOYSA-N 406.526 4.756 0 1 HJAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1cccc(C(=O)O)c1 13831901 DAPKROPFPAZVMT-LDADJPATSA-N 424.522 4.744 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)Sc4ccccn4)[C@@H]3CC[C@@H]12 26396382 IVMOGXVDSLYJFW-ZGVHOLADSA-N 424.610 4.956 0 1 HJAF CN1C(=O)[C@H](Cc2cn(C)c3ccccc23)N=C(c2ccccc2F)c2ccccc21 28236049 WJEIRFDFZCCLMQ-QFIPXVFZSA-N 411.480 4.743 0 1 HJAF CCN(CCCCOC(=O)c1ccc(OC)cc1)[C@H]1CCc2cc(OC)ccc2C1 28767259 JTENYCOBMBGYHV-QFIPXVFZSA-N 411.542 4.520 0 1 HJAF O=C(NC[C@H]1CCCc2[nH]c3ccc(O)cc3c21)c1ccc(OC(F)(F)F)cc1 29040703 CGQVNMMQSUKPNN-CYBMUJFWSA-N 404.388 4.622 0 1 HJAF COc1cc(OC)c2c(C)nc(CO)cc2c1-c1c(C)cc(O)c2c(OC)cccc12 40845289 YRSLCDDBISVEDI-UHFFFAOYSA-N 419.477 4.896 0 1 HJAF biogenic Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(F)c(F)c3F)nn2)c1 45497942 OQLUDFFRJICJRU-UHFFFAOYSA-N 423.373 4.889 0 1 HJAF N[C@H](CNc1ncc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1 49035431 JEJKZRXWJBUNLT-INIZCTEOSA-N 417.460 4.687 0 1 HJAF CCCN(CCC)c1cc(N(COC)c2ccc(OC)cc2Cl)nc2ccnn12 72141487 BHKGCOKSBGNTIE-UHFFFAOYSA-N 417.941 4.760 0 1 HJAF Cc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)c(N)c3cc(F)ccc3c2s1 84757421 NLCSZQCMYIZUEN-UHFFFAOYSA-N 406.891 4.965 0 1 HJAF O=C(COc1ccc(Cl)cc1)NCC(=S)NCc1ccc(-c2ccccc2)cc1 96285241 ZASIUPGGDYDRDF-UHFFFAOYSA-N 424.953 4.619 0 1 HJAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@H](O)[C@@H](O)[C@H](O)C3)CCC[C@@]21C 101973859 CAGYDFRJDSWOLS-XAEUVMPPSA-N 420.634 4.509 0 1 HJAF CC(C)(C)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 114960586 OUIDVLCUIQUHMZ-UHFFFAOYSA-N 423.460 4.503 0 1 HJAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 118853876 IYPSSJCRWHANLL-XMSQKQJNSA-N 402.542 4.792 0 1 HJAF FC(F)(F)[C@H](Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(Br)cn1 149919851 HWEROTVBSIYPHR-MLGOLLRUSA-N 400.242 4.637 0 1 HJAF O=C(NC[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1c(F)cccc1Cl 207684918 JKVUCJDDKNGCOP-NSHDSACASA-N 401.791 4.602 0 1 HJAF C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255238606 MWBJDDYEYGDWCZ-LZCHMAFYSA-N 413.646 4.771 0 1 HJAF O=C(Nc1ccc(-c2nc3cc(O)ccc3[nH]2)cc1)c1ccc(Br)cc1 586984838 VHHSTRJRBVESKS-UHFFFAOYSA-N 408.255 4.950 0 1 HJAF C[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587154107 CVTQFLGZPGURLV-KRWDZBQOSA-N 408.658 4.909 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587198589 MJNQZXRMVNJUOZ-UHFFFAOYSA-N 412.280 4.791 0 1 HJAF CCCOc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Br 587233723 BCTJOOOFKBCUAN-UHFFFAOYSA-N 408.340 4.656 0 1 HJAF CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCC1 587346660 JXSSIINWFAXFIZ-REWPJTCUSA-N 412.457 4.772 0 1 HJAF COc1cccc(-c2cc(C3=C(C)N=C4N=CNN4[C@H]3C)nc3c2oc2ccccc23)c1 587363256 QKQYWOYOYRGUID-HNNXBMFYSA-N 423.476 4.994 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(OCC4CC4)c1)[C@@H](C2)C3=O 587421528 LOORDGBISUOCKG-BTYIYWSLSA-N 402.393 4.574 0 1 HJAF O=C1C[C@@H](c2c(Br)ccc3c2OCO3)Oc2c1ccc1c2CCCC1 587495539 CUFVAAVOGVNVDF-KRWDZBQOSA-N 401.256 4.763 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2Cl)c1 587547186 LCOCCJIFBDSHQQ-NFBKMPQASA-N 418.836 4.934 0 1 HJAF Cc1cc(C(F)(F)F)ncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552735 BXBLREFFGFYNHK-WIYYLYMNSA-N 415.367 4.991 0 1 HJAF C[C@@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553819 WEIBQJIOFLRZNK-PXNSSMCTSA-N 402.233 4.971 0 1 HJAF CN(C)C(=O)Sc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609862 AJPXINNGYXNZFQ-UGKGYDQZSA-N 421.474 4.869 0 1 HJAF O=C(c1cc(F)c(F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659116 XWVYNPLHOQNQIA-UHFFFAOYSA-N 414.770 4.823 0 1 HJAF Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587660072 NDIBBCAGPPMQET-UHFFFAOYSA-N 402.425 4.539 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccn2)N1 587676015 BJDRYFDOVUDHJH-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)cc2F)N1 587721766 XHUHCDQKRUEJFI-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc(F)c(F)c2)N1 587724010 DIOKABGSTOGNRY-XTZNXHDOSA-N 400.238 4.695 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725728 RUOGZUAIQDLFLS-MPBGBICISA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1 587732024 MOVGGZGBHITMPQ-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(/N)c2ccco2)(C(C)(C)C)N1 587749371 OREHOXGRYQBDFM-FYVYZJCNSA-N 407.327 4.957 0 1 HJAF COc1ccccc1-c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587791030 DZMGIVNGNNBIAL-YBTHPKLGSA-N 417.278 4.875 0 1 HJAF Cc1cc(OCn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)ccc1Cl 587874040 OVRYDUJQCKTPDI-UHFFFAOYSA-N 424.819 4.678 0 1 HJAF COc1ccccc1CC(=O)c1nc2cc(Br)c(OC(C)C)cc2[nH]1 587929164 GMIGHNYRZQDOCG-UHFFFAOYSA-N 403.276 4.547 0 1 HJAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccc(Cl)cc4)c3O)c2)n1 587937111 HYDSICKOBBCKKG-UHFFFAOYSA-N 406.825 4.969 0 1 HJAF CCn1cc(Cl)c([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n1 961784329 MRSHHCPVUZSFHQ-FQEVSTJZSA-N 416.953 4.797 0 1 HJAF Nc1cccc(C2(c3cccc(N)c3)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962711954 QDNWJWKZMICUSE-OAQYLSRUSA-N 419.569 4.646 0 1 HJAF Oc1ccc2c(c1)[C@](c1cc(F)cc(Cl)c1)(c1ccccc1CN1CCC1)NCC2 963339709 AVAWTPXVYBDIED-VWLOTQADSA-N 422.931 4.828 0 1 HJAF C[C@@H]1Cc2c(ccc3n[nH]cc23)[C@@H](c2ccc(/C=C/C(=O)O)cc2)N1CC(C)(C)F 1857576816 OEYMFWZLIZCCJF-BICNDEOQSA-N 407.489 4.745 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 1857751153 NEMWYOKGHGSVSC-CQNVZCOISA-N 415.662 4.563 0 1 HJAF COCc1cccc(-c2ccc3c(c2)N(Cc2cccc(OC)c2)C(=O)COC3)c1 205210304 GPAJUCRMWHJBEP-UHFFFAOYSA-N 403.478 4.572 0 3 HJAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 767661 YOUSNCOWHLILND-UKILVPOCSA-N 413.521 4.800 0 1 HJAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 776848 WJFWXVLQZHSVSZ-UHFFFAOYSA-N 420.843 4.689 0 1 HJAF CCN(Cc1ccccc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 835060 BGEAJJAWRXRQLO-UHFFFAOYSA-N 412.555 4.506 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Br)cc4)cc3)nc2c1 3815903 PKRDORNUEFSJAI-UHFFFAOYSA-N 408.255 4.884 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 3931532 ZCFDNOOYINVEBV-OSADXMDESA-N 414.549 4.575 0 1 HJAF O[C@@](Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(C(F)(F)F)cc1 13892874 WPTRTKHRBVAGNS-QFIPXVFZSA-N 409.411 4.900 0 1 HJAF Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26949854 UGSQUXYEAXCLHB-PSLCMBNISA-N 406.570 4.847 0 1 HJAF O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCn1cc2c2ccccc21 28529040 BKZUJCTXGYSLBN-UHFFFAOYSA-N 409.489 4.737 0 1 HJAF CCCN(C)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1 40847712 UZTVZGCDXDFBLL-UHFFFAOYSA-N 405.542 4.918 0 1 HJAF Cn1nc(-c2cccc(CNCc3ccccc3)c2)c2cnc(NC3CCCC3)nc21 45167688 HXESKVRHVMTNKA-UHFFFAOYSA-N 412.541 4.675 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CSC[C@@H]2COc3ccccc3O2)cc1 49802772 XCXCGOUCZDVRNX-SFHVURJKSA-N 406.507 4.594 0 1 HJAF CCS(=O)(=O)CCC12CCC(c3nnc(-c4ccccc4Cl)n3C)(CC1)CC2 71319326 UEVJSVSXEAWSIN-UHFFFAOYSA-N 421.994 4.552 0 1 HJAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82188710 CNVZMCFLYWWKLS-UYAOXDASSA-N 406.578 4.650 0 1 HJAF O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@H]21 95878450 MSZBCWXCLRULJJ-ZTCOLXNVSA-N 406.501 4.773 0 1 HJAF O=C1Nc2cc(Cl)ccc2/C1=C\NCCCNc1ccnc2cc(Cl)ccc12 102814233 RSDNGBKVWWZCMV-SFQUDFHCSA-N 413.308 4.926 0 1 HJAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc2c3c(oc2c1)C[C@H]1CC[C@H]3N1 143516522 YINBNAOCYMERQH-MLGOLLRUSA-N 407.413 4.634 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@H](O3)[C@@H]2[C@H]1C(C)C 238740377 OKHREEBDBYKLKA-CLFOWYEOSA-N 404.547 4.602 0 1 HJAF COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4F)n3)c(=O)oc12 261180460 VYNTVLAMNASZGV-UHFFFAOYSA-N 411.414 4.708 0 1 HJAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCC(=O)[C@@]4(C)OC(C)=O)[C@@H]3CC[C@@H]2C1 503958257 VQRXERHIFBGNDD-PNKIWBLGSA-N 418.574 4.852 0 1 HJAF biogenic COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cccc(C)c3[nH]1)C(=O)OC2 586915254 KDFNGPNGTYBMCL-MDWZMJQESA-N 406.482 4.686 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)c1ccc(Br)cc1 586985846 SLUREJRJAGVZLT-SFHVURJKSA-N 408.299 4.899 0 1 HJAF Clc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cn1 587022233 WGJNSDGFFIOCFT-UHFFFAOYSA-N 404.886 5.540 0 1 HJAF Cc1c(-c2nc3c(C)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029867 USMVGYUCNYIRGT-UHFFFAOYSA-N 415.316 4.784 0 1 HJAF COC(OC)(c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398536 FANPBCAZCPJDFK-XMMPIXPASA-N 403.478 4.584 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C(Br)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587419698 XUZGIFAGURRDII-ORAYPTAESA-N 419.658 4.620 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2ccc(F)cc21 587470733 HPGJWUSYJANUEV-HXUWFJFHSA-N 419.246 4.973 0 1 HJAF CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504467 KDFQIUMGZLYJOJ-HSZRJFAPSA-N 418.411 4.797 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1Cl 587541907 GSTYFELJRIBOPI-UTKZUKDTSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2cccc(Cl)c12 587552175 OCCQUAYRCNRVGH-RXVVDRJESA-N 407.809 4.935 0 1 HJAF C[C@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554042 CKWGQOZKUWNWSN-ZJSXRUAMSA-N 416.408 4.594 0 1 HJAF CCc1nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587588646 UHUJNAYDSPYBBL-YKSBVNFPSA-N 401.418 4.973 0 1 HJAF Cc1ccn2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc2c1 587589026 SXKOBAOAVGTWSE-GBXCKJPGSA-N 400.434 4.534 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccn1 587590521 YTKSCMYMAAURTK-OZXSUGGESA-N 409.441 4.887 0 1 HJAF CCOc1cc(OC)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594394 HGIDEQMAIXASFG-XUZZJYLKSA-N 406.434 4.677 0 1 HJAF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1-n1nnn(-c2ccccc2Cl)c1=O 587629208 YNKNZYGFFOHIPX-UHFFFAOYSA-N 420.275 4.643 0 1 HJAF Cc1ccc([C@@]2(c3occc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587744615 HSRWBMKEZGYVEA-LRTDBIEQSA-N 415.306 4.898 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)no2)N1 587794539 MZRSEZQAGCBCPQ-YUNKPMOVSA-N 417.278 4.779 0 1 HJAF COc1ccc(-c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587797755 SQDUYLMNADPMPU-PRWKNARSSA-N 417.278 4.875 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2ccccc12 587869518 LMTNNRWIWREJHD-UHFFFAOYSA-N 403.385 4.876 0 1 HJAF COc1ccc(C)cc1NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869962 WKECPWPZZMOZNQ-UHFFFAOYSA-N 422.432 4.535 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1c[nH]c2nccc-2c1 961782592 YPKAQYHDLWAYMF-NRFANRHFSA-N 404.514 4.755 0 1 HJAF COc1ccc(Cn2cccc2[C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)cc1 962640067 YSGZYLGDVMQHRY-SSOJOUAXSA-N 406.526 4.528 0 1 HJAF COc1ccc(OC)c([C@@]2(c3ncco3)NCCc3cccc(-c4ccccc4)c32)c1 962656593 BITDYSONVSZMFN-AREMUKBSSA-N 412.489 4.796 0 1 HJAF CCC[C@]1([C@@H](CC2CC2)C(=O)OCC)c2cccc(Br)c2CCN1C 963281206 QIGSXANZHQXXNA-GHTZIAJQSA-N 408.380 4.912 0 1 HJAF COc1cc(Cc2cc(F)cc(F)c2)c(-c2ccc(S(C)(=O)=O)cc2)cc1OC 13530515 WLGBEOXJQPTGPA-UHFFFAOYSA-N 418.461 4.643 0 1 HJAF CC(C)n1nc(C(=O)NC2CCN(CCCCc3ccccc3)CC2)c2ccccc21 13779609 AHRROTRASDKRNS-UHFFFAOYSA-N 418.585 4.834 0 1 HJAF C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1 14951989 DHZMJXAYZVBSIS-INIZCTEOSA-N 417.534 4.752 0 1 HJAF C(=C/c1cccnc1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22938608 YSAFNOWLHUYIBH-CSKARUKUSA-N 413.565 4.519 0 1 HJAF CCCCCCOc1c(OC)cc(C(=O)Oc2cccc3ccc[n+](C)c23)cc1OC 26186004 YZRPDVYRYVIHBA-UHFFFAOYSA-N 424.517 4.860 0 1 HJAF COc1ccc(-n2cc3c(n2)c(NC(=O)Cc2ccccc2)nc2ccccc23)cc1 28710901 YYTTWBPSCWWTLX-UHFFFAOYSA-N 408.461 4.764 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(c1ccno1)(C3)C2 29126168 PLQQJMFGNKDHGI-NDEWWWAJSA-N 414.933 4.748 0 1 HJAF CC[C@@H](C)C[C@@H](C(=O)N/C=C\c1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 29415546 WLLVVSXRRHFJGE-QKBCOEAASA-N 405.542 4.897 0 1 HJAF Cc1ccccc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F 34633687 ZREYWBOITVVPOZ-QFIPXVFZSA-N 403.444 4.971 0 1 HJAF Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 36189196 OEHMLOUHECZJOD-ABJSHLNNSA-N 406.570 4.847 0 1 HJAF C[C@@H](NC(=S)CCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 36486317 DQRHVQKRVOPHBZ-MRXNPFEDSA-N 418.628 4.966 0 1 HJAF COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccccc2F)c2ccc(F)cc2)n1 36761641 RKPATYXRNQVTNG-AWEZNQCLSA-N 413.428 4.572 0 1 HJAF O=C1Nc2ccccc2C(=O)[C@@H]2C[C@@H](c3ccc(Cl)cc3)[C@](O)(c3ccccc3)[C@@H]12 40810844 QWPQBGWFZSCGDN-BVVSVSJTSA-N 417.892 4.783 0 1 HJAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](COC(C)=O)[C@H]4O 40895107 KGUKPIIGDSGPQO-JSRUGDOASA-N 420.590 4.503 0 1 HJAF CC(C)CNc1c2c(nc3cnn(-c4c5c(nc6cn[nH]c46)CCCC5)c13)CCCC2 45228861 SWXFBOVNBNROSC-UHFFFAOYSA-N 415.545 4.517 0 1 HJAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)c3ccccc3)nc21 70719234 CATUEIYXQQMLSN-SFHVURJKSA-N 424.936 4.617 0 1 HJAF O=C(c1ccccc1)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103574 DUUOWWKRYAYWCH-HSZRJFAPSA-N 405.929 4.719 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1 82139266 INOXZDAACMQREY-UTKZUKDTSA-N 410.537 4.828 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@@H]1CCCN1C 82221783 DNPYRHUPXUYEFB-FQEVSTJZSA-N 420.605 4.820 0 1 HJAF C[C@H]1CN(c2ccc(NC(=O)c3cccs3)cc2)CCN1Cc1cccc(F)c1 96901675 MDFDAQSTSPAJAI-KRWDZBQOSA-N 409.530 4.850 0 1 HJAF O=C(OC/C=C/c1ccccc1)c1ccccc1NC(=S)c1ccc(O)cc1O 103194519 WYGBDAHBATXKPV-RMKNXTFCSA-N 405.475 4.756 0 1 HJAF O=c1cc(COc2cccc(I)c2)c2cc(Cl)ccc2o1 103264206 UOPSUKQKYCXZDC-UHFFFAOYSA-N 412.610 4.630 0 1 HJAF C[C@H]1/C=C\CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C/CC(=O)N[C@H]1c1ccccc1 169356406 NRHNQHSEKZNYCZ-LGJSNFAISA-N 402.538 4.880 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)[C@@H](N=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169713492 HDLLXPNGACHELV-RVJRYEMHSA-N 403.611 4.900 0 1 HJAF N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1 223686417 YKQOUBRABHEBJT-HNNXBMFYSA-N 422.579 4.642 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H]2CCCC[C@H]21 261084057 CFDRWKHPJHJISG-QHAWAJNXSA-N 402.332 4.534 0 1 HJAF in-vitro COc1ccc2c(C)c(CCc3nc4ccc5nc(C)ccc5c4[nH]3)c(=O)oc2c1C 586917583 DHGUCVBVBFYLEI-UHFFFAOYSA-N 413.477 4.937 0 1 HJAF Clc1cnc(Cl)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029017 FFKHHIJIQVBODC-UHFFFAOYSA-N 401.282 4.786 0 1 HJAF COc1ccccc1NC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104775 VYTZPDDFMFGRID-QHCPKHFHSA-N 423.428 4.901 0 1 HJAF Cc1c(Br)cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1C 587174069 FLMFBRSBNQTKRN-OAHLLOKOSA-N 401.283 4.805 0 1 HJAF CCOC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345033 DMYDHMXCVXQTSR-QUVATAORSA-N 412.457 4.772 0 1 HJAF CC[C@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348896 HSDJMMWNYUOBED-LADGPHEKSA-N 408.425 4.910 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 587376514 PLDWSZMFTAYJDB-XLIONFOSSA-N 418.829 4.585 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc4nsnc4c3)cc1)O2 587414133 KNIQXQGBLKVWJJ-QFIPXVFZSA-N 417.490 4.867 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc4cc(Br)ccc4s1)[C@@H](C2)C3=O 587453410 QKUGLFBBYYVDQW-APPDUMDISA-N 402.269 4.556 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1)CC2=O 587460411 GAQCXJKHLWPAJP-WLRWDXFRSA-N 404.846 4.557 0 1 HJAF CC(C)(C)OC(=O)N1CCC(F)([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587506143 MOTQUOIDKGCVJQ-IBGZPJMESA-N 403.494 4.638 0 1 HJAF CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522281 KPRCORPBJWNZGF-JTHBVZDNSA-N 408.494 4.992 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)cn1 587550879 CQXRBNWTCHPDNV-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF C[C@@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584044 YTGHDRCLPMSTCN-RDGATRHJSA-N 412.445 4.514 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCN(Cc1ccccc1)C2 587597012 TVRUUFHEZAVOHO-OZXSUGGESA-N 415.489 4.779 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1 587746177 YRGOMBARRWESQG-VOJFVSQTSA-N 420.326 4.591 0 1 HJAF CCC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837119 ZLUQRKQOHYALJU-YEJXKQKISA-N 420.322 4.937 0 1 HJAF COc1cc(OC)cc([C@@H]2[C@H](O)c3cc(OC)cc(OC)c3[C@@H]2c2ccccc2)c1 653727788 CSOKZZVRUVPVHH-GIFXNVAJSA-N 406.478 4.684 0 1 HJAF Cc1cc2c(cc1F)[C@](c1cccc(F)c1Br)(C(F)(F)F)NCC2 962142858 GKSMYVONOZPABV-MRXNPFEDSA-N 406.192 4.987 0 1 HJAF CC(=O)[C@H](c1ccccc1)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953743 KAWPIMDSYVALMZ-IRLDBZIGSA-N 417.471 4.945 0 1 HJAF CC=C(C)C(=O)OC[C@]1(C)CC[C@@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]31 2356617841 ULHQJKWCAOIZNP-MNVHNBMKSA-N 416.558 4.651 0 1 HJAF COC(=O)C=C(OC)[C@@H](C)[C@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)OC 2356669727 LRTJMINIVSPVMX-BBRMVZONSA-N 422.572 4.758 0 1 HJAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 774958 ZVCSOLJCBQANJK-PMACEKPBSA-N 424.472 4.580 0 1 HJAF Cc1cccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=O)c1 2156571 PJRTZJSMXWTWDQ-VWNXMTODSA-N 407.473 4.959 0 1 HJAF biogenic O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC1c2ccccc2-c2ccccc21 12190616 PYSGEEUILJHHPJ-VWLOTQADSA-N 416.546 4.606 0 1 HJAF CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474834 XVFUETUXJMLJLC-DEOSSOPVSA-N 420.509 4.891 0 1 HJAF Cc1coc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)n1 13809626 JEJQDIYQQSISMV-UHFFFAOYSA-N 409.467 4.723 0 1 HJAF CCOc1cc(CC(=O)N[C@H](CC)c2ccccc2N2CCCCC2)ccc1C(=O)O 27562530 DMSQLCXIZHIPHK-OAQYLSRUSA-N 424.541 4.584 0 1 HJAF CC(C)(Oc1ccccc1)[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242251 PTUXZXRJIRNUSY-SSKNPJSMSA-N 411.498 4.781 0 1 HJAF CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1cccnc1 38359532 RDTUIFFBAXBHLC-GOSISDBHSA-N 420.517 4.642 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Oc3ccc(F)c(Cl)c3)c1N(C)C2 40810759 XGBKFOGRMBLNRB-UHFFFAOYSA-N 417.824 4.821 0 1 HJAF O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)cc1)c1ccccc1 45169050 VLDDDYJTCIDWQC-UHFFFAOYSA-N 403.501 4.790 0 1 HJAF CC(C)=CCc1c([C@@H]2CCc3ccc(O)cc3O2)cc2c(c1O)OC(C)(C)[C@@H](O)C2 49181802 FEZVNZBNOAECEC-UNMCSNQZSA-N 410.510 4.747 0 1 HJAF CC[C@@H](C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21 95566169 UIFNDUZWXSVEMA-HXUWFJFHSA-N 418.585 4.692 0 1 HJAF O=C(NC(=S)Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 96937807 LXICPRRLAICBCA-UHFFFAOYSA-N 416.481 4.805 0 1 HJAF Cc1c(Cl)ccc2c(/C=C3\NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c[nH]c12 98207755 OEXMEVPQEPHTAQ-IDUWFGFVSA-N 401.800 4.501 0 1 HJAF in-vitro Oc1ccc([C@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 141618545 SVIAKBGHBKXSEH-FTJBHMTQSA-N 406.570 4.929 0 1 HJAF CC(C)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@]12CCCc1ccccc12 169708451 ZUIUWQIQNSLVIX-XAUNCYBDSA-N 416.609 4.911 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(Cl)c3[nH]2)c1 587048694 LRWARAMWDWNIDY-UHFFFAOYSA-N 420.300 4.575 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)nc(C)cc3[nH]2)c1 587050896 RZYCGSBGEPUNGW-HJWRWDBZSA-N 411.893 4.619 0 1 HJAF O=c1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587057084 NSXUDGCFBCOUBF-UHFFFAOYSA-N 423.662 4.934 0 1 HJAF CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)ccc1OC(F)F 587129715 FMKPHQZFZDNICP-POHAHGRESA-N 422.453 4.527 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCCN2)[C@@H]1c1ccc(F)cc1 587345656 JHSVBFGJCXJFRH-BFLUCZKCSA-N 417.480 4.928 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccccc4)c1)[C@@H](C2)C3=O 587441301 DLXBVODOXYOVRJ-DFBJGRDBSA-N 402.446 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4O)Oc4ccccc41)[C@@H](C2)C3=O 587456190 SKWPBVCTMRHSRD-QRJOEMBSSA-N 400.430 4.568 0 1 HJAF CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)CC1 587509634 VMOXSIZFVJRDOR-QHCPKHFHSA-N 410.945 4.677 0 1 HJAF C[C@@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547137 ZHNIPSWPTQEXCP-LPHOPBHVSA-N 401.212 4.625 0 1 HJAF C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595368 NHJAMRKPXYNUFR-LVJZWUNYSA-N 424.493 4.871 0 1 HJAF O=C1c2ccccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603277 LIPGABQYOZBYMZ-QHCPKHFHSA-N 420.420 4.842 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2Br)N1 587682560 ZSWVHCPOADKTPY-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF CCn1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587759528 UMLUCNKPMZYXON-ODXCJYRJSA-N 402.311 4.756 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc3c(c2)OCCO3)N1 587833609 GSIWKYOCUBYROZ-LRDDRELGSA-N 406.295 4.568 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1 587836300 ZSMUAFPRKHWBEP-WYRIXSBYSA-N 406.295 4.857 0 1 HJAF COc1cccc2c1OCC([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 587837166 ZWTXIYNFGWZONR-NSPYISDASA-N 404.279 4.648 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccn3)s2)N1 587852212 FELGNMCDEFFAPG-BMLIUANNSA-N 404.308 4.730 0 1 HJAF COc1ccc2c(c1)[C@]1(CCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587855474 GHKHFHVJQDNVKZ-WYRIXSBYSA-N 408.336 4.870 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2c1 587929392 IQAMRVFRZHBNQT-RNODOKPDSA-N 415.287 4.566 0 1 HJAF COc1ccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2C)c(OC)c1 587932659 XODVSWZDPKUMAC-UHFFFAOYSA-N 410.524 4.590 0 1 HJAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962700875 LFELNCVTKOATEY-ZSEKCTLFSA-N 414.477 4.597 0 1 HJAF O=Cc1cccn1C[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962710836 PDBCHHDFAPHHEJ-SQJMNOBHSA-N 420.553 4.747 0 1 HJAF Cc1sc2c(c1C)CCN[C@@]21c2ccccc2-c2nnc(-c3ccc(O)cc3)cc21 963021541 JPLCZMDSHXAZOY-RUZDIDTESA-N 411.530 4.946 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@]3(CCc4ccc(OCc5ccccc5)cc4C3)c3cccc1c32 963022704 HIQZCETYWYIZIA-SKCUWOTOSA-N 424.544 4.703 0 1 HJAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C[C@@]12c1c(F)cccc1C[C@H]1CCCN12 963095590 CVAJKNCVCMVUKC-GRNKHXMZSA-N 407.529 4.906 0 1 HJAF C[C@]1(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)cc2CCN1c1cccc(F)c1 1772614368 UMFRQAXNRHZJGG-FRHHVXPKSA-N 403.453 4.955 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@@H](CCC(C)=CCO)C(C)=CC[C@H]2C1(C)C 2356503878 XDZFMGQNHRGIKY-ACRRGDEPSA-N 404.591 4.963 0 1 HJAF Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4csc(C)n4)C3)c2)c1 12430585 MXDJYYWFHXDPMR-FQEVSTJZSA-N 419.550 4.918 0 3 HJAF CC[C@@]1(c2ccccc2)ON(c2c(Br)cccc2Br)C1=O 36387686 IDIBHZDYXUVINB-INIZCTEOSA-N 411.093 4.795 0 3 HJAF COC(=O)Cc1ccc(O[C@]2(C)CCN(Cc3ccc(-c4ccccn4)cc3)C2)cc1 61895597 APUXFZCGAFMSMN-AREMUKBSSA-N 416.521 4.508 0 3 HJAF CCCCC[C@@H]1OC(=O)[C@@]2(CC3c4ccccc4C2c2ccccc23)[C@H]1C(=O)OC 5973366 LUTKLNSELJYLCP-ISBFOORQSA-N 404.506 4.949 0 1 HJAF C[C@@H](c1ccccc1)N(C)C(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 28527380 NHAVDVYYCTYPAS-LBPRGKRZSA-N 417.296 4.802 0 1 HJAF CCC[C@@H](Nc1cncc(-c2ccc(OCCCO)c(OC)c2)n1)c1ccccc1 38359268 AHTPVELUEWDAKM-HXUWFJFHSA-N 407.514 4.867 0 1 HJAF Cc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1 45506459 YHRKPLXYJAETRW-UHFFFAOYSA-N 407.470 4.588 0 1 HJAF CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1 49048786 IVQNYSRYAHADJO-FQRUVTKNSA-N 420.553 4.763 0 1 HJAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O 66112068 WGSZYXOFBZFPTI-MJGOQNOKSA-N 414.292 4.773 0 1 HJAF CC(C)(C)OC(=O)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103544 HDEFXTSJRHDXCG-LJQANCHMSA-N 405.901 4.516 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 100350688 RYMZZMVNJRMUDD-YYOJMCGYSA-N 418.574 4.586 0 1 HJAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](Nc3ccccc3)[C@H]2C)OCO4)c1O 105521069 BEOMZXKHEQYFOO-PINLKFFASA-N 405.450 4.728 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccccc1OC(F)(F)F 167338307 HBVIEOAVGNJPNG-DZGCQCFKSA-N 409.404 4.712 0 1 HJAF CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(Cl)nc3)ccc2F)C1(F)F 169702900 ZHRCZUUYWIYZLZ-GOSISDBHSA-N 412.843 4.634 0 1 HJAF O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1cnccn1 219015620 KHRNCQQXGAKGCU-UHFFFAOYSA-N 422.655 4.908 0 1 HJAF COC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@@H](OC(=O)c2ccccc2)C1(C)C 219732660 ZCNGYPFWHGRPSJ-XUMWYHAOSA-N 408.494 4.829 0 1 HJAF Oc1c(Br)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587016703 ARLQWCRORIKFEN-UHFFFAOYSA-N 407.680 4.870 0 1 HJAF COc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Cl 587018901 CEVLGURQHRIJEN-UHFFFAOYSA-N 413.890 4.916 0 1 HJAF Cc1c(-c2nc3c(Br)c(F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028977 DIVWLBMYJRKUFE-UHFFFAOYSA-N 419.279 4.614 0 1 HJAF Cc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074345 SWMXNMIQNMKMFP-UHFFFAOYSA-N 409.774 4.989 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1 587124531 MOJZEODHBJUUOD-QUBYGPBYSA-N 418.192 4.636 0 1 HJAF COc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)nn1-c1ccccc1F 587157205 XZPGNFNBEMRXQZ-UHFFFAOYSA-N 412.424 4.794 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O 587463400 AAEDVSWWXCXHRO-NRFANRHFSA-N 422.399 4.787 0 1 HJAF O=C1C[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)Oc2c1ccc1c2CCCC1 587513894 LRQJEPKPFPILOE-XMMPIXPASA-N 419.521 4.615 0 1 HJAF O=C1C[C@@H]([C@H]2CCCN2C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587517471 NWQBKSTVVSSPLC-GGAORHGYSA-N 405.494 4.700 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1F 587557309 MNMZJIBGRVXMDY-XLIONFOSSA-N 415.214 4.997 0 1 HJAF Cc1cc(F)ccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587570564 LOHHGRLLIWJGGT-QFIPXVFZSA-N 419.452 4.841 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC(F)F)cc2)N1 587720797 UTGMDWVJTLFMJF-YPMLDQLKSA-N 400.238 4.987 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1 587739483 HHXLBDQOAAUFRD-BUXKBTBVSA-N 415.347 4.595 0 1 HJAF CC(C)C(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745917 XPYAWEYCKVJHCV-ZSEKCTLFSA-N 419.338 4.980 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1c(C)cccc1C 587862676 VRDABEDWGBOACW-UHFFFAOYSA-N 404.388 4.914 0 1 HJAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(I)cc2[nH]1 587934014 FAUBJVRTOKJLEB-UHFFFAOYSA-N 416.262 4.748 0 1 HJAF Cc1nc(-c2ccccc2)c([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962719311 XQUPTVPFDGXOMB-AEFFLSMTSA-N 402.441 4.854 0 1 HJAF Oc1cccc2c1CCC[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962395 VGYZGONQCRYFRO-QFIPXVFZSA-N 403.444 4.642 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](c1cn(-c2ccccc2)nc1-c1ccco1)NCC3 963052748 GYMTVDHPXWCVBA-SANMLTNESA-N 422.488 4.924 0 1 HJAF O=C(O)c1cccc2c1CCN[C@H]2c1cc(Cl)ccc1OCc1ccccc1F 963133785 SPMXYIHZVKSJBH-JOCHJYFZSA-N 411.860 4.991 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCCC(=O)O)c1ccc(Cl)c(F)c1 963607134 JASTWMHAMDVCHA-WHEQGISXSA-N 421.896 4.529 0 1 HJAF O=C(NCc1ccccc1)c1ccccc1-n1cc2ccc(Br)cc2n1 1772578364 JLWSSEHQNKJFMI-UHFFFAOYSA-N 406.283 4.718 0 1 HJAF CCn1c(=O)cc(N2CCOCC2)c2cc(-c3cccnc3-c3ccccc3)ccc21 1857559352 KAZVGSCDBJETLA-UHFFFAOYSA-N 411.505 4.587 0 1 HJAF CC(=O)OCC=C(CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C(=O)O)COC(C)=O 2356573160 BKCYJXFNFNVGFG-XWVZOOPGSA-N 420.546 4.683 0 1 HJAF CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1 61896157 MAXFVEFQGQLWRG-XMMPIXPASA-N 410.583 4.878 0 3 HJAF COC(=O)c1c(O)ccc2c1c1c(n2CCc2ccccc2)C(=O)c2ccccc2C1 1662841 NGGYYXRSEWXKHX-UHFFFAOYSA-N 411.457 4.511 0 1 HJAF C[C@H]1CCC[C@H](NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C 12531720 ZRHSCMXFOILLCB-QOKUDNMUSA-N 403.513 4.846 0 1 HJAF O=c1cc(NC2CCN(Cc3ccc4ncoc4c3)CC2)c2cc(Cl)ccc2o1 13673203 LYKCYSWDPGDWES-UHFFFAOYSA-N 409.873 4.664 0 1 HJAF COc1ccc(-c2nc3ccc(-c4nc5cc(CCN(C)C)ccc5[nH]4)cc3[nH]2)cc1 26729347 TVRUMKHXRMNJMJ-UHFFFAOYSA-N 411.509 4.886 0 1 HJAF O=C1C[C@H](c2ccccc2C(F)(F)F)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27082880 KJTQCZRJMSGYCE-SNVBAGLBSA-N 407.775 4.824 0 1 HJAF O=S(=O)(c1cccc2ccccc12)n1cc(C2=CCNCC2)c2cc(F)ccc21 28133481 MGZWJJZZEXMBMZ-UHFFFAOYSA-N 406.482 4.547 0 1 HJAF CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N[C@H]1CCCc2ccccc21 28951028 UGRXLCPTXWYIJX-HNNXBMFYSA-N 422.337 4.830 0 1 HJAF COc1ccc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 43022899 KRAXGPGCVAJUMM-UHFFFAOYSA-N 402.522 4.834 0 1 HJAF CC(C)(C)NC(=O)[C@@H](c1c[nH]cn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95594882 MESBDSHAAOLHLD-HXUWFJFHSA-N 422.529 4.603 0 1 HJAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)cc12 96908222 SLQJDOXEUFHUGL-UHFFFAOYSA-N 420.557 4.806 0 1 HJAF O=c1cc(-c2ccc(-c3cccc4cccnc34)cc2)sc(N2CCOCC2)c1 101073953 WPNAVVCTGUVJLO-UHFFFAOYSA-N 400.503 4.827 0 1 HJAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3cccc4ccccc34)C2)cc1 169336257 SOLRGZXQVOFWJI-OAQYLSRUSA-N 401.491 4.629 0 1 HJAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC[C@H]3C(F)(F)F)cc2n1 221604827 AOOUGBGXTABIRZ-FQEVSTJZSA-N 417.406 4.667 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@H]1c2ccccc2N[C@H]1C3 261151479 OZDWUFRFWFSOQE-MQVRAZHGSA-N 416.565 4.667 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586888733 LVMIJFQBRUMCEY-SGTLLEGYSA-N 417.303 4.648 0 1 HJAF CC(C)COc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Br 586903833 QJJHMRZSBOWUBH-KBXCAEBGSA-N 401.304 4.929 0 1 HJAF Nc1ncnc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc12 587013021 GRBJYOQOSZFJAD-UHFFFAOYSA-N 418.913 4.970 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2 587030632 GUEJDVTXGFWGII-WFNNLQEBSA-N 406.483 4.968 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(F)c2[nH]1 587065805 ZRZNLSFQRNNTHY-UHFFFAOYSA-N 413.630 4.518 0 1 HJAF Cc1cccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 587092832 ZVCUQZHPDZOBBT-UHFFFAOYSA-N 413.440 4.676 0 1 HJAF Fc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc12 587183506 WPOZDUICGHFJCE-UHFFFAOYSA-N 408.001 4.675 0 1 HJAF CC(=O)Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335842 MQVVAVCUSWLXGE-NOZRDPDXSA-N 417.436 4.690 0 1 HJAF O=C(O)C1CC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 587355115 SRQPAVLCTOZTMO-DKEPKSJXSA-N 410.441 4.684 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)c(Cl)c1)CC2=O 587460413 GAQCXJKHLWPAJP-WYRIXSBYSA-N 404.846 4.557 0 1 HJAF CCOC(=O)C[C@]1(c2ccccc2OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587527209 WRNROZWEBUJVRB-VWLOTQADSA-N 408.494 4.778 0 1 HJAF O=C1CCN(c2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1 587535781 ONRGMNWHPUSWJX-KRWDZBQOSA-N 416.930 4.551 0 1 HJAF COc1c(F)cc(F)cc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559869 ZXFGVWSVDGNOMP-ICSRJNTNSA-N 412.388 4.642 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OCC2CC2)c1 587592156 IGAQLUVTKQPFEJ-XUZZJYLKSA-N 404.418 4.590 0 1 HJAF CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704629 JFYQSCCCTYQZBN-QFYYESIMSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1 587727940 QGTGFKMXARCWCR-FKIZINRSSA-N 418.285 4.711 0 1 HJAF C[C@H]1CCCC[C@H]1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587771679 WMRITBAWNQGSAZ-HDMKZQKVSA-N 409.387 4.992 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795552 YGTWSVQYTLRXJS-SBKAZYGRSA-N 423.326 4.844 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(O)sc3c2)N1 587858030 OBUPIFPBYSXQBD-NIVTXAMTSA-N 407.308 4.701 0 1 HJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587951016 IGZRJMNESSKCBU-HNNXBMFYSA-N 411.465 4.915 0 1 HJAF Cc1ccc(-c2nnc(-c3cccnc3)o2)cc1Nc1nccc(-c2cccnc2)n1 653794569 ZMAPOUSZTPGKGN-UHFFFAOYSA-N 407.437 4.703 0 1 HJAF CNc1nc(N)c([C@@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)s1 962665780 PYHXOIUMUPNDTA-VWLOTQADSA-N 412.562 4.872 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccccc1OC(=O)c1ccccc1 963257069 GRVACWRHNYCNHG-DEOSSOPVSA-N 407.897 4.977 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(-c2cccc(C(=O)O)c2)cc1 963606598 ILCDZNSOWGFDHA-OWJWWREXSA-N 403.478 4.693 0 1 HJAF COc1cc(C(=O)c2nc(Oc3ccccc3)nc3ccsc23)cc(OC)c1OC 1857567211 VZELVGLJVJBZCL-UHFFFAOYSA-N 422.462 4.740 0 1 HJAF c1ccc(COC[C@H]2O[C@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1 1618474 DDSMNKYRACJCFU-XDZVQPMWSA-N 402.490 4.828 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl 4080597 XVSQGDAPUAXGEB-FPOVZHCZSA-N 417.912 4.553 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCN(CC)CC 4212605 MHHZZVQSTUHMMM-GOTSBHOMSA-N 417.594 4.557 0 1 HJAF O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(Cl)cc1 13580642 UCIUTCIVAMCLST-UHFFFAOYSA-N 411.797 4.781 0 1 HJAF CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccn(Cc4ccccc4)c32)C1(C)C 13741380 URWHLKOGTDACHK-DHIUTWEWSA-N 403.546 4.668 0 1 HJAF O[C@H](CN[C@H]1CC[C@@H]([C@H](c2ccccc2)c2ccc(F)cc2)NC1)c1ccc(F)cc1 29056598 LZVBSBWZUPYVCY-QEGGNFSNSA-N 422.519 4.541 0 1 HJAF COc1cccc(-c2ccc3c(c2)Nc2ccc(CCC(=O)N(C)C)cc2NC3=O)c1 43120434 AXPBXHYJISQJSG-UHFFFAOYSA-N 415.493 4.692 0 1 HJAF O=C(c1ccccc1)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103573 DUUOWWKRYAYWCH-QHCPKHFHSA-N 405.929 4.719 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CC[C@H]2CCCN2C)cc1 82179412 SEERJQCCKXDAAP-HXUWFJFHSA-N 420.605 4.820 0 1 HJAF Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCc2ccccn2)o1 82180307 YKMKZRHOEIIJED-UHFFFAOYSA-N 424.508 4.953 0 1 HJAF CO/C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCN1CCCCC1 149328905 OYXNUCBYFCBPOS-GNTSWZRDSA-N 422.356 4.620 0 1 HJAF N=C(N)c1cccc(COc2ccc3cc(OCc4cccc(C(=N)N)c4)ccc3c2)c1 169330786 HYMRYETYFIAYGY-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc43)c21 200692479 WMXHNYCIMIWIHK-DEOSSOPVSA-N 413.569 4.740 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 586951033 REIABDLYHSGQIO-UHFFFAOYSA-N 420.519 4.878 0 1 HJAF Fc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1Br 586996747 YTPAKARDTPQACD-UHFFFAOYSA-N 413.088 4.882 0 1 HJAF Clc1ccc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)cc1 587016287 UJQJWKXZZKEONR-UHFFFAOYSA-N 410.930 4.839 0 1 HJAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)cc12 587038851 UDPOSBLATLCULU-MRVPVSSYSA-N 408.314 4.617 0 1 HJAF COc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1OC 587080768 FVVQZHCOGZTROF-UHFFFAOYSA-N 405.845 4.610 0 1 HJAF N[C@@H](N=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587109613 HLEKQCIWVFHADJ-HNNXBMFYSA-N 402.298 4.915 0 1 HJAF FC(F)(F)c1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587183865 KFVJUTVQFGLTJF-PLNGDYQASA-N 415.156 4.752 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccnc4cc(Br)ccc14)[C@@H](C2)C3=O 587416537 CLHFFLYAOOEECG-KKSFZXQISA-N 410.267 4.669 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(Cl)c(Cl)c1 587543523 KRQVFRJYYLPLMN-NQIIRXRSSA-N 417.244 4.548 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Cl)cc2)c1 587551445 FMMMSTVZWHVZME-NFBKMPQASA-N 418.836 4.934 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580939 TXXJYAYYLKUETM-RCZVLFRGSA-N 415.445 4.544 0 1 HJAF CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@@H]1C 587582651 MFRKBSSERDOMBL-PZQJFTFDSA-N 401.462 4.866 0 1 HJAF O=Cc1cccc([C@@]2(C3CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603972 STSQGVXTWFUSNL-RCZVLFRGSA-N 400.430 4.862 0 1 HJAF Cc1nc(-c2ccccc2)cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661446 OITZPSMTYHIPNH-UHFFFAOYSA-N 408.436 4.957 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)cc3)CC2)N1 587736960 XMWBUYSAWXGBDD-ZDUSSCGKSA-N 407.302 4.757 0 1 HJAF COc1cccc(-c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)on2)c1 587799485 ZOCORFBUQQBKHF-YBTHPKLGSA-N 417.278 4.875 0 1 HJAF Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2ccccc2[nH]1 618009656 GSJRGNXSXXLVHB-UHFFFAOYSA-N 402.586 4.796 0 1 HJAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962674155 VTALUWABOBBMHH-RPWUZVMVSA-N 423.582 4.659 0 1 HJAF Cc1ccc([C@H](C)C[C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963155951 ZOEFMCOBKUCJGT-BYCMXARLSA-N 406.504 4.526 0 1 HJAF CCC[C@@]1([C@H](CC2CC2)C(=O)OCC)c2cccc(Br)c2CCN1C 963281207 QIGSXANZHQXXNA-NQIIRXRSSA-N 408.380 4.912 0 1 HJAF CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12c1cccc(Br)c1CCN2C 963290727 XUJNWAFHWPXCLA-YCRPNKLZSA-N 423.395 4.799 0 1 HJAF O=C(NCC(F)(F)F)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772606012 JYUBUXPVIFJNSK-UHFFFAOYSA-N 415.293 4.733 0 1 HJAF COc1ccc2ncc(S(=O)(=O)c3cc(C)cc(C)c3)c(N3CCC(C)CC3)c2c1 1772622547 IAICWYCPMCVGLC-UHFFFAOYSA-N 424.566 4.929 0 1 HJAF C[C@H](CCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356345666 XIVYAVYHUZLGIV-WKHGPKRUSA-N 416.599 4.794 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)C3=CC[C@H]([C@@H]4COC(=O)C4)[C@@]3(C)CC[C@H]21 2356415470 MBJLOOMSTRIRSW-MSFPHFPRSA-N 412.570 4.903 0 1 HJAF CC(=O)O[C@@H]1C(C)=C(CCC(C)=CCO)[C@]2(C)CCCC(C)(C)[C@@H]2[C@H]1OC(C)=O 2356491818 QQJGTXJPLKSUKT-VCHRRKICSA-N 406.563 4.731 0 1 HJAF CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1cc(OC)cc(OC)c1 1654498 VFRPJBXUBGIVPA-UHFFFAOYSA-N 422.359 4.635 0 1 HJAF COc1ccc(Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c(OC)c1 2956171 MGNUGOSAFLAKIJ-UHFFFAOYSA-N 410.451 4.686 0 1 HJAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)C(F)F)cc1 6091701 KHDFIAQCSUVUBO-UHFFFAOYSA-N 408.323 4.877 0 1 HJAF O=C(N[C@@H](c1ccccc1)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)OCc1ccccc1 6252191 RIIJQTXQLSQJRD-SMIHKQSGSA-N 414.505 4.607 0 1 HJAF COc1ccc([C@H]2NCCN[C@H]2c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 40434482 ANMLZDJNDMOMDQ-MSOLQXFVSA-N 401.721 4.639 0 1 HJAF O=S(=O)(Cc1cccc(F)c1)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12 59242729 RPESNDKRCUNIGV-XMMPIXPASA-N 420.509 4.785 0 1 HJAF CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 64416780 IZMYNAZDOKXFDK-UHFFFAOYSA-N 407.510 4.712 0 1 HJAF CCCC[C@H](CC)CNc1nc(NC[C@@H]2CCCO2)nc2cc(OC)c(OC)cc12 82128695 PJFMIFFKQLQYKJ-IRXDYDNUSA-N 416.566 4.866 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O 95908897 ZIISMZIZMXGTAW-YQJWFCKZSA-N 422.562 4.766 0 1 HJAF biogenic,in-vitro NC(=S)Nc1ccc2[nH]c(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)nc2c1 96273598 LCOFATGVHNNVLF-UHFFFAOYSA-N 408.527 4.634 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 100772860 JCUWKPURUZEBFJ-PXHMUHRZSA-N 412.526 4.789 0 1 HJAF endogenous,in-man O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC2CCCCC2)cc1 103252217 YTSXEWWWGWYEKH-UHFFFAOYSA-N 421.946 4.809 0 1 HJAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cccs2)cc(-c2ccc(C)cc2)c1 142609598 UMQYUULIHXTDGS-MRXNPFEDSA-N 408.523 4.741 0 1 HJAF CSc1nn(-c2ccc(Br)cc2)c2cc(OC3CCNCC3)ccc12 169706038 QSYSXIKOGKMZRU-UHFFFAOYSA-N 418.360 4.641 0 1 HJAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)nc(C(F)(F)F)c12 209327899 KANFOBIRNHBCPL-MRVPVSSYSA-N 413.787 4.521 0 1 HJAF C/C(=C/Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1)CC[C@H](O)C(C)(C)O 238775785 UKDKIYYRIZKILX-CYORROSISA-N 412.482 4.617 0 1 HJAF Cc1ccc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586962740 YUMLWADUSWXHNH-HOJAQTOUSA-N 409.555 4.874 0 1 HJAF Clc1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040358 HJNNMWGMDBOKBP-CABCVRRESA-N 408.752 4.925 0 1 HJAF Cc1nc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1Br 587137581 BTOGITOZACLGFY-UHFFFAOYSA-N 403.024 4.737 0 1 HJAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351056 HQJDGXOXXRSLPE-LADGPHEKSA-N 424.424 4.724 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OC(C)C)[C@@H](C2)C3=O 587416642 DSBUWMUCABRFGL-YWZLYKJASA-N 403.272 4.734 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1ccn4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587432054 UALMMZJBHZEADC-JTSKRJEESA-N 405.450 4.922 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc5c(c4)CCC5)o1)[C@@H](C2)C3=O 587456926 YOFWNCXXQJNJDI-CPJSRVTESA-N 402.446 4.845 0 1 HJAF O=C1CCN(c2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)CC1 587535782 ONRGMNWHPUSWJX-QGZVFWFLSA-N 416.930 4.551 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)cn1 587550880 CQXRBNWTCHPDNV-OFNKIYASSA-N 418.836 4.934 0 1 HJAF Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 587575753 DAJUJDDTGDOUOW-ZEQKJWHPSA-N 423.424 4.986 0 1 HJAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577790 OYPUHWWSCPRJNE-WIOPSUGQSA-N 415.445 4.857 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(C)C)c1 587598803 YMXIXUHPWKUHFD-ZJSXRUAMSA-N 406.434 4.891 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Br)c2)N1 587676896 ILKVRTSRSIEMJK-ZKANADHPSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2Br)N1 587676948 JGAMBXAVYHXRCZ-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2Br)N1 587678750 LNZZWFPFBXQGFQ-JDNHERCYSA-N 414.116 4.543 0 1 HJAF COc1ccc2c(c1)cc([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)n2C 587753530 AYUBNJJDQCCCTG-GIPWTMENSA-N 403.295 4.712 0 1 HJAF CC[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587804950 DSLLXOLMTDVULK-ODXCJYRJSA-N 408.311 4.793 0 1 HJAF CCOP(=O)(C[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC 587850615 QTZCFLFINFAPEK-YVEFUNNKSA-N 422.275 4.994 0 1 HJAF CCNc1cc(C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)ccc1O 653850115 VEXADRXIVYFCEP-UHFFFAOYSA-N 409.298 4.902 0 1 HJAF COc1cc2c(cc1OC)[C@@](C(F)(F)F)(C(Cl)(Cl)Cl)N(C)[C@H](C)C2 962637985 UPRKUVSPEDDIGQ-OQPBUACISA-N 406.659 4.708 0 1 HJAF Oc1ccc2c(c1)[C@@](CCc1cc(F)c(F)c(F)c1)(c1cccc(F)c1)NCC2 963327862 ASQSZHXDXBEMAA-HSZRJFAPSA-N 401.403 4.971 0 1 HJAF C[C@H]1c2ccccc2N(Cc2ccccc2)C(=O)[C@@H](C)N1C(=O)NCc1ccccc1 1772649521 XWSPLWBSYSPPFJ-VQTJNVASSA-N 413.521 4.895 0 1 HJAF COc1cc(C(=O)[C@@H](CCC2CCN(Cc3cccc(C)c3)CC2)C(C)=O)ccc1O 1772656425 APQOQSHPMANQOF-QHCPKHFHSA-N 423.553 4.790 0 1 HJAF CC(=O)O[C@H](CCC(C)=C[C@@H](O)CC(C)=CCCc1ccoc1)[C@]1(C)CCC(=O)O1 2356420145 QBMTWQFCLDXOKN-ZDXQCDESSA-N 418.530 4.663 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)C[C@H](O)C(F)(F)F)CC[C@H]12 253778757 JVSPILBDVWXPBS-JGJAPEBZSA-N 416.524 4.889 0 3 HJAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCOc1ccccc1 4216131 LQQYGAJBROJHFR-DNQXCXABSA-N 424.541 4.904 0 1 HJAF CC(=O)c1ccc([C@H]2C=C[C@H](Oc3ccc(-c4ccccc4)cc3)[C@H](CO)O2)cc1 7992561 RHEUMQFNOLHRJN-ZNZIZOMTSA-N 400.474 4.992 0 1 HJAF COCOc1ccc2c(c1)O[C@H](c1ccc(OCOC)c(CC=C(C)C)c1)CC2=O 28653695 WAKLAEWPUCTBLI-QHCPKHFHSA-N 412.482 4.867 0 1 HJAF Cc1cc(NC(=O)OC2CCOCC2)nn1Cc1cc(Cl)ccc1OCC(C)C 29043298 NDQQNRIZYLKMCX-UHFFFAOYSA-N 421.925 4.656 0 1 HJAF Cc1ccc(COc2cc(Cl)cc(Cl)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)cc1 29413794 PDTMNWKGLJLBSQ-KGVXHEBISA-N 407.293 4.961 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H]2SC(=O)NC2=O)cc1 29489796 QHTULCIAIDWQKP-HXUWFJFHSA-N 406.507 4.719 0 1 HJAF CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36153110 AMMUGGRFIMMQNM-WQEGKMJXSA-N 416.650 4.971 0 1 HJAF Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C(F)(F)F)cn1 40429420 CVQYZFUNNHTNRA-UHFFFAOYSA-N 415.463 4.997 0 1 HJAF CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2CCc2ccccc2)cc1 43060110 SQDQYYZHLUAFFO-HSZRJFAPSA-N 423.559 4.580 0 1 HJAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 82139531 LRAOFUAQNHAMIT-NLCWTHGUSA-N 410.537 4.539 0 1 HJAF CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1C[C@@H]1CCCO1 82181002 SHHNMGYFTHJWFH-SFHVURJKSA-N 411.525 4.703 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632463 ZJLWNINUSNAVBA-GUYCJALGSA-N 421.349 4.667 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(c1ccno1)(C3)C2 101136387 PLQQJMFGNKDHGI-IATQVPIZSA-N 414.933 4.748 0 1 HJAF O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115653702 YXMHNMINORWDOM-HSZRJFAPSA-N 403.869 4.545 0 1 HJAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccc(O)cc2)cc1C(=O)O 143795320 LMLRCASNZAWCIL-UHFFFAOYSA-N 405.516 4.860 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 169323757 NVBZLUSKXDCJBQ-AMUVQHJVSA-N 402.623 4.580 0 1 HJAF N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1 223662038 XHEMLSAQWNQULE-SFHVURJKSA-N 416.550 4.581 0 1 HJAF CCOC(=O)c1ccc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1 587131203 WQDOKQHYBAVVMP-UXBLZVDNSA-N 402.397 4.910 0 1 HJAF COC(=O)c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cn1 587159813 UWTCKTBTXZHROG-LJQANCHMSA-N 411.820 4.705 0 1 HJAF CCCOc1ccccc1[C@@]1(CN)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338786 ROLQEGGCBWKGSX-UKILVPOCSA-N 421.468 4.533 0 1 HJAF CCOc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357773 ONVCNDKCXYUOCH-ILBGXUMGSA-N 420.436 4.967 0 1 HJAF Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587382756 RYOVOBFANLTXFV-SFHVURJKSA-N 418.884 4.955 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C)C1)CC2=O 587478210 RVCJFPTWJNOMPO-CRICUBBOSA-N 423.509 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)CC2=O 587478331 ALURJRAHRGTJBO-VWLOTQADSA-N 418.445 4.658 0 1 HJAF COC(=O)c1cc2nc(CCOCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 587565661 HIPFVZLLVJDYNJ-UHFFFAOYSA-N 419.456 4.992 0 1 HJAF COc1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1 587754417 DLDXDDKHLBIQRX-GIPWTMENSA-N 403.295 4.712 0 1 HJAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 587755358 OYPHJBSDZSBGDP-RNODOKPDSA-N 400.295 4.706 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587762896 GROBBBUAKFQOHL-MPBGBICISA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587836542 WHYFOEPTGGLWNS-QFHBZMERSA-N 404.279 4.780 0 1 HJAF CCCCc1cn([C@H](CN2CCOCC2)c2ccc3sc4ccccc4c3c2)nn1 653888025 LXHXOKWQCXKHHR-JOCHJYFZSA-N 420.582 4.910 0 1 HJAF Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc12 962722430 WZGMNBLEBLYTAG-UXHICEINSA-N 403.375 4.994 0 1 HJAF C[C@@]1(CC(=O)Nc2ccc(F)c(F)c2)c2ccsc2CCN1Cc1cccnc1 962998779 QFQWLJILXOBEBI-JOCHJYFZSA-N 413.493 4.724 0 1 HJAF Cc1ccc(C(=O)O)cc1-c1ccc([C@H]2NCC(C)(C)c3ccc4c(c32)OCO4)o1 963391421 SVKRZIOOWXOLNP-OAQYLSRUSA-N 405.450 4.652 0 1 HJAF O=C(NC1CC(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772584059 IAHWYYIYLGDODQ-UHFFFAOYSA-N 405.351 4.671 0 1 HJAF COC(C)(C)CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772629460 POQWKLAVDUIAHX-UHFFFAOYSA-N 419.403 4.596 0 1 HJAF O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCN(CCc2ccccc2)CC1 1857594344 CZGUJCKXPGCSAS-UHFFFAOYSA-N 403.353 4.830 0 1 HJAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]3F)[nH]c2cc1C 2356302033 KKMAPTMKVOPAPC-FXAWDEMLSA-N 421.438 4.938 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12 2356478931 YGDIXPFBPXGHMQ-PVPUWDSSSA-N 416.514 4.955 0 1 HJAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(COC(C)=O)c13)CCC[C@H]2C 2356637833 HGIPTKYNICIYKL-CQSZACIVSA-N 400.471 4.954 0 1 HJAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1 61906323 IIIIHPCVQRONHU-HSZRJFAPSA-N 421.884 4.693 0 3 HJAF COc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1O 904259 FAJNVSHDESXHAB-UHFFFAOYSA-N 402.292 4.833 0 1 HJAF O=C1CN(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456673 ZEYSDGLBYLGYOR-NRFANRHFSA-N 412.823 4.802 0 1 HJAF C[C@]12C[C@H](/C=C\I)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13651929 BLGSUUFKFHIHOU-AMHJZTKYSA-N 424.322 4.784 0 1 HJAF C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)c1ccccc1 13780417 UXCSHAYCUHVVKW-CYBMUJFWSA-N 417.856 4.933 0 1 HJAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(C(F)(F)F)cc2)c2cccc(O)c21 13862149 ZHKXLILKBVBNJO-UHFFFAOYSA-N 412.363 4.605 0 1 HJAF COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1C 25977148 JUESMOBVQIWTCT-UHFFFAOYSA-N 408.535 4.711 0 1 HJAF O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 28229732 FHFARRKNGONYLJ-MPXGXIRNSA-N 418.342 4.562 0 1 HJAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(F)c2)CC1 28822975 XYMHPEZKUBNUAB-UHFFFAOYSA-N 407.489 4.609 0 1 HJAF COc1cc(-c2ccccc2)ccc1OCC(=O)Cn1ccc2cc(C(=O)O)ccc21 49050655 QZDILKPTHSDROL-UHFFFAOYSA-N 415.445 4.663 0 1 HJAF COc1ccc(Cc2noc([C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC 49803824 FZBKCWULLLYQJB-XMMPIXPASA-N 424.497 4.549 0 1 HJAF COc1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2 82159952 BTJHWCJCRJUEGO-ONEGZZNKSA-N 402.498 4.666 0 1 HJAF OCC1CCN(c2cnccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95563680 OUNNTDMKBVTQFO-UHFFFAOYSA-N 415.497 4.703 0 1 HJAF O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100101474 ZEODWUKPPFZFMB-NUNAXRQHSA-N 405.448 4.604 0 1 HJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2ccc(F)cc2)[C@@H]2CC[C@@H]1C2 100927196 IMOYQSALPFSZJN-GFWRIYLXSA-N 402.506 4.985 0 1 HJAF Oc1nc(Nc2ccccc2)nc2c1ncn2CCCCN1CCC[C@H]2CCCC[C@H]21 253652171 WHNWGLBSXQAFNX-UYAOXDASSA-N 420.561 4.710 0 1 HJAF Fc1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587001951 BVKGKODKHJAWNZ-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587114128 WHBZTRQLYLSRKW-INIZCTEOSA-N 417.218 4.683 0 1 HJAF COc1cc(-c2nc3cc(OC)c(F)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144131 QZKSNADPALCPQZ-UHFFFAOYSA-N 410.376 4.891 0 1 HJAF O=C(NCCc1nc2cccc(OCc3ccccc3)c2[nH]1)OCc1ccccc1 587228078 IAMFMNGERBGDEE-UHFFFAOYSA-N 401.466 4.611 0 1 HJAF COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587249475 MJMIPSIIEQZCCA-UHFFFAOYSA-N 400.198 4.910 0 1 HJAF COc1cccc(-c2cc(C3CCS(=O)(=O)CC3)nc3c2oc2ccccc23)c1 587365254 KNDGKWMOLADBFX-UHFFFAOYSA-N 407.491 4.949 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccccc1C(=O)O)(c1ccccc1)O2 587410051 PQBAHCPPSILXFF-XMMPIXPASA-N 419.502 4.928 0 1 HJAF COC(=O)c1cccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441248 DGCKTCPOAOSKEI-RLWLMLJZSA-N 414.457 4.812 0 1 HJAF COC1=C(c2ccccc2)Oc2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587449527 BWNGURJMIBRSDD-BCHFMIIMSA-N 412.441 4.746 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OCC)c1O)CC2=O 587458323 RVXSWFHRBYYGIZ-KRWDZBQOSA-N 421.287 4.918 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(c1ccc(Cl)cc1)CC2=O 587460045 FGTQUMYRNVGHBP-JOCHJYFZSA-N 402.874 4.812 0 1 HJAF CCOC(=O)CCC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525625 QMASFZLJWPPJCM-HSZRJFAPSA-N 406.478 4.798 0 1 HJAF O=C(c1cc2ccccc2cc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659852 GGLRDHXQVUHJCF-UHFFFAOYSA-N 410.404 4.750 0 1 HJAF Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587693716 FESOCLJZKCCQLE-HUTHGQBESA-N 400.723 4.505 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1 587739484 HHXLBDQOAAUFRD-CWTRNNRKSA-N 415.347 4.595 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587742095 JHIDVCZACDDPDN-ZSEKCTLFSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2Cn2ccnc2)N1 587755788 QONNEURPSXWGNN-KKVAFCGZSA-N 406.343 4.795 0 1 HJAF Cc1cccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587760967 RMCXOQSHSLTPLT-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587789375 CZAFENWHDOGWTO-FVINQWEUSA-N 423.326 4.508 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1cccs1 587863699 FXFJPXKQNOJJAX-UHFFFAOYSA-N 411.474 4.604 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12CC3CC(CC(C3)C1)C2 587868866 VYAUGKLPPRVLFD-UHFFFAOYSA-N 405.420 4.829 0 1 HJAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(O)c2)cc1OC 587925513 ASULJEBKMAILCO-UHFFFAOYSA-N 418.449 4.781 0 1 HJAF CCCC[C@@]1(c2ccnc(Cl)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961829 HMEMCDGZICCOBF-LIRRHRJNSA-N 415.267 4.699 0 1 HJAF COc1cc(N(CC2CC2)c2ccc3ccccc3c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772618818 CLIHVYIXCIRSKQ-SFTDATJTSA-N 416.477 4.695 0 1 HJAF COc1ccccc1N1CCN(C(=O)N2c3ccccc3CCc3ccccc32)CC1 1772624901 DGRZKUMLOFUGII-UHFFFAOYSA-N 413.521 4.874 0 1 HJAF CC(C)Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12 1772648899 YTHXJOGTZIQQJR-UHFFFAOYSA-N 408.889 4.796 0 1 HJAF CN1CCN(c2sc(NC(=O)c3ccc(-c4ccccc4)o3)nc2C2CCC2)CC1 1857599709 OYNOJBZFSIUFAL-UHFFFAOYSA-N 422.554 4.675 0 1 HJAF Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](CC(=O)N4CC[C@@H](c5ccccc5)C4)CC3)c12 1911575327 RIIYNCQLNSUQAF-MISYRCLQSA-N 418.541 4.652 0 1 HJAF CC(C)=CCC[C@@]1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@H]1O 2356396248 FVQOXJFGJXBAIU-RCZVLFRGSA-N 422.477 4.672 0 1 HJAF COc1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(Cl)cc2)cs1 61930137 FCRFNXVOUOIFQR-CQSZACIVSA-N 402.907 4.692 0 3 HJAF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4080900 XKKAPFKIFDHEJS-GGAORHGYSA-N 422.887 4.930 0 1 HJAF CC(=O)c1ccc([C@@H]2C=C[C@H](Oc3ccc(-c4ccccc4)cc3)[C@H](CO)O2)cc1 7992560 RHEUMQFNOLHRJN-GSDHBNRESA-N 400.474 4.992 0 1 HJAF CN(CC[C@@H]1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1 13525959 CKGHAUDWGMFVJT-LJQANCHMSA-N 403.551 4.566 0 1 HJAF CSc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 13782343 WROWADQWIRVOEP-UHFFFAOYSA-N 424.397 4.752 0 1 HJAF CCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 20436373 NCTZNIKBTMRHEP-UHFFFAOYSA-N 422.959 4.589 0 1 HJAF Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(F)cc1F 26277143 PUPSMRYNKVZVOY-UHFFFAOYSA-N 416.493 4.852 0 1 HJAF CC(C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 26817156 QSHHUEAUGKNKKU-RKEDLRMNSA-N 404.554 4.578 0 1 HJAF CN1CCN(CCCOc2ccc(-c3cc(-c4cccc(Cl)c4)no3)cc2)CC1 28372093 URXHZDGTVDUGBO-UHFFFAOYSA-N 411.933 4.678 0 1 HJAF CCc1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21 40763390 PORRZPMERCLAIA-UHFFFAOYSA-N 404.470 4.752 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2C[C@@H]2C)cc1Cl 42921012 DRKZJUOFSWGWDD-JRTLGTJJSA-N 406.375 4.624 0 1 HJAF C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1ccccc1 45339037 ONYZBXNUJWRHLM-GOSISDBHSA-N 403.478 4.774 0 1 HJAF CC(=O)N1CCC[C@]1(Cc1ccc(F)cc1C(F)(F)F)C(=O)OCc1ccccc1 49067455 DGULSCCZGHBPSG-NRFANRHFSA-N 423.406 4.512 0 1 HJAF O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3cccs3)no2)CC1 71330196 LPKVXPGMPSWOPV-UHFFFAOYSA-N 421.444 4.766 0 1 HJAF Cc1nn(C)c(Oc2ccccc2Cl)c1C(=O)N1CCCC[C@@H]1c1cccnc1 95588931 RXQVFMACXHFEKT-GOSISDBHSA-N 410.905 4.937 0 1 HJAF O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100101340 MZKJKWMJHWCATF-JKHIJQBDSA-N 405.448 4.604 0 1 HJAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc21 144248078 FKVKACCOVDVJAP-LJQANCHMSA-N 405.498 4.554 0 1 HJAF CC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(NC(=O)CC3CCCC3)cc1)C2 166417029 DVTMAVHWAAQXSL-UHFFFAOYSA-N 405.498 4.956 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713446 GLSZMIVCBQXSEA-RQQHLKTHSA-N 402.623 4.725 0 1 HJAF Fc1ccc(C2=CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112505 ITMJHLIDQMXDHA-VWLOTQADSA-N 413.612 4.950 0 1 HJAF Cc1ccc2c(CC(=O)O)cn(-c3ccc(F)cc3Cc3c(C)noc3C3CC3)c2n1 208701479 CAHPLJUPJCDVBF-UHFFFAOYSA-N 419.456 4.865 0 1 HJAF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc(Br)cc1 299862447 JQZCYQPWRJDBRE-UHFFFAOYSA-N 416.300 4.921 0 1 HJAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(C(F)(F)F)c1 473168203 KWWIRYRJWPPZAG-UHFFFAOYSA-N 414.339 4.660 0 1 HJAF Cc1cc(F)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 587006045 AUGKZSJGUQYQDI-UHFFFAOYSA-N 412.262 4.650 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1Cl 587065500 RZUDSQJNTWMFAA-UHFFFAOYSA-N 409.593 4.786 0 1 HJAF COc1cc(OC)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587345907 ACNVNGCJSRJPBT-UPVQGACJSA-N 408.425 4.823 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)ccc41)[C@@H](C2)C3=O 587421160 KLYGTQJQIPURDK-YADARESESA-N 402.833 4.584 0 1 HJAF COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1N)(c1ccccc1F)[C@@H](C2)C3=O 587427258 RKLOCRVNYFKXMP-SBUREZEXSA-N 409.844 4.761 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O 587451586 JXJJVNBKHSBIGB-XTZNXHDOSA-N 413.278 4.571 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)O)cc1Br)CC2=O 587457386 XWKRRGBKWIJSCK-KRWDZBQOSA-N 405.244 4.512 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587482536 CDPHXQGCLNMPIK-HGDBAGAISA-N 415.530 4.716 0 1 HJAF C[C@@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547136 ZHNIPSWPTQEXCP-APWZRJJASA-N 401.212 4.625 0 1 HJAF Cc1nc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587683815 PEXTVAWUOQVSRY-PWJLMRLQSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(CC(F)(F)F)s2)N1 587712010 ZGTKAMXIRVMWDB-UOWDBTKRSA-N 409.246 4.773 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1 587712246 KEMRCVHHJDQSHH-BCTVWOGZSA-N 419.216 4.505 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cn2)N1 587735776 VCZHQXHERPPASN-YEJXKQKISA-N 415.281 4.948 0 1 HJAF Cc1cccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587753035 HCKVDYGOPIRDAX-ZUOKHONESA-N 400.295 4.706 0 1 HJAF Cc1cc2c(cc1F)[C@@](CC1C(=O)CC(C)CC1=O)(c1ccc(Cl)cc1)NCC2 962144463 LEJKTCSDPCVFRP-LCGHWLJJSA-N 413.920 4.751 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccccc1OCc1c(C)noc1C)N(C)[C@H](C)C2 962642106 YKMSIHBFIAYUCJ-OYLFLEFRSA-N 422.525 4.853 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c[nH]c2ccc(Br)cc12 963643492 ZWAGGIHGAHQKNM-GIPWTMENSA-N 401.304 4.571 0 1 HJAF CO[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 1772575941 DFNCXHFRDZBFKJ-SHTZXODSSA-N 406.408 4.664 0 1 HJAF OC[C@@H](CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccccc1 1772606365 ZRTURDYOQZMSJM-LJQANCHMSA-N 412.497 4.547 0 1 HJAF O[C@H]1CCC[C@H](Nc2cccc(CNc3cc(Br)cc4[nH]ncc34)c2)C1 1857605060 QQUKXNJUDMMPDM-IRXDYDNUSA-N 415.335 4.653 0 1 HJAF O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1)c1ccc(Cl)cc1 1857614977 CQWIAJBEXDPOMY-UHFFFAOYSA-N 413.204 4.507 0 1 HJAF CC(=O)O[C@@H]1C(C)=CC[C@@H](O)C(C)=CCCC(C)=CC=C(C(C)C)[C@H]1OC(C)=O 2356427448 BEGZWCKKXIZDII-WXFUMESZSA-N 404.547 4.816 0 1 HJAF C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)C[C@H](O)C(F)(F)F)CC[C@H]12 4804019 JVSPILBDVWXPBS-RQRRPJBTSA-N 416.524 4.889 0 1 HJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)O[C@H](C)[C@H](C)C2=O 13382718 GDBZTZISXRIMID-HDMKZQKVSA-N 406.478 4.942 0 1 HJAF biogenic COc1cc2ncnc(N3CC[C@@H](Oc4ccc(C(C)(C)C)cc4)C3)c2cc1OC 14956436 FDQFJBXHRLSJAL-GOSISDBHSA-N 407.514 4.602 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 26391097 RYPMTHMHTXUIIA-ZUYAZALLSA-N 400.607 4.545 0 1 HJAF CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 27522088 PRROEJCMGFRHNK-MAUKXSAKSA-N 400.689 4.972 0 1 HJAF O[C@@H](CNCCc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 28958888 IVYVLKJUKLKWIR-QHCPKHFHSA-N 401.535 4.738 0 1 HJAF COc1c(OC)c(OC(C)=O)c2c(Sc3ccccc3)cccc2c1OC(C)=O 29310955 GTXGHVOPGVUYGY-UHFFFAOYSA-N 412.463 4.859 0 1 HJAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2)c1-c1ccc(C2CC2)cc1 43120277 IDACHXSMUMKIEZ-UHFFFAOYSA-N 418.516 4.995 0 1 HJAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1ccco1 45194565 VZEIFLCRYGHAOR-MRXNPFEDSA-N 402.903 4.900 0 1 HJAF COc1ccc(Cc2nnc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC 49807768 XTTKKUMUFSMCKC-DEOSSOPVSA-N 424.497 4.549 0 1 HJAF Cc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccc(Cl)cc3)CC2)o1 53296936 GPDHYPHJOFSYLS-UHFFFAOYSA-N 424.976 4.605 0 1 HJAF O=C(NC1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1 72101698 NPBCJEAMEBAOGW-QHCPKHFHSA-N 423.919 4.858 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@@H]1CC[C@H](C2)N1 73198255 MEFVQAOSGXKVKA-DYVFJYSZSA-N 408.548 4.575 0 1 HJAF COc1cc2nc(N3CCCC3)nc(NCCc3ccc(Cl)cc3)c2cc1OC 82127626 XGJRQNWPRIJCGB-UHFFFAOYSA-N 412.921 4.555 0 1 HJAF CC1(C)OC(=O)N(c2ccc(-c3nnc4cc(C#N)ccn34)cc2)[C@H]1c1ccccc1 147537720 ZXLZSNAZTNQJEY-NRFANRHFSA-N 409.449 4.744 0 1 HJAF CCOc1ccc(-n2c(O)c3n(-c4ccccc4)[nH]c(-c4ccccc4)c-3c2=O)cc1 169691803 AULHMUXEVWTUGT-UHFFFAOYSA-N 411.461 4.832 0 1 HJAF O=NC=C1C=CN(COCc2cccc(COCN3C=CC(=CN=O)C=C3)c2)C=C1 197785342 ZELPFFVEUYZSOQ-UHFFFAOYSA-N 406.442 4.621 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586915451 DFWAWADKWVDCEA-VOJFVSQTSA-N 420.694 4.590 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1C 586947662 YWYFOYUXVKVFBJ-UHFFFAOYSA-N 413.449 4.926 0 1 HJAF NCCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987308 MUYUSJAGRRNSMG-UHFFFAOYSA-N 405.457 4.732 0 1 HJAF CC(C)OC(=O)C1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC(F)(F)C1 587130160 FVCMTHUSRKVKDA-UHFFFAOYSA-N 412.742 4.733 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(C)cc1 587207068 QNICTZJREWJANK-AWEZNQCLSA-N 411.811 4.843 0 1 HJAF CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1 587402997 BSJBPIHHBYQYCT-AOUJKTHWSA-N 405.494 4.885 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1ccccc1OCOC)CC2=O 587487247 DYPHDIITSGBJTP-RUZDIDTESA-N 419.477 4.631 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1ccccn1)CC2=O 587492084 WPMJQXPZHBCPGT-VWLOTQADSA-N 419.477 4.631 0 1 HJAF C[C@@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570021 JYCIYXWEHNWJEZ-URXFXBBRSA-N 416.408 4.594 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)F)c2)N1 587720344 SSHOVWGEHBSZHY-MLCYQJTMSA-N 400.238 4.987 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2OC(F)(F)O3)N1 587723125 VNFKWZSSUMRZOX-VVVCHXIZSA-N 414.221 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC3CCCCC3)CC2)N1 587767702 JZRNOBBPFIVOSI-OAHLLOKOSA-N 409.387 4.994 0 1 HJAF CCC[C@H](CC1(c2nc3cc(N)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782328 SARNQUPBFGMSBO-GOSISDBHSA-N 406.530 4.902 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587791293 LIOOYPCTHFGXDP-CFMSYZGJSA-N 423.326 4.508 0 1 HJAF COc1ccc2c(c1)OCC([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 587834507 LBNCHELBLIMPGW-PRWKNARSSA-N 404.279 4.648 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(SC(=O)N(C)C)c2)N1 587845093 MUVIMCIEWZZFGF-ZMZPIMSZSA-N 423.351 4.986 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3sccn23)N1 587857959 WLPXMFAWEZKUPW-PWJLMRLQSA-N 414.731 4.749 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCc1ccccc1 587866291 IXFKODUGEDRABM-UHFFFAOYSA-N 419.472 4.933 0 1 HJAF COC(=O)c1cc(OC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OC 587944348 CYNYBKXJXGYUFU-UHFFFAOYSA-N 411.429 4.701 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@H]([C@@H]2CCc3[nH]c4ccc(F)cc4c3C2)N1)C(F)(F)F 962773489 WOKISBXBGMAJLF-UBWHGVKJSA-N 416.418 4.799 0 1 HJAF CC(C)(C)[C@]1(CC2(O)CCCCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974829 LPRCKGJUPZQXTE-QVKFZJNVSA-N 415.908 4.544 0 1 HJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(I)c(F)c1 963109216 UTGRGQANBZBPHD-KBXCAEBGSA-N 411.233 4.679 0 1 HJAF CCc1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(F)c1F 963175433 BOMANTHEOQPHHY-YVEFUNNKSA-N 419.777 4.888 0 1 HJAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2c(-c3ccccc3)cc3ccccn23)N1 963223328 AGBOZUADRAXHES-JWQCQUIFSA-N 419.484 4.843 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)[C@H](OC(C)=O)C[C@@H]32)C1 2356740979 ZMYMXBYZBJUFDF-XJANBNJQSA-N 418.574 4.708 0 1 HJAF CC1(C)[C@H]2c3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)c(O)cc3O[C@@]3(C)CC[C@@H]1[C@H]23 2356777470 WRBXVJKFKHACHK-METGYQBDSA-N 420.461 4.878 0 1 HJAF CSc1ccc(CN2CC[C@]2(C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1 61897969 PQCIRLJKGJOHMN-HXUWFJFHSA-N 408.489 4.708 0 3 HJAF Cc1ccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1 1489236 ZKEXYAFRYOEKTR-UHFFFAOYSA-N 408.401 4.667 0 1 HJAF CCCOc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1 13780395 SDWLRSYUNGCIFU-UHFFFAOYSA-N 415.505 4.571 0 1 HJAF COc1cccc(OC)c1OCCNCC1=Cc2ccccc2O[C@@H]1c1ccccc1 13799493 IFVRVNMRXMDJCL-RUZDIDTESA-N 417.505 4.890 0 1 HJAF C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c2oc(=O)cc(-c3ccccc3)c2c1O 14586007 RAIZTULKRWIEBV-KSSFIOAISA-N 422.477 4.580 0 1 HJAF biogenic Cc1cccc(NC(=O)[C@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 26951856 OEHMLOUHECZJOD-ZFTPDRLMSA-N 406.570 4.847 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 34802932 VWTHQXOQLJUENT-ZYLBBPIUSA-N 421.512 4.876 0 1 HJAF COc1cc(OC)c(-c2coc3c4c(c(OC)cc3c2=O)OC(C)(C)C=C4)cc1OC 35457154 CJWQYWQDLBZGPD-UHFFFAOYSA-N 424.449 4.679 0 1 HJAF biogenic Cc1ccc(NC(=O)[C@H]2CC[C@@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 36189268 FSHSFSWCXDGVQS-JUSLRPCQSA-N 406.570 4.847 0 1 HJAF CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3cccc(C(C)(C)C)c3)n2)c1 38268850 SRHQUTUDWRHGPB-UHFFFAOYSA-N 423.492 4.525 0 1 HJAF O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)c1ccc2c(c1)NCCO2 43018397 SVUIDENNICLVDR-UHFFFAOYSA-N 407.282 4.569 0 1 HJAF CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1 49109762 FSANJPXDEDAPHN-QIJLZVCCSA-N 405.311 4.811 0 1 HJAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3C(F)(F)F)C[C@H]1C=N2 49807757 IXCUOVPFOODIET-ZDUSSCGKSA-N 402.372 4.694 0 1 HJAF O=C(CCN1CCC(c2ccccc2)CC1)N[C@H](c1ccncc1)c1ccc(F)cc1 73224993 QEESXTDTHBXCMC-SANMLTNESA-N 417.528 4.696 0 1 HJAF C[C@](O)(c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1)c1ccccc1F 96168106 DVKCVJZCFKQWBB-DEOSSOPVSA-N 402.473 4.641 0 1 HJAF CN1CC2CCC1([C@H](NC(=O)c1c(Cl)ccnc1Cl)c1ccccc1)CC2 141541786 AXLOYHIDALTBFN-TUVDCLKLSA-N 404.341 4.734 0 1 HJAF CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 169729224 IRGZJOASCLJVTK-HTUFRPJOSA-N 421.537 4.512 0 1 HJAF CN(C)C12C[C@H](NCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 299811866 BUPIVROIGNEUGH-FCSYJFFPSA-N 403.614 4.680 0 1 HJAF O=C(O)CC[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329910 DNWGYWIYYWZPMU-ISKFKSNPSA-N 424.399 4.790 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncco2)[C@@H]1c1ccc(F)cc1 587332411 ADCIQNKENLFNCE-QPPBQGQZSA-N 401.393 4.822 0 1 HJAF COCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352767 XKPQEIOVNLFWDT-ZCYQVOJMSA-N 422.452 4.831 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2ccc(Cl)cc21 587373011 OVKPQZTZBQFCGP-SFHVURJKSA-N 406.663 4.720 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587475825 QCBYWQADBAQJGF-ZEQRLZLVSA-N 415.530 4.860 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)CC2=O 587481883 NEUWHXCJPKAVFA-JOCHJYFZSA-N 404.418 4.982 0 1 HJAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cccn1 587517830 VZXQZOSGUVYZHA-VWLOTQADSA-N 402.494 4.699 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CCCCC2)n1 587582617 QJHZEOYCDDQEIM-HYBUGGRVSA-N 404.466 4.876 0 1 HJAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600158 MFXXCNDTXJHHPV-ZHJWVTAZSA-N 402.446 4.925 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C 587699298 PXSTUHSGBVUVSF-QGRDJGHBSA-N 424.697 4.575 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(F)F)OC(C(F)F)=C2)N1 587719290 PZHPSTVELJMRKG-SSDOTTSWSA-N 410.180 4.646 0 1 HJAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587739498 HLIVHLHQYZIPLJ-ASSNKEHSSA-N 421.354 4.672 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccn3)n2)N1 587852129 KMASFGAOGXTQGQ-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(C)ccc1F 587868667 QZLXUYLSJXIZIA-UHFFFAOYSA-N 410.396 4.665 0 1 HJAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccnc2)on1 621476470 XZVHEQANRCOQQA-UHFFFAOYSA-N 414.252 4.541 0 1 HJAF COc1cccc2cc3c(nc12)[C@]1(CN(Cc2ccccc2)[C@H](C)[C@@H](C)[C@H]1C)NCC3 963045442 FQJOTAGDOARLGV-FSFJLABTSA-N 415.581 4.761 0 1 HJAF O=C1c2ccccc2[C@@]2(NCCc3ccc(O)cc32)[C@@H]1c1ccc(Br)cc1 963352956 NURKEPRHVBUXKI-GGAORHGYSA-N 420.306 4.524 0 1 HJAF COc1ccc(-c2cc3c(c(OC)c2)SCCN(C(=O)C2CC2)C3)cc1Cl 1772597195 SVMBZSOPRODYPA-UHFFFAOYSA-N 403.931 4.869 0 1 HJAF CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4C)c3c2)cc1 13607590 DFFMMBXYEZXXOU-HXUWFJFHSA-N 411.571 4.729 0 1 HJAF CNC(=O)c1cc2c(Oc3ccc(-c4noc(C(F)(F)F)n4)cc3)cncc2s1 13864421 LBYIVNYUBVIWHZ-UHFFFAOYSA-N 420.372 4.517 0 1 HJAF O=C1NC[C@@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccc(F)cc1)CC2 13982642 VIUIHCNTOLSYJT-TZRRMPRUSA-N 406.545 4.848 0 1 HJAF COc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@@H](c3ccco3)CC4=O)n2)cc1 21365652 GFRXRERCUFWRAV-CQSZACIVSA-N 418.474 4.680 0 1 HJAF CC1(C)CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21 28886374 FIWWFDLSIXYQPE-JOCHJYFZSA-N 423.988 4.881 0 1 HJAF CCC(CC)(c1ccc(OC(=O)N2CCOCC2)cc1)c1ccc(N(C)C(C)=O)cc1 28950183 KMHXLZXJZDOMDQ-UHFFFAOYSA-N 424.541 4.606 0 1 HJAF Cc1cccc2c(=O)[nH]c(C3=C[C@@H](N4CC=C(c5ccc(F)cc5)CC4)CC3)nc12 28954725 AHSJHFVRKREMRT-NRFANRHFSA-N 401.485 4.706 0 1 HJAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CCC(=O)[C@@]4(C)OC(C)=O)[C@@H]3CC[C@@H]2C1 33648859 VQRXERHIFBGNDD-WECKHCMWSA-N 418.574 4.852 0 1 HJAF biogenic COc1ccc(Cc2cc(OC)c(OC)cc2Br)cc1Br 53297761 KCTDKNZCSAJPDJ-UHFFFAOYSA-N 416.109 4.828 0 1 HJAF O=C(Cc1ccccc1C(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1 71330208 HMCNLUVYLFYQRB-UHFFFAOYSA-N 421.444 4.766 0 1 HJAF CC(C)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@H]1CCCO1 82179002 RVJAGTIRASATEH-MRXNPFEDSA-N 419.451 4.760 0 1 HJAF Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccc(C(=O)O)c4)c(C)c3cc2c1C 95583675 FYTBWSGXGAHVOT-UHFFFAOYSA-N 419.433 4.734 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](CCC(=O)O)(C3)C2 101068392 HHSFEYNQHTXPDX-ZZCFBSKLSA-N 419.949 4.673 0 1 HJAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@H]2C)OCO4)cc1 105520930 WFBVRMMXMLCJRR-FOMAEQEMSA-N 404.466 4.527 0 1 HJAF O=S(=O)(c1cccnc1)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1 115228752 BLOZQVRRYXVGLD-UHFFFAOYSA-N 416.474 4.970 0 1 HJAF CN(Cc1cn([C@@H]2CCCC[C@H]2OC(=O)Cc2ccccc2)nn1)CC1CCCCC1 142131748 OOKVRGNCLFDODQ-DNQXCXABSA-N 424.589 4.560 0 1 HJAF O=S(=O)(NCC1CC1)c1ccc(NC2CCCCCCC2)cc1C(F)(F)F 143529852 FIWCMRNPANJURR-UHFFFAOYSA-N 404.498 4.919 0 1 HJAF CN1CCCN=C1c1ccc(-c2ccc(-c3ccc(C4=NCCCN4C)cc3)o2)cc1 377858600 GZZSJGUKEVHIRS-UHFFFAOYSA-N 412.537 4.778 0 1 HJAF NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2C2CCCCC2)cc1 473107697 JWBFUKIJOWKJLJ-VZCXRCSSSA-N 419.597 4.663 0 1 HJAF CCOC(=O)C(F)(F)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 586992541 HBBZLAOJUCETCP-ZDUSSCGKSA-N 407.416 4.668 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(N)c(N)cc4[nH]3)c(Cl)cc12 587078014 FEUJYKINUOHRHR-SNVBAGLBSA-N 412.877 4.580 0 1 HJAF COC(=O)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110459 XVYZHGCPLCTWAT-UHFFFAOYSA-N 402.294 4.978 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587113658 RRTHZUSQNBXRHR-NRFANRHFSA-N 401.432 4.860 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2N1 587126049 JOMFZVSJEGPIAB-RDDDGLTNSA-N 405.302 4.633 0 1 HJAF Nc1cc2c(cc1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327828 HRXZKAZSGTYJEP-GMAHTHKFSA-N 409.844 4.968 0 1 HJAF C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333392 VGKRQZAKPFFKLT-UNMCSNQZSA-N 423.831 4.502 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CN(C(c4ccccc4)c4ccccc4)[C@@H]1C)[C@@H](C2)C3=O 587439101 TVAOAIZMPAEFDA-LGKCOBPISA-N 411.501 4.675 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1Cl 587541905 GSTYFELJRIBOPI-LAUBAEHRSA-N 412.825 4.766 0 1 HJAF COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593763 DVZQREDOPOMFEC-ZJSXRUAMSA-N 406.434 4.510 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(-c3ccccc3)n2)N1 587754839 NCYHHQHAIALTQD-CWTRNNRKSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2-c2ccccc2)N1 587755884 BGVXZFDSFYJYKV-ZUOKHONESA-N 400.295 4.572 0 1 HJAF COc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587805335 FZQBDWKXIYAZEA-FKIZINRSSA-N 408.311 4.685 0 1 HJAF COc1ccc2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587807471 XFZXMKCLZHRSBG-BIBXISHDSA-N 403.295 4.876 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN[C@@H](C)c1ccccc1 587863884 CWUXYWKLDAMJKH-HNNXBMFYSA-N 417.431 4.959 0 1 HJAF CN(C)[C@H](Cn1c(O)cc(-c2ccccc2F)c1O)c1cccc(Br)c1 587940948 OJFPTMJNFWRAER-GOSISDBHSA-N 419.294 4.771 0 1 HJAF O=C1Nc2c(ccc(Cl)c2Cl)[C@@]12c1ccsc1CCN2Cc1ccco1 962707633 NXANEOLJZIUPQR-IBGZPJMESA-N 405.306 4.902 0 1 HJAF CC(C)c1nn(C)c2c1[C@](CCCCCCC(=O)O)(c1ccc(F)cc1F)NCC2 962921654 PGORNDPJJQFPKV-QHCPKHFHSA-N 419.516 4.636 0 1 HJAF CCCc1ccc([C@]2(c3cccc(OC(C)=O)c3)NCCc3c(C)ccnc32)cc1 963070963 IINBOVQGTVIJOA-AREMUKBSSA-N 400.522 4.705 0 1 HJAF Fc1ccc(Nc2nc(=NCc3cccs3)nc(Nc3ccc(F)cc3)[nH]2)cc1 1772623596 IRHWQMWLFYHRBM-UHFFFAOYSA-N 410.453 4.733 0 1 HJAF COc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](CC(C)C)N3C2=O)cc1 1911578267 IAZBBHYVQSVMAS-YADHBBJMSA-N 417.509 4.653 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](C=COC(=O)C=C(C)C)[C@](C)(CCC=C(C)C)C[C@@H]2O 2356594558 DOUGJCUAIIVOOP-DEJKCJRPSA-N 416.558 4.818 0 1 HJAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@H](C(C)(C)O)CC[C@]2(C)C=C[C@H](C)C1 2356654123 OGZZCBZNOLKSNJ-UQDXZEGOSA-N 406.563 4.586 0 1 HJAF CCC1=C(C[C@@H]2NCCc3cc(OC)c(OC)cc32)C[C@H]2c3ccccc3CCN2C1 13099122 GAUYNTGXYGJOSH-DQEYMECFSA-N 418.581 4.990 0 1 HJAF CC1(C)C[C@H](NC(=S)NCc2ccccc2)c2cc(Br)ccc2O1 13608360 IQMRTGYHVNXAEP-INIZCTEOSA-N 405.361 4.716 0 1 HJAF CCCCOc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862169 JQXOEUXIFQGEQK-UHFFFAOYSA-N 416.473 4.765 0 1 HJAF O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 38192613 IAMSOYSVSFMFLR-HXUWFJFHSA-N 417.340 4.818 0 1 HJAF CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1F)C(C)C 39254119 SHVHRVGBHKJGFB-UHFFFAOYSA-N 407.618 4.567 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(C)cc2C(=O)O)cc1 40899087 BPRDFQUYOSMPDD-UHFFFAOYSA-N 416.477 4.899 0 1 HJAF Cn1cc(CN2CCC[C@H](COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1 45193790 HGOVRFKKNGWZRJ-SFHVURJKSA-N 411.496 4.717 0 1 HJAF CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1 64746290 URQRWNUEBLHZRQ-UHFFFAOYSA-N 403.913 4.638 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)cc1 82179277 AOBGORLUUVBCFK-QGZVFWFLSA-N 405.527 4.654 0 1 HJAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179319 ORFVXFHDNJLCHB-IBGZPJMESA-N 415.541 4.739 0 1 HJAF CC(=O)Cc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1 96167780 XKMURGDFGPOBSY-UHFFFAOYSA-N 419.872 4.629 0 1 HJAF CCOCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1 103239805 VZUCBESJXRUTIS-UHFFFAOYSA-N 400.523 4.796 0 1 HJAF FC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3CCOCC3)c2)n1 145245997 WFLHHCFLCSFVFI-UHFFFAOYSA-N 400.404 4.743 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1C 145337037 DASBYWOIZHXMEC-HXUWFJFHSA-N 402.479 4.515 0 1 HJAF C[C@@H](N)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 149973807 KNBUMEMKNDWQDV-SECBINFHSA-N 415.312 4.898 0 1 HJAF C[C@@H](C(=O)CN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1 169295084 USIACVWKSQEQGG-ZAOYMGCJSA-N 423.463 4.635 0 1 HJAF O=C1C[C@](COc2ccccc2)(c2ccccc2)OC(=O)[C@@H]1SCc1ccccc1 169684737 HEFDPXRBVWPAOK-NOZRDPDXSA-N 418.514 4.779 0 1 HJAF COc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1 169699766 IFCXCRTUHBCYNN-UHFFFAOYSA-N 411.465 4.852 0 1 HJAF CCCCOc1cc(Br)cc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211007466 DINNAAWXEMSKSY-UHFFFAOYSA-N 422.319 4.797 0 1 HJAF COc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3C=Cc3ccccc32)cc1 473155140 PHHHHYGUVGPBLS-QHCPKHFHSA-N 417.530 4.616 0 1 HJAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 586882163 KYQIAWRKSJCTGV-AATRIKPKSA-N 422.076 4.853 0 1 HJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587038667 AUABXUFBHXGZGR-JTQLQIEISA-N 424.395 4.595 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@@]2(Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)C1 587106036 LAHKJJVEXREMML-AREMUKBSSA-N 412.489 4.881 0 1 HJAF N[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587156401 NBVQOFWNSKSTRJ-QFYYESIMSA-N 414.200 4.825 0 1 HJAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)c(Cl)c1 587159976 ZZDDTWYVSBEKBQ-AWEZNQCLSA-N 418.906 4.891 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171031 HYDLSFIPTFSQOL-CQSZACIVSA-N 421.563 4.628 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)c1 587231580 BXXDLTJGMNFADJ-UHFFFAOYSA-N 413.374 4.737 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587233290 LXIUXCNVCKZWMF-UWVGGRQHSA-N 420.382 4.773 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@H]2Cn2cncn2)[C@@H]1c1ccc(F)cc1 587345134 YLIQQCXDBYBIFL-YJGRUCBDSA-N 421.472 4.501 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346033 KXHHKPGKUYGDEC-ISKFKSNPSA-N 405.425 4.610 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccn1)(c1ccc(Br)cc1)O2 587373363 UKUAEJYETQHBIC-JOCHJYFZSA-N 423.310 4.838 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCC(C(=O)OCC)(c3ccncc3)CC1)CC2=O 587488369 JCACKXNOXYLUIQ-UHFFFAOYSA-N 423.509 4.519 0 1 HJAF Cn1cc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587504124 FVTCATUFDFCELZ-RUZDIDTESA-N 403.453 4.765 0 1 HJAF COCOc1cccc([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515810 RWKMJQGTYPTJKY-AREMUKBSSA-N 415.489 4.852 0 1 HJAF COC(=O)c1sccc1O[C@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587533580 XPZNCNTVMZBLOI-DMZKTXOQSA-N 400.496 4.605 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)nccc21 587552300 PUYYOHITBGUBDK-WIYYLYMNSA-N 406.825 4.635 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccnc1Cl 587552762 SJCJGHOMYCAVFP-SIKLNZKXSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1C1CCCC1 587589072 SZOJOPYVRZQFGG-NRILOXMTSA-N 405.494 4.662 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611466 IYPXOHGGEFVLAS-NQIIRXRSSA-N 422.506 4.850 0 1 HJAF C[C@@H]1[C@@H](NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCC[C@H]1C 587661640 QBYJMFGTTUBEKP-SIFCLUCFSA-N 409.530 4.750 0 1 HJAF CCOc1ccc(-c2nn(-c3ncccc3C)c(=O)c3ccccc23)cc1OCC 587670496 ZGZMGHNKQCCKRG-UHFFFAOYSA-N 401.466 4.554 0 1 HJAF Cc1ccn2c(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nc2c1 587773044 HLJSSSROOBUHLR-YUNKPMOVSA-N 402.311 4.650 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc2sc(C)c(C)c12 587869378 IJLVVPDQZHLIFF-UHFFFAOYSA-N 419.432 4.892 0 1 HJAF CC(C)(C)Oc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962669876 PLFQHTLTYGPQMF-PXDATVDWSA-N 404.510 4.600 0 1 HJAF COCc1cc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)ccc1OC 962697951 IPKNWNNJVLDGSB-FDDCHVKYSA-N 401.547 4.608 0 1 HJAF O=C(O)c1cccc2c1CCN[C@]2(CCc1cc(F)c(F)c(F)c1)c1ccccc1 963119187 CXDTWOSJZZNHGI-XMMPIXPASA-N 411.423 4.824 0 1 HJAF Fc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1I 963121558 NMLYYUKRGDYEPM-HNNXBMFYSA-N 422.068 4.972 0 1 HJAF COc1cc(Nc2ncc(-c3ccccc3N(C)C(C)=O)o2)ccc1-c1cnco1 3594928 AYJBNLVGCXRXRA-UHFFFAOYSA-N 404.426 4.732 0 1 HJAF COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 5071302 BAJQCJWDWFCNIW-QFIPXVFZSA-N 408.542 4.713 0 1 HJAF O=C1Nc2ccc(O)c3c2[C@]1(CCCCN1CC=C(c2ccccc2)CC1)CCC3 13473724 NPUZNBQJTXDJJT-SANMLTNESA-N 402.538 4.878 0 1 HJAF CN(CC[C@H]1CN=C(c2ccccc2)c2ccccc2N1C)C(=O)c1cccs1 13525962 CKGHAUDWGMFVJT-IBGZPJMESA-N 403.551 4.566 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26391100 RYPMTHMHTXUIIA-JJZNMPMXSA-N 400.607 4.545 0 1 HJAF CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1N1CCOCC1 40422252 YEYHRSFDDXMFJI-UHFFFAOYSA-N 402.494 4.737 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CSC)CC3=O 45245366 BIVKODIIFDSGPP-ZDUSSCGKSA-N 400.496 4.627 0 1 HJAF O=C(O)c1cc(-c2ccc(O)cc2)c2c(-c3cccnc3)nn(-c3ccccc3)c2n1 73224719 BPSASHTZTCKLOE-UHFFFAOYSA-N 408.417 4.553 0 1 HJAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184593 VZTASROAWKJZCN-QGZVFWFLSA-N 419.504 4.570 0 1 HJAF Clc1ccc2c(Nc3cccc([C@@H](c4nnn[nH]4)N4CCCCC4)c3)ccnc2c1 96922041 HNRNIYLRWXIUKF-NRFANRHFSA-N 419.920 4.720 0 1 HJAF C[C@@]1(C(F)(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc2O1 143387352 DIWPNCHKAKJKPM-UZLBHIALSA-N 419.403 4.538 0 1 HJAF Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 261173487 UGSQUXYEAXCLHB-PCKJTKGYSA-N 406.570 4.847 0 1 HJAF Cc1ccc(-c2cc(C(=O)NCc3cccnc3)nn2-c2ccc3ccccc3n2)cc1 299825600 MUWLNIWTEBAHJC-UHFFFAOYSA-N 419.488 4.721 0 1 HJAF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccc(Br)cc1 299848888 UWLPFYFVDIOLHY-NRFANRHFSA-N 408.299 4.749 0 1 HJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587075666 KOIXWBIPAMNBQP-UHFFFAOYSA-N 413.190 4.791 0 1 HJAF COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587394258 RYGGNDIGLJCFPA-OAQYLSRUSA-N 413.477 4.915 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c3c(c1)OCO3)CC2=O 587459088 MSJBUXZNQTUFGB-MRXNPFEDSA-N 405.244 4.542 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)CC2=O 587465267 GFHZSCUNMLEPPG-WHIOSMTNSA-N 417.452 4.882 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1CCOc1cccc(OC)c1)CC2=O 587469461 FGJDAHLPXHOEQU-DEOSSOPVSA-N 421.493 4.940 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2ccc(F)cc21 587470732 HPGJWUSYJANUEV-FQEVSTJZSA-N 419.246 4.973 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)(c3ccccc3)CC1)CC2=O 587476973 CXYWHOIOHGYGEX-UHFFFAOYSA-N 408.494 4.734 0 1 HJAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1Br 587497645 DIJIUKRPFICAFP-OAQYLSRUSA-N 416.315 4.799 0 1 HJAF CN1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 587514908 QIIDIEYYBHANGL-AREMUKBSSA-N 403.522 4.673 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1cccc(Br)c1 587538247 DRPMSLYSTFAWII-MOPGFXCFSA-N 411.251 4.728 0 1 HJAF CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587575140 BEWZZUJBGWKCJY-URXFXBBRSA-N 403.434 4.536 0 1 HJAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC 587611560 GJGPKNIFJONBRT-NFBKMPQASA-N 408.475 5.000 0 1 HJAF Nc1sc2c(c1[C@@]1(C3CC3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 587619005 QFXAPDLFBTUOOM-GBXCKJPGSA-N 419.502 4.792 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1 587713751 UNZFIOJHLVDIOA-XXFAHNHDSA-N 419.216 4.548 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743147 VXRNUSAKSKCHRC-ASSNKEHSSA-N 421.354 4.672 0 1 HJAF Cc1ccccc1-n1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757198 GFNQZVCYLUNWPI-ZUOKHONESA-N 400.295 4.706 0 1 HJAF CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812490 ZOLRYMMMJVGQEZ-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1Oc1ccccc1 587814481 ZTKZPPQALKPTGH-ODVVLEEXSA-N 420.322 4.574 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccnc3)s2)N1 587857312 ZOZBOALWPCWCGX-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(N(CC)CC)n1 587865553 BDKUQRSNBZJZEI-UHFFFAOYSA-N 405.424 4.593 0 1 HJAF COC(=O)c1cc2[nH]c([C@H](c3ccccc3)c3ccc(OC)cc3)nc2cc1OC 587938678 YOLPJYXBPOXYEM-JOCHJYFZSA-N 402.450 4.547 0 1 HJAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F 587945568 OGVYORIORPZGHK-ZIFCJYIRSA-N 416.541 4.942 0 1 HJAF O=C(O)C1=COc2cc(Cl)ccc2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962671650 SAABBXZMFGWGBV-XMMPIXPASA-N 403.865 4.757 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(Br)cc1)C(C)C 963631247 CHLHJWLOBQFBQU-SPLOXXLWSA-N 404.348 4.900 0 1 HJAF CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 1857647099 HVTXLPYMZKCXHD-UHFFFAOYSA-N 418.537 4.907 0 1 HJAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356320279 SICLGLNLBXTMLQ-ZRBLBEILSA-N 413.606 4.597 0 1 HJAF CCCNC(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3ccc(OC)cc3[nH]2)C[C@@H]1C(C)C 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4.636 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587150223 BJEQGVLVGFYVPQ-GHMZBOCLSA-N 407.214 4.661 0 1 HJAF Fc1ccc(I)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587183354 XQTLCHZLVJZBOC-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1Cc1ccc(Br)cc1 587207487 FQQUXMQCZFZUAU-UHFFFAOYSA-N 405.299 4.711 0 1 HJAF Cc1ccc(NC2(c3nc4cc(I)cnc4[nH]3)CCCC2)cc1 587236863 GRKNHDYKPHJMNH-UHFFFAOYSA-N 418.282 4.752 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)O2 587383126 QTFXAYRJPFVQFC-INIZCTEOSA-N 417.387 4.828 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OC(F)(F)F)O2 587384284 ZNMQFLINAOMDHE-HNNXBMFYSA-N 416.193 4.945 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CCC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587401638 UWADDOBSPLUQNB-XMZFGDCGSA-N 420.509 4.635 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@@H](CC)C(=O)OCC)CC2=O 587480576 DSRHHKKTLKENCC-RBBKRZOGSA-N 412.482 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2ccccc21 587486301 KLMDULYCZVDTOB-ZEQKJWHPSA-N 414.457 4.908 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1OC(F)F 587558313 WJFXRGQRCGGJHP-XLIONFOSSA-N 402.324 4.836 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2c(Cl)ncnc2Cl)N1 587704571 JKASGMRRMPOEMQ-WPPNPWJKSA-N 405.098 4.503 0 1 HJAF CCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587717865 GVUSXQCZNWCZMH-RFAUZJTJSA-N 420.248 4.837 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1 587773611 QZECVSOIWUXBAC-XUSGNXJCSA-N 413.290 4.979 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587831242 HOKUJANASRRYJU-XUSGNXJCSA-N 420.322 4.936 0 1 HJAF CC(=O)OCc1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587847896 MMIURQFAEPPMDG-XTZNXHDOSA-N 412.324 4.511 0 1 HJAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946828 XOANOHLBSHCPKN-UHFFFAOYSA-N 414.440 4.860 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(C)c1cn(Cc2cnc(Cl)s2)c2ccccc12 963068449 LHIVLYBHEGLYPK-QFIPXVFZSA-N 408.958 4.912 0 1 HJAF COc1cccc(OC)c1[C@@]1(c2cnccc2C)c2c(F)cccc2C[C@H]2CCCN21 963111133 WHGARPJGQIRPKZ-NIYFSFCBSA-N 418.512 4.859 0 1 HJAF COc1cccc(Sc2ccc(NC(=O)CSc3nc(C)cc(C)n3)cc2)c1 1857595095 PTFNAVCVYOASHT-UHFFFAOYSA-N 411.552 4.984 0 1 HJAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC4CCC4)C=C3C)[nH]c2c1 2356318316 FZZCXHLOYQRFJE-IRFCIJBXSA-N 409.574 4.889 0 1 HJAF CC1=C(CCC(=CC[C@@H]2OC(=O)C=C2CO)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 2356562229 QJXKKRHELODLFT-FBLLAGFSSA-N 402.575 4.862 0 1 HJAF CC(C)=C[C@@H]1CC(=CCCC(C)=CCCC(C)=CC[C@@H](O)C2=CC(=O)OC2)C(=O)O1 2356726026 VKOBTBGPXFPMMX-DHIUTWEWSA-N 414.542 4.882 0 1 HJAF CCOc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)[nH]n2)c(C)c1 61905016 CJMOXSZVFRYBCO-UHFFFAOYSA-N 403.404 4.733 0 3 HJAF FC(F)(F)c1cccc(-c2cc(NCCCn3ccnc3)nc(-c3ccncc3)n2)c1 16079700 GNEVZOUYDZZPMQ-UHFFFAOYSA-N 424.430 4.923 0 1 HJAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(C(F)(F)F)c1 26577201 NZSMHVGBSNDKDO-MRPLLJTBSA-N 416.421 4.771 0 1 HJAF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1C(F)(F)F 38798231 ITAJXWHXKVYGCF-UHFFFAOYSA-N 417.412 4.784 0 1 HJAF CC[C@H]1CCN(C)[C@H](Nc2c(-c3nc4ccccc4[nH]3)c(=O)[nH]c3ccccc23)C1 40953103 TVMVUMUJXVSING-YWZLYKJASA-N 401.514 4.561 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 40957680 WFKXCGWVYJNIRE-UPVLQPKCSA-N 404.547 4.580 0 1 HJAF COc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1F 64415749 KQURGGHNEBEDPJ-UHFFFAOYSA-N 421.266 4.682 0 1 HJAF O=C(Cc1ccc2c(c1)OCO2)Nc1ccccc1COc1cccc2scnc12 64539313 LIFRYEFMEIRECE-UHFFFAOYSA-N 418.474 4.785 0 1 HJAF O=C(N[C@@H](CSCc1ccc2ccccc2c1)C(=O)O)c1ccc2ccccc2n1 84670250 QYYOUKDEYFMXAX-QFIPXVFZSA-N 416.502 4.504 0 1 HJAF CO[C@@H]1O[C@@]2(OC)C=C[C@@H](C)[C@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2/C(C)=C\CC=C(C)C 142552950 LFEUVENANNYFTC-GEALGKINSA-N 404.547 4.641 0 1 HJAF CC1(C)c2cc3c(cc2C(=O)N1CCC1CCN(Cc2cccc(F)c2)CC1)OCO3 206550572 KOMHSVJXJNYXNC-UHFFFAOYSA-N 424.516 4.548 0 1 HJAF CC(C)(NC(=O)c1ccc([C@H]2CCCO2)c(-c2cccc(Cl)c2)n1)c1ncco1 206697185 JPLIOCNOVARHTH-GOSISDBHSA-N 411.889 4.907 0 1 HJAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@@]21C 238749237 JXAWKPXWXJLUMA-YVPIJICJSA-N 416.558 4.795 0 1 HJAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)C 586933439 ROTHGLSEZCRRHX-OAQYLSRUSA-N 415.559 4.559 0 1 HJAF C[C@@H](Oc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1)C(=O)O 586990431 XNAFXYPPZGKMNT-CYBMUJFWSA-N 411.413 4.671 0 1 HJAF COC(=O)c1cccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c12 587143389 FOSGFRATIHQUSG-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(F)cc1 587170360 ALVCAQZIULJZCY-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF COc1cc(F)c2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334210 LTMSUSWMKUSONC-VWNXMTODSA-N 408.400 4.880 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587348558 DLDYZDSNYAYEFG-NOZRDPDXSA-N 420.436 4.959 0 1 HJAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587350937 LWXDFNQYOJRWDE-UPVQGACJSA-N 408.425 4.823 0 1 HJAF COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352420 OHJLPSTTXHUHIW-XUZZJYLKSA-N 406.409 4.592 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 587485824 KXAQLXIVRHGXGE-UHFFFAOYSA-N 415.530 4.860 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(Cl)cc3c2=O)N1 587692947 CJKYVQVXFTZKHR-LZVRBXCZSA-N 422.681 4.972 0 1 HJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587793223 QWXUINWFUWNNPS-MGNBDDOMSA-N 404.283 4.544 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798121 NWPMRUNCDXYSGJ-SPLOXXLWSA-N 420.322 4.546 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)nc3sccn23)N1 587857040 PAZFIZDLUDBLMS-XXFAHNHDSA-N 406.324 4.798 0 1 HJAF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1n[nH]c(-c2ccccc2F)n1 587945851 OTZZNBIXISXSRF-UHFFFAOYSA-N 410.836 4.739 0 1 HJAF CCc1cccc(C(=O)Nc2cccc(Nc3ccnc(NC(=O)C4CC4)c3)c2)c1 653852834 PVEWZZQGPHDGHI-UHFFFAOYSA-N 400.482 4.988 0 1 HJAF O=C(Nc1ccnc(F)c1)C1=NN(Cc2ccc(Cl)cc2Cl)[C@@H]2CCCC[C@@H]12 1772620179 GMKWRLUSDILWKC-NVXWUHKLSA-N 421.303 4.897 0 1 HJAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(CC)s3)N2C1=O 1857772919 MHKSTLAWFJQTLC-NQIIRXRSSA-N 407.539 4.870 0 1 HJAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356586545 DVURAWKKNXOYHO-IBGZPJMESA-N 424.965 4.999 0 1 HJAF COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(C(=O)O)cc2)s1 15936914 PNUSOQSXNOJTHW-UHFFFAOYSA-O 418.498 4.846 0 3 HJAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O 773350 CUNQDEORRYQIQP-MOPGFXCFSA-N 424.472 4.580 0 1 HJAF Cc1csc(C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C)n1 3588081 YRJMZLJGDWHBQG-UHFFFAOYSA-N 421.522 4.691 0 1 HJAF c1ccc(-c2nc3c4ccccc4nc(NCCCN4CCCCCC4)n3n2)cc1 6805409 IFHLCMRBEYHOKN-UHFFFAOYSA-N 400.530 4.623 0 1 HJAF O=C(NCCCCc1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2C1 13589141 UYKANEGLIQPFEV-UHFFFAOYSA-N 414.549 4.703 0 1 HJAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)c3ccccc3)nc21 26470930 QXIBEQIHZOISKR-GOSISDBHSA-N 422.920 4.950 0 1 HJAF COc1cccc([C@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)c1 29130770 ORQKFLSKZYBUNE-DEOSSOPVSA-N 409.551 4.648 0 1 HJAF O=C1N(CCCCCCOc2cccc(Br)c2)CCN1c1ccncc1 29396113 HSOANUXDIXWHDP-UHFFFAOYSA-N 418.335 4.726 0 1 HJAF CN(C)Cc1cccc(CNC(=O)c2sccc2OCc2ccc(Cl)cc2)c1 45189087 DJCYJOYTDJCYSG-UHFFFAOYSA-N 414.958 4.972 0 1 HJAF Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3OC(F)(F)F)c(C)c12 72112350 JWUFFURPSKRHTA-UHFFFAOYSA-N 411.815 4.585 0 1 HJAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(F)cc3)n2)C1 82140945 LZPOVGGXTODSDQ-QZTJIDSGSA-N 418.516 4.695 0 1 HJAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c(F)c3F)c3c(N)nccn32)C1 100618796 FWPDHEGEIREWNE-VIUNLEPASA-N 422.435 4.677 0 1 HJAF COc1ccc(OC)c(C2=C(C)CN(C(C)(C)c3nc4ccccc4s3)C2=O)c1 103176576 OHQVHDBEEDOLOM-UHFFFAOYSA-N 408.523 4.865 0 1 HJAF O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccc(F)cc1 116762523 KFFOPGCTPMYPIW-UHFFFAOYSA-N 401.235 4.815 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167574161 JXRMUCFYWOMUCA-MAUKXSAKSA-N 423.538 4.640 0 1 HJAF CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C 299875145 CNVZMCFLYWWKLS-AZUAARDMSA-N 406.578 4.650 0 1 HJAF FC(F)(F)c1nn(CCc2nc3cc4ccccc4cc3[nH]2)cc1Br 587118561 OVOWPNNFGDOSSN-UHFFFAOYSA-N 409.209 4.937 0 1 HJAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)cnc3[nH]2)cc1 587165652 IEMFDKJMYAGOGG-UHFFFAOYSA-N 402.408 4.574 0 1 HJAF O=S(=O)(c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1)C(F)(F)F 587174056 DYJJEXFQAHAUGN-UHFFFAOYSA-N 417.771 4.797 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1coc4ccc(O)cc14)[C@@H](C2)C3=O 587429511 VPNKSXIDRVCZJJ-DFBJGRDBSA-N 416.404 4.977 0 1 HJAF CCN(CC)C(=O)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587505510 MPISBMUVUMCCKJ-SANMLTNESA-N 421.537 4.693 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccn1 587590519 YTKSCMYMAAURTK-JYFHCDHNSA-N 409.441 4.887 0 1 HJAF O=C(Cc1c[nH]c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658067 JTWJYHQJNGYICX-UHFFFAOYSA-N 415.399 4.706 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2cc3c(cc2s1)OCO3 587663221 YBEQDMWOEBSGBC-UHFFFAOYSA-N 417.421 4.530 0 1 HJAF Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587755405 PGLSMZDRVJJONO-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF CC(C)n1ncc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc21 587757182 GESPTEYFQDJUGT-BBATYDOGSA-N 403.299 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C[C@H]2C)N1 587758287 CTAVYMYMWJLFGH-XCGNWRKASA-N 417.366 4.860 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(=O)OC(C)(C)C)N1 587759201 ZNNZKKWDGJQGTP-GTNSWQLSSA-N 409.299 4.797 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)C2)N1 587769745 PTHBMIACUNEUPW-QVKFZJNVSA-N 403.339 4.614 0 1 HJAF Brc1c[nH]c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2n1 587783386 AGDKLZWSOZDAOF-FLIBITNWSA-N 407.271 4.816 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587829639 RSMBFBCRGFEFCS-LHSJRXKWSA-N 420.322 4.848 0 1 HJAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C)c2)NCCc2cnc3c(OC)cccc3c21 963034106 LKXCBXVTYLGKGI-RLWLMLJZSA-N 418.537 4.530 0 1 HJAF O=C1N(Cc2ccccc2F)c2ccccc2[C@]12c1c(F)cccc1C[C@@H]1CCCN12 963098421 GQQMKZWDUGTGJS-SIBVEZHUSA-N 416.471 4.776 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(Br)c(C)c1)C1CC1 963629400 BFHJHJXUSGROFA-JLCFBVMHSA-N 416.359 4.963 0 1 HJAF Cc1cccc(F)c1CN1C[C@H](c2ccc(N3CCC(C)CC3)cc2)[C@@H](N(C)C)C1 1772643459 WGWFQALLKHTYFQ-RSXGOPAZSA-N 409.593 4.900 0 1 HJAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CCc3ccc(Cl)cc3)cn2)c1 1857765653 GZXPKAXVXDWSMT-UHFFFAOYSA-N 418.810 4.645 0 1 HJAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@]12OC(=O)C(C)=C2O)CCCC1=CCOC1=O 2356398734 AWERMEJPIQQCKA-YNPQUKCOSA-N 412.526 4.952 0 1 HJAF C[C@]1(C(=O)NCC2CCCCC2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61904485 BNDIWESERITRMT-AREMUKBSSA-N 404.554 4.584 0 3 HJAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 2486545 XZNNJEBWVMYAGB-JOCHJYFZSA-N 408.542 4.867 0 1 HJAF CCOC(=O)c1c(O)n(C(=O)Nc2ccc(C)cc2)c2cc(C(F)(F)F)ccc12 4654959 YMEXYIFTFLKKQK-UHFFFAOYSA-N 406.360 4.931 0 1 HJAF biogenic,in-vitro C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCI)[C@@H]1CCC2=O 14947036 YFNOWJDURKUMMD-GIYDNNGJSA-N 424.322 4.813 0 1 HJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2F)O1 29408809 KBXLOWLAFZODNL-HUUCEWRRSA-N 413.272 4.711 0 1 HJAF O=C(Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1)OCc1ccccc1 40876513 NKEFSVLJXCEEQY-UHFFFAOYSA-N 419.868 4.847 0 1 HJAF O=C(Nc1cccc(Cl)c1)c1cc(F)cc(N2CCC(N3CCCC3)CC2)c1 49036840 OLJUQOHAJJQAKK-UHFFFAOYSA-N 401.913 4.796 0 1 HJAF O=C1O[C@@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOC1CCCCC1 96939316 SUBFCXYXGCPPCW-GOSISDBHSA-N 408.498 4.870 0 1 HJAF Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1 100093161 HIDZBFHINMVIAQ-UBRQYEGLSA-N 401.485 4.773 0 1 HJAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@@H]3O[C@]3(C)[C@@]21C 166038830 CSSGXDLJYUSHNP-ZNBOTFOFSA-N 416.558 4.748 0 1 HJAF CC(=O)Nc1cccc(-c2cc([C@@H](C)Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1 169220678 BSZIYURUQVDTQH-HNNXBMFYSA-N 419.500 4.759 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(C(F)(F)F)ccc3C)C2)cc1 221045040 DCXHFDGQULURLG-OXJNMPFZSA-N 420.475 4.911 0 1 HJAF Cn1c(CN2C[C@@H]3[C@@H](COc4cccc(-c5ccccc5)c4)[C@@H]3C2)nc2ccccc21 253665553 DJHVINVBCJUYRT-UBRQYEGLSA-N 409.533 4.997 0 1 HJAF C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cnc(N6CCCC6)nc5)cc4)[nH]c3c2)=N1 299838148 LNIMDQHTQVZXNC-KRWDZBQOSA-N 422.536 4.630 0 1 HJAF Cc1cc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878284 BPMIGCBOAKLIOQ-UHFFFAOYSA-N 415.493 4.844 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21 587025911 IXJBZFFKSLSQAS-XWIAVFTESA-N 401.482 4.978 0 1 HJAF Cc1onc(-c2nc3c(Br)nccc3[nH]2)c1COc1ccccc1Cl 587063798 XRMNFFFNOBSHGN-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF CCOC(=O)CC[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096292 BZCAKLPSSSVJBL-INIZCTEOSA-N 401.462 4.771 0 1 HJAF C[C@@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340917 ZNLHZSHRQCWRJQ-VWNXMTODSA-N 423.415 4.817 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccccc4)c1)[C@@H](C2)C3=O 587441303 DLXBVODOXYOVRJ-UQBPGWFLSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nccc(Br)c13)CC2=O 587458034 FOLQBZGWWCSMJC-INIZCTEOSA-N 401.260 4.690 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c3c(c1)OCO3)CC2=O 587459085 MSJBUXZNQTUFGB-INIZCTEOSA-N 405.244 4.542 0 1 HJAF Cc1ccc(C)c([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601587 DSGOOPDHRDKHOA-RCZVLFRGSA-N 418.445 4.731 0 1 HJAF Cc1cc(Br)ncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587682787 NNCGPHLPOPHWOR-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587744690 SKYBTCHLRVJRSX-XUSGNXJCSA-N 417.322 4.661 0 1 HJAF CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762291 SDRIHHPTRNNYHB-XBHMSOGKSA-N 411.359 4.519 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cnccn3)cc2)N1 587776561 XZVIEURTODOYIH-ODXCJYRJSA-N 414.278 4.794 0 1 HJAF Cc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587797688 RPJFQLOSDRMZGK-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3cc(C(=O)O)ccc32)N1 587827440 OVKPWGXWJMCIMC-QKVFXAPYSA-N 418.306 4.791 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCO3)N1 587833668 HIEIBEQUTOMUHG-MPBGBICISA-N 406.295 4.699 0 1 HJAF NC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(c4cccc(F)c4)CC3)cc2)cc1 752403715 GHDAWWSBPOQXCU-UHFFFAOYSA-N 418.468 4.737 0 1 HJAF CCc1ccc(NCC[C@@]2(c3ccc(OC)cc3)NCCc3c(C)ccnc32)cc1 963067912 ATTGTWQBMZCLOJ-SANMLTNESA-N 401.554 4.853 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC3 963070279 SUTVFSPDAGNTCS-HKUYNNGSSA-N 413.562 4.760 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cccc(N3CCCC3)c2)N1 963181815 RIUKOWRYNDXMDP-OALUTQOASA-N 424.850 4.647 0 1 HJAF C[C@H](C(=O)NCc1cccnc1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857633820 IILNGWWUALFPNL-AWEZNQCLSA-N 400.404 4.659 0 1 HJAF COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@H](C)CCO)[C@@]2(C)C1 2356788563 XHWGHIJXIYCDEW-VTDRCMRRSA-N 408.579 4.669 0 1 HJAF Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCCc3ccccc32)cc1 1360783 PHLXQWKNUVFUHP-DEOSSOPVSA-N 413.500 4.597 0 3 HJAF aggregator CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)O3)c1 61895333 PIGBVSDYPFUCCY-HXUWFJFHSA-N 410.832 4.686 0 3 HJAF COc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 61898869 IXULXAOKFBHKLS-UHFFFAOYSA-N 409.795 4.688 0 3 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4310574 OMPXNOQDDACFGT-XRULBBBTSA-N 424.944 4.913 0 1 HJAF CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1C 6942014 AAPGLYQJDQIXQZ-UHFFFAOYSA-N 422.569 4.673 0 1 HJAF Oc1cc(Cl)c([C@@H]2NCCN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 22925798 HJKWIGCJLSFJBD-IYBDPMFKSA-N 408.112 4.687 0 1 HJAF Fc1cc2nc(SCc3c(Cl)cccc3Cl)[nH]c2cc1N1CCNCC1 29050624 LJDRWQFSRLXSNI-UHFFFAOYSA-N 411.333 4.711 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 29461917 KFZWDYQMBIYWFQ-XNWMKJFUSA-N 402.623 4.769 0 1 HJAF Oc1ccc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)cc1 40420822 FYQLWMYOHUUHHU-UHFFFAOYSA-N 414.469 4.508 0 1 HJAF COc1ccccc1Oc1cc(Nc2ccccc2C(N)=O)c(C(F)(F)F)cn1 73167587 VRPLZCPGZWJMEU-UHFFFAOYSA-N 403.360 4.744 0 1 HJAF CCOc1ccc(S(=O)(=O)N2CC[C@H](n3cc(C)c4ccc(Cl)cc43)C2)cc1 169699811 QDADGBDIEJVXOH-KRWDZBQOSA-N 418.946 4.638 0 1 HJAF CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)cc4OC)c(C)c3c2)CC1 202420988 YETIWQJNOZXLQW-UHFFFAOYSA-N 407.558 4.559 0 1 HJAF Cc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 586968780 QMBAVLYQZMWVGP-IYBDPMFKSA-N 419.554 4.720 0 1 HJAF CC1=C(c2ccc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3c2)NNC(=O)C1 587145581 NJVVXVYLMTZJLA-UHFFFAOYSA-N 416.431 4.931 0 1 HJAF Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 587181826 FHCNTZPCCSWTOY-LLVKDONJSA-N 408.287 4.579 0 1 HJAF Cc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 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408.763 4.873 0 1 HJAF N[C@@H](Cc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(=O)O 587625551 KAGFFMMWQSPYHI-ZDUSSCGKSA-N 416.321 4.827 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2occc2Br)N1 587680243 OKJLFUPWKSPPGP-VXJOIVPMSA-N 403.089 4.741 0 1 HJAF COc1cc(F)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587722718 ZRBIDTCZHJCCDN-OVWNDWIMSA-N 412.274 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1 587762693 ZNJFJZFCJUMLAH-MPBGBICISA-N 400.295 4.612 0 1 HJAF COC(=O)c1cc2nc(-c3cc(C=O)ccc3OC)[nH]c2c(F)c1Nc1ccccc1 587787800 RLWVDLJJLCXACO-UHFFFAOYSA-N 419.412 4.720 0 1 HJAF CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807740 MYQGXBGVALJFHR-MPBGBICISA-N 422.294 4.921 0 1 HJAF Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4csc(C(=O)O)c4)CC[C@@H]32)ccc1Cl 653714951 BOUVPWYXHRMMHT-YRGVVPAESA-N 422.930 4.704 0 1 HJAF COc1ccc2c(c1)[C@](c1cccc(F)c1)([C@H]1CC[C@@H](C(=O)O)C1)N(C(C)C)CC2 962085944 BDGWRUUHCARQOM-AOUJKTHWSA-N 411.517 4.845 0 1 HJAF 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AOANVWDHCJSVRZ-UHFFFAOYSA-N 419.510 4.527 0 1 HJAF COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2CCCOc1ccccc1 28888321 WABCPOCPLNPGLT-UHFFFAOYSA-N 414.505 4.814 0 1 HJAF Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC2CC2)[C@H]3c2ccc(C)cc2)cc1 29249005 YYVDFJAUJJYDGA-MAJWKAJUSA-N 420.578 4.554 0 1 HJAF Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(OCc3nccs3)nc1)CC2 29549242 WDLXFNDJOMMXFA-UHFFFAOYSA-N 400.891 4.674 0 1 HJAF C[S@@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CCC3 34284965 BRVYETPRGCQZJA-HBIPHATFSA-N 415.942 4.975 0 1 HJAF CCN(CC)Cc1ccc2[nH]c(-c3cc([C@H](O)C(C)C)cc4c3C(=O)NC4)cc2c1 43194877 SBKWRAUOQLUFRJ-XMMPIXPASA-N 405.542 4.610 0 1 HJAF in-vivo CN(C)[C@H]1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1 45354839 UYKJSYAQDGARFD-QHCPKHFHSA-N 424.548 4.528 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(c3ccccc3)CCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F 66157122 RSUCTBRHQBMPJI-BSLALVQMSA-N 419.443 4.913 0 1 HJAF CNc1nc2cnc(Nc3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccco1 82081984 ROLZRSXBEAHOQD-UHFFFAOYSA-N 403.364 4.757 0 1 HJAF CCN(CC)CCCNc1nc(NCCC(C)(C)C)c2cc(OC)c(OC)cc2n1 82129279 RHYHJSWNXYEAIF-UHFFFAOYSA-N 417.598 4.639 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82139930 CXIUFAAGFFEPAN-UHFFFAOYSA-N 418.516 4.854 0 1 HJAF Cc1ccc(-c2ncco2)c(C(=O)N2C[C@@H](COc3ccc(F)cn3)CCC[C@H]2C)c1 118667459 HFZAUIBSVWMNMS-MSOLQXFVSA-N 423.488 4.894 0 1 HJAF CNCCN(C)C(=O)CC1=C(C)/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21 137096265 FYEUVLDTINQMNX-BKUYFWCQSA-N 410.558 4.943 0 1 HJAF CCOc1cc([C@H](Nc2ccc(C(=N)N)cc2)c2nccs2)ccc1OC(C)C 143100975 YULNLDAKDBEBKV-FQEVSTJZSA-N 410.543 4.815 0 1 HJAF Cc1ccc(Oc2ccc(OC(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143206206 IQNGIYJIIGTIOM-UHFFFAOYSA-N 404.344 4.627 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccccc1Cl 203893503 LAQWPORFEAWNEQ-IBGZPJMESA-N 424.884 4.665 0 1 HJAF N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc21)C(=O)O 205127045 QRWODXKUJTXKGE-QFIPXVFZSA-N 423.965 4.876 0 1 HJAF COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 473132432 SHGZCMNVWJYUFS-UHFFFAOYSA-N 421.928 4.832 0 1 HJAF C[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156064 LJVBNXQIFRBZOR-QGZVFWFLSA-N 410.193 4.534 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2c1 587162326 VNIZIUYJKZABQJ-KGLIPLIRSA-N 403.251 4.912 0 1 HJAF Cc1cc(Cl)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587327815 HRMGYOQTHNQRMC-CVDCTZTESA-N 423.827 4.700 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)O2 587396652 VBSAFMHMPLMGTC-WAIKUNEKSA-N 402.535 4.871 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc4c(c3)OCO4)cs1)CC2=O 587492535 ASLQNRKWOCUJFM-HXUWFJFHSA-N 409.463 4.903 0 1 HJAF CC(C)[C@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576409 GWBOPSIJKHUATL-DHLKQENFSA-N 403.478 4.964 0 1 HJAF C[C@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584043 YTGHDRCLPMSTCN-RCZVLFRGSA-N 412.445 4.514 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CN1CCCC1 587592073 HMZHMGGSPPNVAX-RCZVLFRGSA-N 401.462 4.691 0 1 HJAF COc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c12 587754193 DGHMGZQMQVXOAE-WLRWDXFRSA-N 403.295 4.712 0 1 HJAF Cc1cccc(N2CCC([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CC2)n1 587769729 PMFUZSMNDPVIPU-QKKBWIMNSA-N 418.354 4.784 0 1 HJAF COc1ccc(-c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587797756 SQDUYLMNADPMPU-YBTHPKLGSA-N 417.278 4.875 0 1 HJAF COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805633 ICBJEDCVORAZPD-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF COc1ccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)sc2c1 587854141 BOEMDANTLRUGKW-VVVCHXIZSA-N 407.308 4.830 0 1 HJAF CCOC(=O)Cc1ccc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587936234 JWQWKTOOQWWMKW-DEOSSOPVSA-N 400.478 4.857 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ncco1)c1ccc(F)cc1F 962375220 RWOTYWFYXOPKPD-JOCHJYFZSA-N 411.477 4.703 0 1 HJAF CCOc1ccccc1[C@]1(CCCC(=O)O)N[C@H](CC)Cc2c1[nH]c1ccccc21 962947539 JSFWEFBEAUHZCY-NSYGIPOTSA-N 406.526 4.989 0 1 HJAF C[C@@H](NC(=O)OCc1ccccc1)[C@@H]1c2ccsc2CCN1Cc1cccnc1 962998793 VZXSSQHTWORBNG-VGOFRKELSA-N 407.539 4.557 0 1 HJAF CCn1ncc(C(=O)C[C@@]2(C(F)(F)F)NCCc3c(Cl)cc(Cl)cc32)c1C 963125375 UNNMXUVEJLOKOT-QGZVFWFLSA-N 420.262 4.695 0 1 HJAF C[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CC1 1772613166 YTTAWOSRYYGVQK-SXPGVMETSA-N 418.581 4.930 0 1 HJAF C[C@H](NC(=O)N1C(=O)C[C@H]1Sc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 1857573882 FXWWYLBLFPYVNL-GZMMTYOYSA-N 416.371 4.503 0 1 HJAF C[C@H](C(=O)OCCC(=O)NCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 1857611626 HZOBCZIGQTWJRS-SFHVURJKSA-N 405.469 4.846 0 1 HJAF COc1cc(N[C@H](C)CCCNC(=O)/C=C/c2ccccc2F)c2ncccc2c1 1857630209 GQVILNXKSQPOCC-FMQWLBJXSA-N 407.489 4.793 0 1 HJAF CCn1c(/C=C/Nc2ccccc2)[n+](CC)c2ccc(C(=O)OCC(F)(F)F)cc21 3065442 LIEUZOWXOTXTMY-UHFFFAOYSA-O 418.439 4.771 0 3 HJAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)c1 773436 HNHJUBSOOZVJHN-VQTJNVASSA-N 424.472 4.580 0 1 HJAF FC(F)(F)c1cc(CO[C@@H]2OCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1 13755698 FUQXMZQIUQTJPV-IRXDYDNUSA-N 405.338 4.928 0 1 HJAF COc1cc2ccc(=O)oc2c(OC)c1OCC1=C(C)CCC2=C1CC[C@@H]1O[C@]21C 15160410 SXDAZBMPWBQUHL-YADARESESA-N 410.466 4.547 0 1 HJAF biogenic CCOc1cc(O)c2c(=O)c(OCC)c(-c3ccc(OCC)c(OCC)c3)oc2c1 28218775 HNOZIIXEAFPMEB-UHFFFAOYSA-N 414.454 4.760 0 1 HJAF O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCCN(C2CCC2)CC1 53297102 BKTPKBQWTMYGGR-UHFFFAOYSA-N 420.340 4.881 0 1 HJAF CC(C)=CCc1cc(C[C@@H](O)C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O 59774507 DKIYWPRXYDNQFG-XMMPIXPASA-N 410.510 4.607 0 1 HJAF endogenous,in-man O=C(O)c1cccc(-c2cnc(C(=O)[C@H]3Cc4ccc(-c5ccccc5)cc4C3)o2)n1 71296804 VSZPRUWZAVPUOL-IBGZPJMESA-N 410.429 4.700 0 1 HJAF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3F)n2)cc1 82151223 XJAIBPBVPBLYKR-UHFFFAOYSA-N 420.532 4.974 0 1 HJAF Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1C(=O)c1ccccc1 96270535 LKEIUASPPLDGSX-UHFFFAOYSA-N 410.473 4.765 0 1 HJAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)c2ccccc21 199089651 SVGHOSFUMGIMKK-PZPSAWLHSA-N 411.343 4.543 0 1 HJAF C[C@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@H]1c1ccc(O)cc1 238787279 GGPZVBXSSCKWFL-IZHWHUGBSA-N 404.462 4.931 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](C)CN(C)C 299880135 LTGYIRYKKACOTF-PUZWTLIVSA-N 409.574 4.920 0 1 HJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586963077 JNQBBQKGENRENX-GOSISDBHSA-N 404.495 4.841 0 1 HJAF Cc1ccc2c3c(c4c(nc13)C[C@H](NC(=O)OC(C)(C)C)C4)-c1ccccc1C2=O 586994900 BIUKLIKQYCCHKV-CQSZACIVSA-N 400.478 4.747 0 1 HJAF Fc1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995650 MAMGLSBTQTWWTC-UHFFFAOYSA-N 413.088 4.882 0 1 HJAF Clc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587018471 CRACWGXXMHUSOJ-UHFFFAOYSA-N 419.293 4.750 0 1 HJAF FC(F)(F)Oc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029412 NWRYMSXSRCHZJL-UHFFFAOYSA-N 415.400 4.983 0 1 HJAF CCOc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)ccc1OC(F)F 587129768 FYZXHLXWNFGCHI-XQRVVYSFSA-N 410.218 4.891 0 1 HJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 587162784 JINLLUZXCBVNRW-UHFFFAOYSA-N 414.209 4.897 0 1 HJAF COCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331019 HCCVERLAMSGHHT-LADGPHEKSA-N 410.416 4.961 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)C 587379002 YXKJAARRWNJUEU-KRWDZBQOSA-N 420.303 4.842 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)O2 587387797 SKYZNHOLFWBTIP-BCHFMIIMSA-N 400.522 4.958 0 1 HJAF CC1(C)OC[C@H]([C@H](OCc2ccccc2)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 587535553 KSKBJZPPISVITC-VDKIKQQVSA-N 422.521 4.636 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccncc1 587578782 RTGCZZVDKYZKRU-RDGATRHJSA-N 412.445 4.534 0 1 HJAF CCOc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C 587753594 BGPQIMGWZVJMGW-BLVKFPJESA-N 424.358 4.771 0 1 HJAF COc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805280 FHHUUMKMOZVEFH-MPBGBICISA-N 408.311 4.712 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCc3ccccc3C2=O)N1 587822668 LWCLEARJRBPTDJ-FFUDGTDTSA-N 402.307 4.783 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc(N)ccc2o1 587861856 DETFKNKRCVJFBX-UHFFFAOYSA-N 401.344 4.594 0 1 HJAF CCOC(=O)C[C@@]1(Cc2cccc(C)c2)c2ccsc2CCN1Cc1cccnc1 962989774 ALNXTCVPOZOWNY-VWLOTQADSA-N 420.578 4.901 0 1 HJAF COc1c(C)cccc1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 1772657168 FASLZXLYQSUZEK-QGZVFWFLSA-N 420.387 4.987 0 1 HJAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1OCC(C)C 2356340188 JBXQTZCILHGOIN-HJOCRKTISA-N 412.482 4.534 0 1 HJAF Clc1cc(Cl)cc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 199271200 XHQBUEMMHLMRTC-UHFFFAOYSA-N 413.352 4.696 0 3 HJAF CC(C)(C)OC(=O)NCCCCCC[n+]1c(N)n(Cc2ccccc2)c2ccccc21 13560581 GIAPFJIJDJJVLO-UHFFFAOYSA-O 423.581 4.644 0 1 HJAF CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 26150741 PPAUYLKOXHOIRK-HSZRJFAPSA-N 406.482 4.501 0 1 HJAF CC(C)(C)C(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26379912 KAOOPOQEOHTTRG-UHFFFAOYSA-N 422.403 4.565 0 1 HJAF COc1ccc([C@@]2(Cc3ccncc3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29471984 LYFJUEFLHDDPGU-AREMUKBSSA-N 414.505 4.893 0 1 HJAF COc1cc(OC)c2c3c1-c1c(O)cccc1[C@@H]1Oc4ccccc4[C@@H](C[C@@H]2O)[C@@H]31 45495047 BYIFJCGQQCFHKN-HGOAQEIDSA-N 402.446 4.828 0 1 HJAF COCCn1c(CC(C)(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179056 SCVBBQIQJSAWER-UHFFFAOYSA-N 421.467 4.692 0 1 HJAF O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 100914010 FJMBSAKPYYSFQQ-UHFFFAOYSA-N 403.791 4.953 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(CO)cc2Cl)CC1 141059219 HERAWSIIQJRSRE-UHFFFAOYSA-N 411.811 4.567 0 1 HJAF C[C@@H]1CCC[C@@H](C)N1Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 169306156 IUALIHPRDXWTSS-AGKHESDQSA-N 403.828 4.894 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@@H]2CCCC[C@H]21 261100540 GFRMFVSDSQREBC-GPMSIDNRSA-N 408.361 4.596 0 1 HJAF in-vitro Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 261173485 UGSQUXYEAXCLHB-OGRZNMISSA-N 406.570 4.847 0 1 HJAF O=S(=O)(CC[C@](F)(Cl)C(F)(F)Cl)c1nc2ccc(Cl)cc2s1 299865770 UMFCYWYUJMIMJB-SNVBAGLBSA-N 412.669 4.850 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299874882 CBMOGDIWACELMN-OMZJQYJESA-N 418.578 4.622 0 1 HJAF Fc1cnc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586966197 JEBMWHYSGCDBSA-UHFFFAOYSA-N 414.897 4.560 0 1 HJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(N)=O)c2[nH]1 586982742 PITFCVIPRDBUOA-CQSZACIVSA-N 400.320 4.797 0 1 HJAF CC[C@H](Oc1ccccc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587061423 GORVCGDYFPXSSJ-HNNXBMFYSA-N 409.877 4.806 0 1 HJAF Oc1ccccc1-c1cc(-c2nc3c(O)nc(S)nc3[nH]2)c2cccc(Cl)c2n1 587082997 YKJJVEMHRFPLDV-UHFFFAOYSA-N 421.869 4.588 0 1 HJAF COC(=O)COc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097561 QWPMORJSUBYBSB-UHFFFAOYSA-N 409.441 4.973 0 1 HJAF CN(C)C(=O)COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587103413 GKWZUHKKQIKPGO-UHFFFAOYSA-N 408.457 4.580 0 1 HJAF Cc1cccc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c12 587220163 QEMBUIMQMFLKMS-LJQANCHMSA-N 423.513 4.961 0 1 HJAF Cc1c(Br)cnc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc12 587233591 RFZNXGSXEVUBRN-DGCLKSJQSA-N 409.328 4.580 0 1 HJAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2oc(N)nc2c1 587331633 DXDPRJUXDDLZNW-GBXCKJPGSA-N 418.424 4.837 0 1 HJAF C[C@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341548 JSUBVUMBYSFEIM-UKILVPOCSA-N 414.436 4.991 0 1 HJAF COc1ccc2c(c1)C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354868 VZKJLYQOJHGTGX-NOZRDPDXSA-N 404.437 4.827 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1Br)O2 587381992 JURCPQNNNKRPRH-OAHLLOKOSA-N 416.193 4.945 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC1(C)C)CC2=O 587474286 DTMVDBHBEBESCV-QHCPKHFHSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(O)c21 587482996 QEAZXDTXGYGNAO-VWLOTQADSA-N 400.430 4.504 0 1 HJAF COc1ccc(C[C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556013 UDTUHTBAJOLNIM-WVRMYWEISA-N 408.425 4.749 0 1 HJAF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587710033 QBTKRELOVUJLHV-HWPZZCPQSA-N 403.217 4.632 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(O)c2)N1 587714055 FTZUCZZJHRVSCS-VPTHRUTESA-N 402.210 4.519 0 1 HJAF Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587827601 LCZZVHCWGPGOPH-LHSJRXKWSA-N 420.322 4.848 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCOCC2)N1 587836168 SEWGSYNJNNQREN-SZNDQCEHSA-N 404.323 4.793 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(Cl)ccc2n1 587860859 HDVQMEOYABKPIA-UHFFFAOYSA-N 420.778 4.567 0 1 HJAF COc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862871 ZTRLGEGVUYEKEW-ZDUSSCGKSA-N 420.387 4.694 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nn2cnnc2c2ccccc12 587867204 XYBQKLZWMWQBKC-UHFFFAOYSA-N 424.386 4.548 0 1 HJAF CSc1ccc(/C=C2/C(C)=C(CC(=O)N3CCNCC3)c3cc(F)ccc32)cc1 1772626905 SNQQMWSCTJOECV-BKUYFWCQSA-N 408.542 4.697 0 1 HJAF CC(C)[C@@H](N)c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 1857607511 CLDPAGZCSBWTSH-LJQANCHMSA-N 411.575 4.594 0 1 HJAF COc1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)cn1 82078790 NXUQDLGXTDZLOK-UHFFFAOYSA-N 410.481 4.632 0 3 HJAF COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 13835521 DZRGTUXVPIVOBL-UHFFFAOYSA-N 413.477 4.965 0 1 HJAF O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2 28886122 OPXFEIJQXDAPEU-UHFFFAOYSA-N 421.544 4.688 0 1 HJAF COc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc(Cl)cc2)cc1 31909867 SADAFTBKPSBJLJ-UHFFFAOYSA-N 417.917 4.787 0 1 HJAF COc1cc2c(cc1OC)Nc1ncnc(NCc3ccc(F)c(Cl)c3)c1NC2 36758615 UAMSEIYEHHABIH-UHFFFAOYSA-N 415.856 4.568 0 1 HJAF CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 38396068 BGUSFUGSGSBRQA-FQEVSTJZSA-N 413.308 4.795 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C(\F)CO[P@@](=O)(O)OP(=O)(O)O 58631599 DXHJZCKJWKWTCH-WISUYLHISA-N 400.320 4.929 0 1 HJAF in-vitro CCOC(=O)c1c(C(=O)OCC)c2ccc3ccccc3n2c1C(=O)c1ccccc1 71295910 QJGVLDTXWRETEU-UHFFFAOYSA-N 415.445 4.677 0 1 HJAF Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3cc(Cl)cc(Cl)c3)n2c1 84738837 XNLXXXXDSYXGKV-UHFFFAOYSA-N 402.203 4.898 0 1 HJAF CC(C)(C)OC(=O)N1CCC[C@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1 118616183 FUJLFVWQQWXTBE-KRWDZBQOSA-N 405.502 4.648 0 1 HJAF O=C(Oc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CC[C@@H](c2ccccc2)C1 145634845 YRYRPUAJKATBGH-LJQANCHMSA-N 411.461 4.578 0 1 HJAF CCc1c(N(CC2CC2)S(=O)(=O)c2ccccc2)nc2c(C(F)(F)F)cccn12 167651061 JAHUTJKGUNNXOF-UHFFFAOYSA-N 423.460 4.521 0 1 HJAF C[C@H](O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1cccc(Cl)c1 169316969 HLMGGYGKJKEYHC-JENIJYKNSA-N 400.943 4.672 0 1 HJAF N=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@@H]2c2ccccc2)n1 299808197 CUKUTZPWSOAOPE-KAOXLYBCSA-N 423.564 4.519 0 1 HJAF Cc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 473087956 MVXBOLWBFYJUIN-OALUTQOASA-N 414.431 4.782 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 586917258 RUMNOYRYDDCAPF-BUXKBTBVSA-N 403.251 4.681 0 1 HJAF Cc1ccc2c3c(c4c(nc13)CCN(Cc1ccccc1)C(=O)C4)-c1ccccc1C2=O 587097393 OIUNNSRQOWAQAF-UHFFFAOYSA-N 418.496 4.882 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238398 DAFZXHNCKFWHRG-SAZGQGMLSA-N 405.926 4.771 0 1 HJAF CCOP(=O)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC 587359496 HWSMJOOKSOEBNG-CTNGQTDRSA-N 422.389 4.915 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)O2 587383169 YMNOWWSZYGVPKL-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccnc1 587395921 WDJFJOGSZSPKDD-JOCHJYFZSA-N 404.466 4.656 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCN3CCC[C@H](C)C3)cc1)O2 587397313 ZSNXNXNYUZAOMM-BXKMTCNYSA-N 408.542 4.785 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Br)cc1)[C@@H](C2)C3=O 587416657 DWCMBJRBBJLXTL-KKSFZXQISA-N 410.267 4.737 0 1 HJAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602209 XHKGUMRORRAZAE-JCVZSFDNSA-N 402.446 4.851 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)F)N1 587717100 FHCLVOLWFOPYDV-WYRIXSBYSA-N 412.249 4.856 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)F)N1 587717904 HFBDYKYLZGRGPT-WYRIXSBYSA-N 412.249 4.856 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587728345 FGPVTNVTSKXNDD-QPFGOUBPSA-N 421.241 4.530 0 1 HJAF Cc1nc2ccccc2nc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779360 REDVIXOEQJBHAK-PRWKNARSSA-N 400.295 4.638 0 1 HJAF COc1ccccc1-c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587795505 OYXLDEMLAZBGMP-BIBXISHDSA-N 417.278 4.875 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824426 WOCMOVAPRINZEX-SAZGQGMLSA-N 402.307 4.517 0 1 HJAF COc1ccc2c(c1)OCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833343 GBKAPPIZIYALDM-FKIZINRSSA-N 406.295 4.547 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(F)cc1)c1cc(F)cc(F)c1 963635660 NJKHPFTUEKLPPQ-JBEBIEQOSA-N 413.439 4.947 0 1 HJAF CCOC(=O)Cn1ccc2cc(OCCN3CCC(C)(C)c4ccccc43)ccc21 1772654164 ZMCMBLOPCZAASD-UHFFFAOYSA-N 406.526 4.771 0 1 HJAF O=C(Nc1ccc(Oc2ccncc2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O 1857613459 XFXAMCQJMNCCHZ-UHFFFAOYSA-N 419.387 4.555 0 1 HJAF O=C1Cc2c([nH]c3ccc(Br)cc23)-c2cc(Br)ccc2N1 1862242 KIZLESRPUNYYNU-UHFFFAOYSA-N 406.077 4.855 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4043194 MYIGFWZWFWYKBT-TZIWHRDSSA-N 417.912 4.553 0 1 HJAF CCOC(=O)OC[C@H]1O[C@H](CCc2ccccc2)CC[C@@H]1Oc1ccc(OC)cc1 13783115 YJHAZGIAAHLKAT-AKIFATBCSA-N 414.498 4.796 0 1 HJAF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccccc1F 29129305 GGRWVRQGTAXONB-DNVJHFABSA-N 407.441 4.592 0 1 HJAF O=C(Nc1c(F)cc2c(c1F)CCC(F)(F)[C@H]2O)c1cc2cc(Cl)ccc2[nH]1 34105379 NUFIIKLVNAEDGC-KRWDZBQOSA-N 412.770 4.967 0 1 HJAF CCC(CC)N(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189583 IPRXHMGTIKEHQX-LWVUOAAJSA-N 402.623 4.865 0 1 HJAF COc1ccc([C@@H]2c3c(nc(C)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC 36382509 TYQMUIWDZGIYJA-FQEVSTJZSA-N 400.434 4.535 0 1 HJAF Cc1cc(-c2ncnn2C)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 43059482 NWGWRJAWFWJPIW-UHFFFAOYSA-N 400.269 4.620 0 1 HJAF FC(F)Oc1ccc(-c2ccnc3cc(-c4cccnc4)nn23)cc1OCC1CC1 45389270 DFHBSRVTPHLECE-UHFFFAOYSA-N 408.408 4.849 0 1 HJAF Nc1ncnc2[nH]nc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)c12 64516342 UTSMKWBXJSXTKR-UHFFFAOYSA-N 406.449 4.521 0 1 HJAF CC(C)n1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2sccc2c1=O 72127959 PYMHFJGIXTZSGR-UHFFFAOYSA-N 411.571 4.961 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82133022 ACFDBFIKYUZIKS-UHFFFAOYSA-N 400.526 4.715 0 1 HJAF Nc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc(N)n2)cc1 82158133 ISEPUOJEBYNAKU-UHFFFAOYSA-N 422.467 4.967 0 1 HJAF O=C(Nc1cc(Cl)ccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1F 84709242 XBEDDUMXNOBQOT-UHFFFAOYSA-N 412.804 4.682 0 1 HJAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cc(F)ccc1F 96170151 SCYIMJJKJBCLTI-UHFFFAOYSA-N 424.834 4.852 0 1 HJAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cccc(-c3ccccc3)n2)CC1 299866617 PEJSSECCFFKYKM-KJOQGJGQSA-N 413.565 4.914 0 1 HJAF O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 586887984 VSTUAQKTXKKXQR-ZDUSSCGKSA-N 417.918 4.634 0 1 HJAF Cc1cc(F)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961787 SWKXKRYCMZUIQU-YSSFQJQWSA-N 413.518 4.705 0 1 HJAF CCOc1cc(/C=C\c2nc3ccnc(Cl)c3[nH]2)cc(Br)c1OC 586978638 ZLXQJFBSHHENTH-PLNGDYQASA-N 408.683 4.952 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)ncc2[nH]1 586997597 ZQHBSJWDTDIFRD-UHFFFAOYSA-N 411.097 4.797 0 1 HJAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(F)c(Br)c2[nH]1 587078946 DLYDPJUKQMRVSE-GFCCVEGCSA-N 407.674 4.842 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C(C)(C)C)ccc2[nH]1 587180180 DNFGTNAKJVGKTI-SNVBAGLBSA-N 423.302 4.695 0 1 HJAF COc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2cc1F 587240367 IOIUXZKTUZUDHJ-UHFFFAOYSA-N 405.429 4.573 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349116 PLORKUFYDKVDRV-RDGATRHJSA-N 420.436 4.657 0 1 HJAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353374 YUVDSIVJTILILU-MZCSIULSSA-N 412.457 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 587380572 WJLKALWPBKHLDL-DEOSSOPVSA-N 418.880 4.638 0 1 HJAF COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587398535 FANPBCAZCPJDFK-DEOSSOPVSA-N 403.478 4.584 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1)[C@@H](C2)C3=O 587425991 JMTKPFKEWPIHEI-FDDCHVKYSA-N 404.393 4.688 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)nc4ncccn14)[C@@H](C2)C3=O 587435115 CPFACCONOZLAHJ-MHECFPHRSA-N 411.461 4.510 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(OC)cc1Br)CC2=O 587455415 BORRJPSRPZKBBV-KRWDZBQOSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3occc3C(=O)O)cc1)CC2=O 587476619 DCBBZNIFOAJMKF-NRFANRHFSA-N 422.433 4.921 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1c(N)sc3c1CCC3)CC2=O 587495930 QMLNWQHIQHOPOE-DEOSSOPVSA-N 420.534 4.781 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(F)F)c1 587552730 BVCWFHPAIQJUSB-WIYYLYMNSA-N 414.360 4.705 0 1 HJAF O=Cc1ccc(OCCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 587566526 REGZXYVPTJVWIU-UHFFFAOYSA-N 424.092 4.522 0 1 HJAF CCOC(=O)c1c(-c2ccccc2I)[nH]c2cc(F)ccc12 587634284 FPCKUJPGNSIMCV-UHFFFAOYSA-N 409.198 4.755 0 1 HJAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc(-c2ccccc2O)n1 587661111 MQMVALQOLWZAOK-UHFFFAOYSA-N 424.435 4.663 0 1 HJAF Cc1cccc(C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587701766 CWIKVEQRXNQXEF-APPDUMDISA-N 417.244 4.826 0 1 HJAF Cc1cc(Cl)c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587704939 LJRMHHOZLLOWOV-QGHHPUGFSA-N 408.702 4.821 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1 587722482 ZBEPUDYZSWHTOH-INWYIAFRSA-N 408.649 4.536 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587743576 OXANTWVYUOZPBE-LAJNKCICSA-N 417.322 4.661 0 1 HJAF Cc1ccccc1-n1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755561 AUZQGGHBXQMNDC-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF COCc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587804430 ZNJRACLDXPHYTM-ODXCJYRJSA-N 408.311 4.541 0 1 HJAF O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587876704 WHVZAIVCVWUFBB-MRXNPFEDSA-N 421.428 4.484 0 1 HJAF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccnc(Br)c1 587939924 KXPGHGKTCXHPMM-UHFFFAOYSA-N 405.679 4.972 0 1 HJAF Cc1nn(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c(=N)s1 653790205 POIWOJMJUNYPKN-UHFFFAOYSA-N 422.457 4.581 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(Cl)c(F)c1)C(F)(F)F 963577765 DTECSXLRKCRIGE-YPMLDQLKSA-N 403.803 4.836 0 1 HJAF CCCC[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(c2ccc(OC)c(O)c2)=NO1 1772573477 MYLSNNPFVHSWFN-QHCPKHFHSA-N 415.486 4.637 0 1 HJAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(-c3ccccc3)cc1)CS(=O)(=O)O2 1857557780 JNGPMSVKKBINGS-JOCHJYFZSA-N 416.502 4.702 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214699 SSSPUMHMRBAFST-BVOGOJNSSA-N 424.944 4.913 0 1 HJAF COc1ccc([C@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1Cl 11687441 DZJWQOQLLYRSPY-CTNGQTDRSA-N 401.894 4.686 0 1 HJAF COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12 13387713 DKTWEIRHZXHFQB-UHFFFAOYSA-N 413.433 4.885 0 1 HJAF biogenic Nc1nc(Nc2cccc(Br)c2)nc(OCC2CCCCC2)c1N=O 13538710 HPMKMPNNTLGDLY-UHFFFAOYSA-N 406.284 4.922 0 1 HJAF CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 28525926 RSVKEOVPNVXAOI-UHFFFAOYSA-N 406.599 4.754 0 1 HJAF Cc1ccccc1NC(=O)N(c1ccc(F)cc1)c1ccnc(N[C@@H](C)C(C)(C)O)n1 35919745 SXWWCGAEMNLHEL-INIZCTEOSA-N 423.492 4.866 0 1 HJAF COC(=O)c1cc2nc(C3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1Cl 40422924 IHZYHFJFEHDQPT-UHFFFAOYSA-N 410.857 4.726 0 1 HJAF C[C@@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@H](c1cc(Cl)ccn1)c1cccnc12 72317815 MUMDCFHGPZGRLJ-BTYIYWSLSA-N 424.907 4.836 0 1 HJAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179547 IDGAKMLCXFUQED-INIZCTEOSA-N 404.493 4.728 0 1 HJAF Fc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)cc1 82185694 FXVWAFKKNHLLND-IBGZPJMESA-N 409.509 4.804 0 1 HJAF CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190655 JATKQNRWGVYJTD-IBGZPJMESA-N 408.550 4.705 0 1 HJAF Cc1cc(C2(O)CCC(=O)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103174159 NVISKBPISPOUJG-UHFFFAOYSA-N 419.909 4.642 0 1 HJAF Cc1ccc(-c2nn(C(=O)NC3CCCCC3)c(=O)n2-c2ccc(Cl)cc2)cc1 103262306 IUINALILLTVIHS-UHFFFAOYSA-N 410.905 4.553 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713489 NVBZLUSKXDCJBQ-RAAHORHBSA-N 402.623 4.580 0 1 HJAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@@H](C)Cc4cccnc4)ccc23)c(F)c1 205648789 VUUPJYXOLDOLNF-HNNXBMFYSA-N 415.468 4.890 0 1 HJAF COc1ccc(Cl)cc1-c1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 218393270 RLIOLXJLPFGZKA-JOCHJYFZSA-N 423.940 4.814 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)c1cccc2ccccc12 299835103 LRBPWIBVBMUYDE-DEOSSOPVSA-N 406.913 4.756 0 1 HJAF CN=c1nc(NCC(F)(F)F)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473089559 RXFCUSFIJMRLCA-UHFFFAOYSA-N 406.355 4.815 0 1 HJAF Fc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(F)c1F 586984792 IYPWPGYBZKJUED-QGZVFWFLSA-N 410.237 4.928 0 1 HJAF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 587025604 LTNZUQVIMYNSEX-RMKNXTFCSA-N 411.508 4.604 0 1 HJAF CCOC(=O)c1cnn(-c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)c1C(F)(F)F 587115508 YAWMXMSBPHBTPN-UHFFFAOYSA-N 414.387 4.920 0 1 HJAF Cc1c(F)ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587140226 JOXODPIPZBTTOI-UHFFFAOYSA-N 417.412 4.756 0 1 HJAF C[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172231 DOOSHGYOSZJOIJ-QGZVFWFLSA-N 409.642 4.746 0 1 HJAF CCn1ncc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587344730 YEBXRPRXHCEHFC-VWNXMTODSA-N 408.473 4.967 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CN3CCCC3)c1)CC2=O 587476639 WELWMUKBCRLWOV-RUZDIDTESA-N 409.526 4.830 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C3CCCCC3)cc1)(C(O)O)CC2=O 587489388 MZPJHVBHOJOSKH-VWLOTQADSA-N 410.510 4.564 0 1 HJAF C[C@]1(c2ncccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549491 QIXXQXBWZPHQFU-JXFKEZNVSA-N 401.340 4.683 0 1 HJAF C[C@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553815 WEIBQJIOFLRZNK-FXAWDEMLSA-N 402.233 4.971 0 1 HJAF 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NOJHPMJNBBLXIY-DEOSSOPVSA-N 404.535 4.779 0 1 HJAF CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1NCCc2c(C(=O)O)cccc21 963133805 SSYILFOARYDSHB-IBGZPJMESA-N 409.917 4.757 0 1 HJAF CC(C)C(=O)[C@@H]1CCCC[C@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175679 RUSLLYKJWQOFFI-MOFZMDFASA-N 417.855 4.568 0 1 HJAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccncc2)c1C(=O)c1cccc(Cl)c1 1857634995 KBMRWASTOLUOGC-UHFFFAOYSA-N 401.853 4.774 0 1 HJAF Cn1cc(-c2ccc(Cn3cc(C(=O)NC4CCCCC4)c4ncccc43)cc2)cn1 1857643512 XCICOSGPPRRUAL-UHFFFAOYSA-N 413.525 4.548 0 1 HJAF COc1ccc(CCN2CCC(N=c3[nH]c4ccccc4n3CCC(C)C)CC2)cc1 1857646490 LSROLZTXOJDEIJ-UHFFFAOYSA-N 420.601 4.632 0 1 HJAF O=C(Nc1ncc(CO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 1857650128 OLZKXMLLVOENDP-UHFFFAOYSA-N 407.417 4.519 0 1 HJAF C[C@@H]([C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@@H]4C)N(C)C 2356450815 KDKFZGZVPVIBCE-IZBCVVNWSA-N 414.678 4.973 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1c(F)cccc1Cl 4080598 XVSQGDAPUAXGEB-CTNGQTDRSA-N 417.912 4.553 0 1 HJAF Cn1cc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21 13447697 LZSMYZZPCOFKOY-UHFFFAOYSA-N 417.468 4.689 0 1 HJAF CCCCc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 13553797 GNOVHIQQWMFXBG-UHFFFAOYSA-N 406.452 4.797 0 1 HJAF Cc1ccc2oc(=O)cc(CC(=O)Nc3nc4cc(Cl)c(F)cc4s3)c2c1 71334869 TYJYWNKWRDERJZ-UHFFFAOYSA-N 402.834 4.685 0 1 HJAF O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1cccc(F)c1 72137628 NRXFEGOWLFUGLD-LJQANCHMSA-N 417.889 4.804 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3)n2)C1 82132570 KVENMMBHROUDGP-LMVRJCEZSA-N 406.574 4.934 0 1 HJAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82197862 RTFUNUJIKCJQKQ-YWZLYKJASA-N 417.575 4.523 0 1 HJAF C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C 82217134 LEAXMMRZYWLUQL-MNDZRTMASA-N 422.548 4.683 0 1 HJAF O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1 95575880 ZISIKDAFSNLTLU-CQSZACIVSA-N 414.763 4.501 0 1 HJAF Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4ccc(C(=O)O)cc4)c(C)c3cc2c1C 95581730 BGVXWNIDNVVLJX-UHFFFAOYSA-N 419.433 4.652 0 1 HJAF Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)c2cc(CCc3ccccn3)[nH]c2n1 95589754 ZESCQBMJGMJQDV-UHFFFAOYSA-N 416.382 4.622 0 1 HJAF FC(F)(F)c1cccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)c1 96935189 BFJXFBZXHMCXSB-UHFFFAOYSA-N 409.389 4.732 0 1 HJAF CCOc1ccc(-c2cs/c(=N\C(=N)c3ccccn3)n2-c2ccccc2)cc1 101615982 XDHQZZRXMFMYRD-BJIXCTLSSA-N 400.507 4.926 0 1 HJAF c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1 146513837 JCOAETVVTPULPY-UHFFFAOYSA-N 422.598 4.687 0 1 HJAF CCc1ccc(O)c([C@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 169296175 NIRMMTQJLKPRRA-MBOZVWFJSA-N 409.526 4.710 0 1 HJAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[C@@H](O)C(F)(F)F)CC[C@@H]12 169302560 JVSPILBDVWXPBS-AVSXDVEWSA-N 416.524 4.889 0 1 HJAF COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc-3c2=O)cc1 169687422 UESAWASVMIJHQG-UHFFFAOYSA-N 409.873 4.744 0 1 HJAF S=C(Nc1cc(Cl)ccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1 198797658 OVOLFKUBWIJLDM-UHFFFAOYSA-N 401.750 4.561 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 299821034 RYPMTHMHTXUIIA-FKHIRMOZSA-N 400.607 4.545 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3 586988919 ZTISSDBOSAQXGE-LAUBAEHRSA-N 418.496 4.924 0 1 HJAF Cc1nc(COc2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)cs1 587020209 HNGVSWVZTOYKOB-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)s1 587023518 FMRIUTFMLKMFNN-UHFFFAOYSA-N 423.498 5.145 0 1 HJAF Cc1c(Br)ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041150 AFPCXAQDQYZUSU-CQSZACIVSA-N 422.735 4.943 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587043708 UQGRYAUNVZTUTJ-AWEZNQCLSA-N 423.872 4.781 0 1 HJAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2nc(Br)c[nH]c-2n1 587128726 OMALDDIGWQDLBG-UHFFFAOYSA-N 408.231 4.795 0 1 HJAF Cc1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 587179564 XVYBIXMVUPKSLD-UHFFFAOYSA-N 403.145 4.557 0 1 HJAF COC(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1OC 587196647 URNKUFHUVFQLFK-UHFFFAOYSA-N 401.466 4.565 0 1 HJAF CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(N)cc2O1 587338711 RENQXLMJXJWKAF-VWNXMTODSA-N 403.409 4.664 0 1 HJAF C[C@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375163 RKENTKHSOIQDSS-WMZHIEFXSA-N 420.465 4.998 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OC(F)(F)F)ccc1Br)O2 587382253 LBWIYSDZPZJMFE-HNNXBMFYSA-N 416.193 4.945 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(O)c1 587541136 TWQUZEKTUGZTMI-XLIONFOSSA-N 413.223 4.563 0 1 HJAF C[C@@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581959 YBEJRQZBCPAZGG-DHLKQENFSA-N 423.509 4.732 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587605237 YNPVKXGPGQEBHH-DHLKQENFSA-N 418.445 4.731 0 1 HJAF CC(C)n1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587711173 WDMSFTKLUYDDBB-HWPZZCPQSA-N 420.248 4.706 0 1 HJAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587720182 MWDZQYCURDPCMU-DYBLOJMWSA-N 400.238 4.889 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=CNCCC2)(c2ccccc2)N1 587790578 DKPANVXXLIEYII-SZNDQCEHSA-N 401.323 4.633 0 1 HJAF CCc1ccccc1NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869643 OTMWRQXYSFCWIV-UHFFFAOYSA-N 406.433 4.780 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c1 587932152 OQDRXEZEJWOULB-UHFFFAOYSA-N 402.450 4.717 0 1 HJAF Cc1ccc(NC(=O)C[C@@H](CCO)c2nnc(CCCC(C)C)n2C2CC2)c(C)c1 1857575650 JNGZDUVXOISEOK-LJQANCHMSA-N 412.578 4.703 0 1 HJAF O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCC12CCCCC2 1857645132 ZCDZPWJYQAZKED-UHFFFAOYSA-N 405.473 4.614 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1OC(=O)CC(C)C 2356385407 MECYONIBORKUBT-SRBYMVNNSA-N 402.531 4.939 0 1 HJAF CC[C@@H]1O[C@H](c2c(C)cc(C)cc2C)O[C@]1(C)[C@H](O)[C@@H](C)COC(=O)C(C)(C)C 2356471896 DYBDTNQGVPNWTP-OKILKGOBSA-N 406.563 4.781 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)c1 61926067 YGCVNXHEPINKDV-XMMPIXPASA-N 421.566 4.692 0 3 HJAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cccc2ccccc12 2480435 XCIILQHWOBSWKD-UHFFFAOYSA-N 416.477 4.937 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCN(CC)CC 4213556 DNVUGEXEZIOROB-DHIUTWEWSA-N 417.594 4.557 0 1 HJAF O=C(c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCCCC1 5071133 SEEDTMXQCUPPRB-IRLDBZIGSA-N 412.574 4.608 0 1 HJAF Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl 26385749 NMHMQBBGEKOFED-UHFFFAOYSA-N 417.336 4.820 0 1 HJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(-c2cccnc2)c1 26744222 AOQPAHOCLWJZQQ-IAMBOQNYSA-N 406.482 4.950 0 1 HJAF O=C(NC[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1 28522933 RRUKXLMFIFTNGF-XMMPIXPASA-N 424.564 4.639 0 1 HJAF O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 29132628 JORZYQDONOCUPN-QFIPXVFZSA-N 410.901 4.648 0 1 HJAF COC(=O)[C@H]1CCC[C@H](NCc2cc(/C=C\c3ccc(Cl)c(Cl)c3)[nH]n2)C1 40461407 AFUYHVGHOMOIJA-UWERJEOXSA-N 408.329 4.708 0 1 HJAF CCO[C@@H](Cc1cccc2c1ccn2CCc1nc(-c2ccccc2)oc1C)C(=O)O 40812415 XAGKAHDCKRCLLG-QHCPKHFHSA-N 418.493 4.880 0 1 HJAF COc1ccc(CN2CC(O)=C(SCc3cccc(C(F)(F)F)c3)C2=O)cc1 96142700 VCHQOLHSCDLEHK-UHFFFAOYSA-N 409.429 4.759 0 1 HJAF COc1ccc(Nc2ncc(Nc3ccccc3)cc2-c2nc(C)nc3[nH]cnc23)cn1 113153135 SROBUDGBCAGULX-UHFFFAOYSA-N 424.468 4.614 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(C)cc1C 144372459 ILBPQELNIHTETJ-NRFANRHFSA-N 418.493 4.628 0 1 HJAF OCCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703777 SGALVFVBSHVAIT-UHFFFAOYSA-N 400.885 4.733 0 1 HJAF CCC1=N[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(OC)CC1 169708702 QRKMJBIQBFXXFC-PBSMCPNCSA-N 422.960 4.908 0 1 HJAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3C=C[C@@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C 255227887 LQRKRHDZKOLWKN-LFZLBANCSA-N 414.678 4.710 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(F)c(C)c3[nH]1)C(=O)OC2 586915989 SZYHPQZYUMFGLX-XGICHPGQSA-N 424.472 4.825 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)ncc3[nH]1)N2 587030586 GCJUNZFCZLBGBN-FVNYMESBSA-N 405.936 4.738 0 1 HJAF CC1=C(c2ccc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3c2)NNC(=O)C1 587165447 VQNSXYWEDDJXHY-UHFFFAOYSA-N 404.470 4.853 0 1 HJAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359976 TVMIWGZFAVHBPB-ILBGXUMGSA-N 418.420 4.657 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)O2 587379901 MJSSQASOJLZJHL-OAHLLOKOSA-N 403.866 4.679 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O 587461416 KFFCHOBUZQPHJO-MCMMXHMISA-N 402.874 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)Oc3ccccc3)CC1)CC2=O 587474867 KMPVNLXSWBPCGC-XMMPIXPASA-N 409.482 4.734 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)cccc21 587482944 PGEMYHQHIVOQTC-RUZDIDTESA-N 400.430 4.504 0 1 HJAF O=C1C[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1 587503122 WVIRKUKHCZROGW-XMSQKQJNSA-N 415.411 4.549 0 1 HJAF COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587547881 VFLNYAKGHNKKOG-DENIHFKCSA-N 412.825 4.766 0 1 HJAF Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1C(F)(F)F 587553093 DRYCKOAZRBUPAB-CZUORRHYSA-N 407.369 4.879 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1c(F)cccc1F 587559812 ZCAXSFLUFAPGNY-AUSIDOKSSA-N 420.371 4.763 0 1 HJAF CCOc1cc(OC)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594393 HGIDEQMAIXASFG-URXFXBBRSA-N 406.434 4.677 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(F)(F)F)(c2ccccc2)N1 587716759 DURLJQLQGKRHRX-DIFFPNOSSA-N 418.228 4.902 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 587734922 SQAXZSVDZWGWFT-GIPWTMENSA-N 418.285 4.845 0 1 HJAF CCC(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587741122 GASJEGRAZAQKBI-MPBGBICISA-N 405.311 4.734 0 1 HJAF CCCCOc1cc2nc(-c3cc(C=O)ccc3OC)[nH]c2cc1Br 587786324 FZUSFFDCIYRIHW-UHFFFAOYSA-N 403.276 4.992 0 1 HJAF COc1ccc2c(C)cc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc2c1 587868753 SDGSJERWROHFQN-UHFFFAOYSA-N 414.387 4.827 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(CC)cc2)[nH]n1 587872262 JBYCKSYSQITNJG-UHFFFAOYSA-N 404.445 4.729 0 1 HJAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949439 GQROBGKKQAXYGZ-NTCAYCPXSA-N 419.506 4.776 0 1 HJAF COc1ccc([C@H](C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653767421 PKXJFNBVHHSFBK-RNODOKPDSA-N 402.462 4.873 0 1 HJAF COc1ccccc1[C@@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962635481 RTYBWMQNOJMGOU-FYSMJZIKSA-N 409.551 4.942 0 1 HJAF COc1ccc(Cn2cccc2[C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)cc1 962640061 YSGZYLGDVMQHRY-GKVSMKOHSA-N 406.526 4.528 0 1 HJAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccccn3)c2)[nH]1 1857573646 QJQMORJAQNKCGP-UHFFFAOYSA-N 405.458 4.647 0 1 HJAF O=C(N1CCN(c2cnccc2-c2ccccc2)CC1)N1CC[C@H]1c1ccc(F)cc1 1857580899 IVSDSVLGMPLSND-QHCPKHFHSA-N 416.500 4.577 0 1 HJAF C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H](C)N1C(=O)Nc1ccc(Cl)cc1 1857614678 GILHKVVZBHYOOG-GASCZTMLSA-N 411.889 4.853 0 1 HJAF C=CC(=O)N1CC[C@H](Oc2cccc3[nH]c(-c4n[nH]c5cc(C(F)F)ccc45)cc23)C1 1911581175 LBCGVXHTXJMXAA-AWEZNQCLSA-N 422.435 4.815 0 1 HJAF CC(C)c1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NC2CCCC2)n1 13660310 IDADGOFVORGBLV-UHFFFAOYSA-N 405.502 4.540 0 3 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1nn(-c3ccc(F)cc3)nc12 6482833 JAUDVHBWCFGZJO-QZOZEGTJSA-N 407.533 4.744 0 1 HJAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 13733968 GMKUSBWKAXHTDE-ROUUACIJSA-N 400.513 4.866 0 1 HJAF O=C1NS(=O)(=O)N(Cc2ccccc2-c2ccccc2)c2c1sc1ccccc21 13805284 FBEQPOTWSWGWIC-UHFFFAOYSA-N 420.515 4.563 0 1 HJAF Cc1nc(-c2cccc(Nc3nccc(NC[C@@H](O)c4cccc(F)c4)n3)c2)cs1 45189667 MDSJVPFVVPCSRU-HXUWFJFHSA-N 421.501 4.937 0 1 HJAF CC(C)(C)OC(=O)NCCCC(=O)O[C@@H](Cn1ccnc1)c1ccc2ccccc2c1 49069659 FMUYOSUHKHSLDN-NRFANRHFSA-N 423.513 4.626 0 1 HJAF O=C(O)c1cn(C2CCCC2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O 72107553 LQUYGBJYDKBFDM-UHFFFAOYSA-N 415.848 4.904 0 1 HJAF Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2C)o1 82177392 BOLHPCRXKLGOKS-UHFFFAOYSA-N 400.438 4.756 0 1 HJAF Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c12 84669739 DSGIFSYRDBJSLD-UHFFFAOYSA-N 421.844 4.960 0 1 HJAF C[C@@H](C(=O)O)n1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 103182338 AJYZRJDKVYARPT-ZETCQYMHSA-N 403.719 4.681 0 1 HJAF CCCCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 136827118 YFMVNSXCQDOXTF-HSZRJFAPSA-N 408.542 4.569 0 1 HJAF C[C@@H]1C=CCC(=O)N2[C@H](CC(=O)N[C@@H]1c1ccccc1)C[C@@H](C)[C@@H]2c1ccccc1 254043342 KZQIDWVGSIGTGJ-JTCAYIODSA-N 402.538 4.808 0 1 HJAF Cc1c(Br)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1C 586914044 ZFCYIKFTXRULMK-UHFFFAOYSA-N 401.304 4.744 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587247814 UQMLQAQXGADNIR-UHFFFAOYSA-N 421.522 4.771 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587601818 FUMSQNMGUVXFME-RCZVLFRGSA-N 418.445 4.731 0 1 HJAF CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610575 PUWVNTZOIAJBCA-RCZVLFRGSA-N 418.445 4.821 0 1 HJAF CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccc([C@@H](C)CC)cc12 587643622 VRFQHMYGOGBCOY-AWEZNQCLSA-N 404.466 4.654 0 1 HJAF Cc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587743726 PLEJNYCCDOOERT-XCLFUZPHSA-N 405.311 4.675 0 1 HJAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587762288 SDRIHHPTRNNYHB-AGKSTNPPSA-N 411.359 4.519 0 1 HJAF Cc1cc(C)c2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)coc2c1 587840511 YGHZZRPYBNKFKL-YUNKPMOVSA-N 416.290 4.935 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1 587847258 SYDAWBBWQITGFM-ADLMAVQZSA-N 423.351 4.986 0 1 HJAF CCOC(=O)Cc1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1 587936050 QEFUPAAGRNCQBP-UHFFFAOYSA-N 404.510 4.927 0 1 HJAF C[C@]1(c2cc(-c3ccc(Cl)cc3Cl)no2)N[C@H](C(=O)O)Cc2cccc(F)c21 962914235 SEADCDWZFLWVFF-OXJNMPFZSA-N 421.255 4.650 0 1 HJAF COc1ccccc1[C@@]1(c2ccc(Br)cc2)NCCc2c(C)ccnc21 963070642 PKRAHDIHCRLJAB-JOCHJYFZSA-N 409.327 4.599 0 1 HJAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@H](C)C=CC(=O)N2CCC[C@H]2C(=O)O1 2356322834 BWNYFNVEJYUZSV-YFNVTMOMSA-N 407.595 4.887 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(COC(C)=O)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@H]12 2356527846 JBMZWHIPLKEEMI-DJCPXJLLSA-N 402.531 4.813 0 1 HJAF COc1ccccc1CNc1nc(NCc2ccccc2OC)c2sccc2n1 61929199 UUDJFELAGLTVIE-UHFFFAOYSA-N 406.511 4.933 0 3 HJAF COc1cc2ncnc(Nc3ccc4nn(Cc5ccccc5)cc4c3)c2cc1OC 840868 FKJCZRCJMVYSPV-UHFFFAOYSA-N 411.465 4.789 0 1 HJAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4153836 QGVNAVAZXQTHNI-GNOCETLISA-N 422.456 4.787 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1c(F)cccc1Cl 4296632 XWRXBQYMWMTQQZ-FPOVZHCZSA-N 418.896 4.886 0 1 HJAF CCCOC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473436 PICOWOXEXWMNKL-NRFANRHFSA-N 412.438 4.559 0 1 HJAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 13607595 RIODAMKKYXEOCC-OAQYLSRUSA-N 419.550 4.759 0 1 HJAF O=C(O)C[C@@H]1CCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729542 DGFYLYZJBZURJS-HNNXBMFYSA-N 408.325 4.896 0 1 HJAF O=C(O)C[C@H]1CCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729545 DGFYLYZJBZURJS-OAHLLOKOSA-N 408.325 4.896 0 1 HJAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCI)[C@H]1CCC2=O 14947038 YFNOWJDURKUMMD-YAJHFMINSA-N 424.322 4.813 0 1 HJAF N[C@@H]1Cc2c3n(c4ccc(O)cc24)C(=O)C[C@@]2(CCc4ccccc4)CCC[C@@H]1[C@@H]32 27897389 FKZCKLKFSSSCHI-JASAYYIXSA-N 400.522 4.777 0 1 HJAF COc1cc(/C=C/c2ccc(O)c(OC)c2)nc(/C=C/c2ccc(O)c(OC)c2)c1 28949006 KWAMKCMHCVLFEH-KBXRYBNXSA-N 405.450 4.859 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@H](O)c3cccc(C)c3)CC2)cc1 39238991 COBAOKOUJPXTJY-KAYWLYCHSA-N 416.565 4.596 0 1 HJAF CN(c1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCN(Cc2cccc(F)c2)C1 45190736 IUYQDDOYXKCDEA-DEOSSOPVSA-N 421.491 4.928 0 1 HJAF COC(=O)n1c([C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)O)nc2ccccc21 49112748 IFLNBOXJWJFGFW-ZSTXGWIISA-N 424.456 4.726 0 1 HJAF NCC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1 58568616 QWNXSMLOHRKBQW-UHFFFAOYSA-N 416.573 4.612 0 1 HJAF CCC(CC)(CNC(=O)C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 72114234 MUGFQXDDVHPGDF-UHFFFAOYSA-N 410.577 4.954 0 1 HJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3C)c2ccc(O)cc2)cc1 100999299 IHGJYBHYZNYXJH-GOTSBHOMSA-N 404.554 4.933 0 1 HJAF COC(=O)CCCCCCCO[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl 103276836 AYKCFQCLILVCPC-GOSISDBHSA-N 414.333 4.856 0 1 HJAF COc1cc([C@@H]2[C@@H](C)[C@@H]3[C@@H](C)Cc4c(c(=O)[nH]c5ccccc45)[C@@H]32)cc(OC)c1OC 169338481 SNAXARGFHLLBSW-PNTIXQPKSA-N 419.521 4.879 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1cccc(C)c1 203880633 LEEQHJKKPBUKQH-IBGZPJMESA-N 424.884 4.665 0 1 HJAF CC(=O)O[C@@H](CO)COC(=O)[C@@H]1C(C)=CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 238743914 WYTVDHJDWVCVFI-FDGCDDQTSA-N 420.590 4.669 0 1 HJAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@H](C)[C@@H]21 253656825 ZNSKOGGQUHKREZ-SMDAXQMVSA-N 402.560 4.525 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C5 255213319 GPOVTJUXVPPEKR-TUFXMJQRSA-N 413.646 4.627 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12 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COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cnccc3[nH]2)cc1OC 587056953 LPHBDPRSKYOABU-UHFFFAOYSA-N 408.845 4.548 0 1 HJAF Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1C 587107237 HYMULLOFFDQAAM-INIZCTEOSA-N 423.460 4.724 0 1 HJAF Cc1cc(Br)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587167773 CZWMMYPURFPGAA-UHFFFAOYSA-N 412.266 4.898 0 1 HJAF COc1cc(C)c(N)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587249449 LZNSWLXXTCLZSO-UHFFFAOYSA-N 400.198 4.910 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cncnc2)[C@H]1c1ccc(F)cc1 587346727 NAQRZHKFGGGKNH-UKILVPOCSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2 587383349 SETPWCCZOMMSGI-XOBRGWDASA-N 404.432 4.846 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O 587427065 GEJNGONXNPFJSO-FDDCHVKYSA-N 409.844 4.761 0 1 HJAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587495036 BFIGERBLIVQKEF-IBGZPJMESA-N 415.283 4.821 0 1 HJAF CN(C)/C=C/[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543342 BJITXXGXLOZRLG-VQMHNJBBSA-N 421.880 4.978 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(N2CCCC2)c1 587553951 BZEKCSRIGJKGFJ-ZJSXRUAMSA-N 405.425 4.834 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)cc1F 587554618 JBCUGVCUILXBID-PXNSSMCTSA-N 402.324 4.836 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CO)(c1ccccc1)CC2 587607280 HGHRVTLJCMFHKA-OIEGUCRUSA-N 416.473 4.597 0 1 HJAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cc(Cl)c(F)cc12 587630698 AKZUJZYBEHNWFK-UHFFFAOYSA-N 404.825 4.564 0 1 HJAF Cc1nc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587683819 PEXTVAWUOQVSRY-ZKANADHPSA-N 414.116 4.678 0 1 HJAF COc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805905 IBYBTMFBWXAAHO-ODXCJYRJSA-N 408.311 4.598 0 1 HJAF CCc1ccc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839626 TXZSLENKYMFHEJ-PRWKNARSSA-N 416.290 4.881 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2sc(C)c(C)c12 587869401 JAAYJSDXUBBBIM-UHFFFAOYSA-N 405.405 4.583 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1nc(-c2ccccc2C)no1 587871047 XXNXCTNXGVFOAY-UHFFFAOYSA-N 420.444 4.719 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cc(F)cc(F)c1)c1ccc(C)cn1 963609421 NGYDLDROPRCAEZ-OYLFLEFRSA-N 410.464 4.512 0 1 HJAF O=C(O)c1cccc(-n2c(/C=C/c3ccc(Cl)s3)nc3ccccc3c2=O)c1 1857599853 YPNKMYWQNJRGTE-PKNBQFBNSA-N 408.866 4.969 0 1 HJAF O=c1c2c(F)cccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12 1857647296 OJEBWOWPCAFLOP-UHFFFAOYSA-N 420.421 4.856 0 1 HJAF CC1=CC[C@H]2CCC[C@@]3(CCC[C@@H]3[C@H](C)C=C[C@@H](O)C=C(Cl)CCOC1=O)N2 2356342687 YETAKRZPZUKKMS-PUUIZUCUSA-N 407.982 4.627 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C4C(=O)OC(=CC[C@@H](C)CNC)[C@@]4(CC3)[C@H]21 2356726615 YUCZIRLWTHNMNY-FKHUKJOISA-N 423.553 4.573 0 1 HJAF COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@@H](C)CCO)[C@]2(C)C1 2356788562 XHWGHIJXIYCDEW-BJVKBHAYSA-N 408.579 4.669 0 1 HJAF COc1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(Cl)cc2)cs1 61930139 FCRFNXVOUOIFQR-AWEZNQCLSA-N 402.907 4.692 0 3 HJAF COc1cccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4)c(C)nc32)c1 1372446 VGEFAHHJNIVNDX-UHFFFAOYSA-N 401.470 4.749 0 1 HJAF O=C(NCCN1CCCCC1)c1cncc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 1492350 NDMXIRHNMLYEII-UHFFFAOYSA-N 419.500 4.896 0 1 HJAF COc1ccc([C@@H]2[C@@H](CC[S@](=O)c3ccccc3)C(=O)N2c2ccccc2)cc1 27876314 XVOWVXCTMBRZGL-VDWGHMIBSA-N 405.519 4.597 0 1 HJAF CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O 42878290 RIDJNBLBTJSDHV-VWLOTQADSA-N 418.537 4.511 0 1 HJAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccc(F)cc2)c1N 45350246 AITDJEDPPDPWDI-UHFFFAOYSA-N 415.424 4.525 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO 95604309 FXJNLPDGOMRLCK-IEZKXTBUSA-N 419.569 4.570 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1cccc(F)c1F 116815283 WVXWEWXVLIUSCI-UHFFFAOYSA-N 408.330 4.694 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(-n3cnnc3)c2)cc(-c2ccc3ncsc3c2)n1 141807508 JMWCPPDFCFYHAE-AWEZNQCLSA-N 413.510 4.816 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCNC5)nc32)CC1 169700150 OEJRGRXZSULSGO-WOVMCDHWSA-N 413.529 4.515 0 1 HJAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)[C@H](Nc1cccc(O)c1)c1ccccc1 202050219 HHAPVDUUMXLJHB-LJQANCHMSA-N 415.478 4.670 0 1 HJAF O=C(Nc1ccc(F)c(F)c1)Nc1cc([C@H]2CC2(F)F)nn1Cc1ccccc1 299830367 WJKIQMLMTOSNHN-CQSZACIVSA-N 404.367 4.976 0 1 HJAF CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3cccnc23)cc1 473168082 JQWIUJNICDEZPA-UHFFFAOYSA-N 417.490 4.661 0 1 HJAF CC(C)(C)c1cccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955958 XIBOIVGWLURTKT-UHFFFAOYSA-N 403.935 4.575 0 1 HJAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(F)c3[nH]2)C[C@@H](C)O1 586967783 DYVPHWVNEVVRGJ-OKILXGFUSA-N 423.517 4.551 0 1 HJAF Nc1ccc2c3c([nH]c2c1)-c1nc2ccc(O)c4c2c(c1CC3)-c1ccccc1C4=O 586989771 QMOOMIUHMIZIJN-UHFFFAOYSA-N 403.441 4.981 0 1 HJAF O[C@H](c1ccc(Br)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586997125 NLVYAIQTPCRSDI-HXUWFJFHSA-N 409.283 4.986 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587044643 KHFNOUXSCDCZEY-UHFFFAOYSA-N 403.168 4.875 0 1 HJAF C[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc(Cl)cn1 587079579 LEGBHZQHGPVTID-ZCFIWIBFSA-N 409.593 4.683 0 1 HJAF Cc1cc(F)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 587140096 GGEDLBQEOFLQAK-UHFFFAOYSA-N 417.412 4.756 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCCCC3)c(Cl)c1)O2 587372959 CBKMMNXZHYVJEW-QFIPXVFZSA-N 414.933 4.802 0 1 HJAF CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398335 DYMNXFWIENPIEF-NLFFAJNJSA-N 409.526 4.847 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cc4)cc1OC)[C@@H](C2)C3=O 587445226 ZVWYWLPIPPYPSC-CPJSRVTESA-N 400.430 4.672 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O 587470821 MFRBCYARUXWFDD-DEOSSOPVSA-N 407.466 4.573 0 1 HJAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)C 587597127 SKDWXMGUZBVVPT-GBXCKJPGSA-N 406.434 4.891 0 1 HJAF CC[C@@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598533 BMRDZMAYEYAXAY-URXFXBBRSA-N 406.434 4.677 0 1 HJAF CC(C)(C)c1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600494 BFGKOXVBNVIJNE-NLFFAJNJSA-N 418.445 4.631 0 1 HJAF Cc1nc2scc(C3CC3)n2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620114 XIKXLCMMCBNGGV-PGRDOPGGSA-N 418.474 4.990 0 1 HJAF Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 587627409 VFDIRPGWSUDXDX-DEDYPNTBSA-N 422.916 4.642 0 1 HJAF Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587683758 XGHZTBWJJJZEBT-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587752589 SDBOFYYIYMEAHH-CFMSYZGJSA-N 418.310 4.916 0 1 HJAF Cc1nc2ccncc2cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587780020 XKYMDLVASCWNBX-GIPWTMENSA-N 400.295 4.638 0 1 HJAF CCC[C@@H](CC1(c2nc3cc(N)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782329 SARNQUPBFGMSBO-SFHVURJKSA-N 406.530 4.902 0 1 HJAF CCOc1cc(F)c(F)c(F)c1[C@H]1c2cccc(Br)c2CCN1C 963289216 JUMIZQZZLYFUTO-GOSISDBHSA-N 400.238 4.842 0 1 HJAF COCOc1ccccc1C[C@H]1Cc2cccc(OCCc3ccccc3)c2C1=O 1857631351 ZOUAEVKFOXGZSH-QFIPXVFZSA-N 402.490 4.889 0 1 HJAF COc1ccc(N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=S)cc1Cl 1857756136 XKISOCDOFBUZGI-UHFFFAOYSA-N 414.836 4.501 0 1 HJAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]21C 2356674083 UDSKICOBWGFUCN-ZPFZUWPUSA-N 402.531 4.798 0 1 HJAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)[C@H]1c1c[nH]c2ccccc12 2469295 IIOGCOSWGVBHOG-DHIUTWEWSA-N 413.452 4.856 0 1 HJAF CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1ccncc1 9393854 PKNMKZPUEKUFKP-RRMQHPPMSA-N 420.494 4.523 0 1 HJAF C[C@H]1CCC[C@@H](NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C 12531717 ZRHSCMXFOILLCB-MBKAAHDRSA-N 403.513 4.846 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)[C@@H]3CCCC(C)(C)C3=CC[C@]12C 13300997 SNAPRBPUTMWLTO-TUXOOGPHSA-N 420.590 4.669 0 1 HJAF biogenic O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/S(=O)(=O)Nc1ccccc1 13761275 HLWMGOZZPYXRIM-VOTSOKGWSA-N 411.266 4.586 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26384349 GLSZMIVCBQXSEA-DTBQZZNTSA-N 402.623 4.725 0 1 HJAF C[C@H]1CCCN(c2ccc(Cl)cc2[C@@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)C1 27564690 GNZNTVYPOYQFEC-JKSUJKDBSA-N 414.933 4.694 0 1 HJAF O=C(O)/C(=C/c1ccc(-c2ccccc2C(F)(F)F)o1)NC(=O)c1ccccc1 28523027 XTLVAMKJCFNPFC-ATVHPVEESA-N 401.340 4.821 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F 35983913 DJRNAIGSFHOUFL-HXUWFJFHSA-N 410.411 4.914 0 1 HJAF CCOCCCn1c(CC)nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc21 40405949 SOGZSYSTRNRYSZ-UHFFFAOYSA-N 405.502 4.721 0 1 HJAF CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3Cc3csc4ccccc34)nc2C1 40917934 VJRVFMBXYXSIMM-HNNXBMFYSA-N 412.580 4.961 0 1 HJAF C[C@@H]1CC[C@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 64502282 IDEDPGPONCPOBU-IDCXYZFESA-N 414.343 4.759 0 1 HJAF COc1cc2nc(N3CCCCCC3)nc(NCc3ccc(C)cc3)c2cc1OC 82130803 KJYRIRYQDXVWER-UHFFFAOYSA-N 406.530 4.948 0 1 HJAF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\CCC)[C@]4(CC3)[C@@]21CCO 85571574 ZTOVGCNYWBLMSL-IYVODQLFSA-N 424.537 4.880 0 1 HJAF biogenic,in-vitro O=C(O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cc1 118601542 PYTGLHXTDRPBMK-HXUWFJFHSA-N 422.506 4.641 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2cncs2)c1 167811346 MAHWHRGRZKEEJX-QAPCUYQASA-N 408.523 4.937 0 1 HJAF O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1 169704086 YEFICWLMKHAHHW-UHFFFAOYSA-N 413.481 4.542 0 1 HJAF C[C@H]1CO[C@@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1 221107876 QOJWPPCQEHEMIO-IFXJQAMLSA-N 405.889 4.640 0 1 HJAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1-c1ccccc1 222366835 WUWGDDJIQSVRRK-UHFFFAOYSA-N 411.509 4.788 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299821167 XZGUOAXOYPYCGD-ZVGQTJLQSA-N 400.607 4.645 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@H]2CCCC[C@H]21 587025245 GCIUINPTMQZJLZ-BMFZPTHFSA-N 400.935 4.748 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2 587030631 GUEJDVTXGFWGII-VYJZUSIPSA-N 406.483 4.968 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587032747 BHJIDVSGCLCHKO-HNAYVOBHSA-N 407.499 4.773 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 587039798 FWSLLCKCHLQNBR-UKRRQHHQSA-N 414.403 4.558 0 1 HJAF COC(=O)c1cc(Cl)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1 587133644 XKRXBISHEHKMEU-UHFFFAOYSA-N 401.608 4.680 0 1 HJAF Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 587165350 RRVPBOBYZMBTRW-UHFFFAOYSA-N 411.309 4.663 0 1 HJAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587174890 NJAIZKJTNMIKQT-GFCCVEGCSA-N 412.774 4.978 0 1 HJAF CC(C)COc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587242281 PLALFKIQYODUHX-UHFFFAOYSA-N 403.280 4.518 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1Br)O2 587377077 KTYNYQSCIJXLCN-OAHLLOKOSA-N 411.093 4.809 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCC1OCCO1)(Cc1ccc(F)cc1)O2 587383722 FJFLTJTYECUVEM-XMMPIXPASA-N 413.489 4.596 0 1 HJAF COC(=O)[C@@H](Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 587400293 MKBBOCZAECIAPX-GOTSBHOMSA-N 417.461 4.577 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587477208 WNAOHJVVNQXKOQ-LJQANCHMSA-N 403.519 4.716 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCSCC1 587539004 TZBXMUOSKVCIPF-DEOSSOPVSA-N 423.578 4.829 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccncc1 587585943 ITPWNMIAOOJPKL-BVAGGSTKSA-N 409.441 4.887 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC 587698108 YFRLAKBTTJLHAV-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF CCCCc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1 587702450 XRZPANHARSTVPN-BJOHPYRUSA-N 400.723 4.931 0 1 HJAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587709207 JKOYHSSJLJYHIQ-MGPLVRAMSA-N 403.217 4.632 0 1 HJAF CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587716710 JRCQBSHYKJHHPC-OVWNDWIMSA-N 410.258 4.613 0 1 HJAF CC(=O)n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587755574 HVHFMPFTRUBFJR-BIBXISHDSA-N 401.279 4.827 0 1 HJAF CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587852133 DJDSAZSXSYYUEN-GSVUYHFHSA-N 424.335 4.656 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccc(OC(C)C)cc1)(c1ncco1)N(C)[C@H](C)C2 962618743 CCUFIFQELOWNFL-CRICUBBOSA-N 422.525 4.647 0 1 HJAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3ccc(-c4cccnc4)nc3)C2)cc1 962637846 KGURBBPAQJHCNQ-LBNVMWSVSA-N 418.544 4.980 0 1 HJAF Cn1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(C(C)(C)C)n1 962642100 UGKXJNZQFUETOB-XUZZJYLKSA-N 400.570 4.554 0 1 HJAF COc1ccc2c(c1)c([C@H]1N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)cn2C(C)C 962761222 HFIHYPLVJYADKE-FPOVZHCZSA-N 416.443 4.966 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(NC(=O)Oc3ccccc3)cc1)NCC2 962921614 OYIIFNKZGXGOJW-XMMPIXPASA-N 404.514 4.564 0 1 HJAF Cc1cc(C)c(C(=O)C[C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1 962973363 VZDKXXYVEFZTHP-AOMKIAJQSA-N 421.871 4.631 0 1 HJAF COC(=O)c1[nH]cc2c1[C@]1(CNc3ccc(C)cc31)c1[nH]c3ccc(Cl)cc3c1-2 2356550033 ASULDJILRFHGPX-HSZRJFAPSA-N 403.869 4.985 0 1 HJAF 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4.518 0 1 HJAF O=C(c1cccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 149582614 NSOMNWDSWCPLDK-FQEVSTJZSA-N 407.420 4.645 0 1 HJAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697199 BRANQVYSEMSFOV-TYKWCNGQSA-N 414.590 4.706 0 1 HJAF C[C@H](C[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](C)[C@H]3O)C(=O)O 299848326 LPHVFIFMGROHAK-RCYOWCBISA-N 420.634 4.970 0 1 HJAF Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Cl 586938754 RANRZJDSVVHCKI-KRWDZBQOSA-N 412.342 4.854 0 1 HJAF O=C(NCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O)OCc1ccccc1 586988551 LNIVXXKNWISODX-UHFFFAOYSA-N 424.456 4.621 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587126974 PPCFETRIASTCSJ-QPUJVOFHSA-N 414.229 4.805 0 1 HJAF Cc1ccc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587146862 YWHZGUHHXCOISK-PLNGDYQASA-N 413.621 4.834 0 1 HJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587148263 AIHJRLUCVHKMFW-DEOSSOPVSA-N 416.500 4.736 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 587240583 KWJKTUFMGBGXPU-UHFFFAOYSA-N 419.279 4.748 0 1 HJAF C[C@@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332634 SXNGYCILKWFHOL-QUCCMNQESA-N 420.362 4.564 0 1 HJAF Cc1ccc(Cl)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336552 YYERUWHUAOZYNU-JPYJTQIMSA-N 423.827 4.700 0 1 HJAF COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352422 OHJLPSTTXHUHIW-ZJSXRUAMSA-N 406.409 4.592 0 1 HJAF Oc1nc(O)c2cc(CCc3ccc(Br)cc3)c(-c3ccccc3)nc2n1 587366205 LCFMBDZGCCEEQP-UHFFFAOYSA-N 422.282 4.651 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCN3CCC[C@@H](C)C3)cc1)O2 587397314 ZSNXNXNYUZAOMM-MZNJEOGPSA-N 408.542 4.785 0 1 HJAF CCCCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447777 VEYNMMWLZFWXBU-CJFMBICVSA-N 408.494 4.936 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)cc1)CC2=O 587461521 KNKDUSQNMUAPOP-QFIPXVFZSA-N 402.874 4.812 0 1 HJAF C[C@]1(c2cn(CCC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 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HJAF COC(=O)c1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cn1 586982362 KIKDSKHAZNJLKP-AWEZNQCLSA-N 416.319 4.879 0 1 HJAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccccc1 586988671 VIINRJUZWCNKHM-UHFFFAOYSA-N 418.456 4.767 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1 587031546 IRPIOOZHOHFBGQ-UHFFFAOYSA-N 406.463 4.943 0 1 HJAF COC(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1OC 587112010 JIUYSQBLDLBPAU-UHFFFAOYSA-N 401.344 4.592 0 1 HJAF Cc1cc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)ccc1-c1ccc(C(=O)O)c(F)c1 587145551 YVSMDOPEBPEZMD-UHFFFAOYSA-N 415.424 4.927 0 1 HJAF O=C(O)C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587353323 OQOHFVOEXHLELI-GKLUMCFYSA-N 418.420 4.748 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587422261 XTTRNCRQYWDZLV-RNODOKPDSA-N 406.265 4.537 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4[S@@](C)=O)cc1)[C@@H](C2)C3=O 587447477 AKEAVRVJPIOSPR-YBVHWXSISA-N 404.487 4.588 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Cl 587541015 CWQQAPOXGACQBX-DENIHFKCSA-N 412.825 4.766 0 1 HJAF Cc1nccn1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576694 KETRWXJYLPFYRU-WIOPSUGQSA-N 412.445 4.763 0 1 HJAF C[C@@]1(CCc2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613507 YGRAOFBSBRSONF-DHLKQENFSA-N 418.445 4.517 0 1 HJAF C[C@@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619974 WITQTCPBOCKCEQ-REWPJTCUSA-N 403.459 4.965 0 1 HJAF NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)CC1 587628234 JPKHTMJEVCKLBU-UHFFFAOYSA-N 406.288 4.983 0 1 HJAF Cc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658550 OOCRKGLYQSLHAA-MRXNPFEDSA-N 402.425 4.619 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccccc2[nH]c1=S 587661264 MSGASZDWFJACAC-UHFFFAOYSA-N 400.438 4.798 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1 587706526 QNYFOUQEWMFQQJ-XXFAHNHDSA-N 420.200 4.746 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2F)N1 587736967 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CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)n[nH]c1=Nc1cccc(Cl)c1 1857752166 LTIXXWGYVVFARV-UHFFFAOYSA-N 424.976 4.973 0 1 HJAF Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1N/C=C1\C=Nc2ccccc21 13119363 UIYFMBPDRIPACL-XDJHFCHBSA-N 422.488 4.893 0 3 HJAF Cc1cc(N2CCN(C(=O)Oc3ccc(-c4ccccc4)cn3)CC2)c2ccccc2n1 95570187 UJAPZGDOBGLQJC-UHFFFAOYSA-N 424.504 4.926 0 3 HJAF COc1ccccc1N1CCN(CCCCc2cc(-c3ccc(F)cc3)no2)CC1 13441297 HIIUKDCXWBFGHZ-UHFFFAOYSA-N 409.505 4.634 0 1 HJAF Oc1ccccc1[C@H]1CN2CCC[C@H]2c2cc(OCCCN3CCCCC3)ccc21 58509446 MWVCQJIYVWMESH-DQEYMECFSA-N 406.570 4.929 0 1 HJAF CCN(C)c1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 82153369 CLWIBJSJFHDXAP-UHFFFAOYSA-N 402.542 4.995 0 1 HJAF CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178215 JENXDERDCGRDLM-NRFANRHFSA-N 412.541 4.590 0 1 HJAF CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21 82178537 MIWKNOMDFGCXIG-SFHVURJKSA-N 418.570 4.651 0 1 HJAF Clc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)cc1 82184894 REKOTYQJGWCPSQ-KRWDZBQOSA-N 409.877 4.531 0 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O=C1C[C@@H](c2sc(Br)c3c2OCCO3)Oc2c1ccc1c2CCCC1 587533063 UAGCWXKOUYJLLD-AWEZNQCLSA-N 421.312 4.867 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Br 587540882 RRKKUZQVYDFTIH-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 587554242 WMUOHPBEWOWTAR-GCJKJVERSA-N 406.825 4.635 0 1 HJAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587709209 JKOYHSSJLJYHIQ-QLJPJBMISA-N 403.217 4.632 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587728558 FIRMIGWBGPDCMA-UGZDLDLSSA-N 422.248 4.880 0 1 HJAF Cc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587796150 PKLQEPZFMZIFOA-MLCYQJTMSA-N 402.267 4.570 0 1 HJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813335 UYLQUMIKAYUEOM-YUNKPMOVSA-N 406.295 4.701 0 1 HJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835252 ONAZOXOWPYXDCZ-ZSEKCTLFSA-N 420.322 4.937 0 1 HJAF Cc1cc(=O)oc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc12 587837325 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CC[C@H](CO)Oc1cc(NC(=O)c2cccc(Cl)c2)c2ncn(C(C)C)c2c1 36389252 HEJXAKDXRVVZIC-MRXNPFEDSA-N 401.894 4.673 0 3 HJAF Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3)n2)cc1 3822305 MLNSFBMGRWGGII-UHFFFAOYSA-N 415.472 4.863 0 1 HJAF CO[C@H]1[C@H](OC(=O)c2cccc(Cl)c2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5963932 QBAFOIZSLVPHRY-UXHICEINSA-N 414.841 4.531 0 1 HJAF c1ccc(COC[C@H]2O[C@@H]3c4ccccc4CO[C@H]3[C@@H]2OCc2ccccc2)cc1 16953206 DDSMNKYRACJCFU-VEYUFSJPSA-N 402.490 4.828 0 1 HJAF COc1ccc(C2=NN(CCCOc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26571824 TVGJNNOUNWXDCO-RTWAWAEBSA-N 422.525 4.526 0 1 HJAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1 28567300 KHAQBUWHUVJZFQ-CLJLJLNGSA-N 420.572 4.915 0 1 HJAF Cc1ccc(-n2ncnc2-c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)cc1 32955181 VNISAKXPYGOBHO-UHFFFAOYSA-N 424.504 4.549 0 1 HJAF Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1 43020599 RQJJJEPZUUJDOD-GOSISDBHSA-N 419.344 4.595 0 1 HJAF Clc1ccc(-c2[nH]nc(C3CCN(C4CCOCC4)CC3)c2-c2ccncn2)cc1 49070885 BBLISCCVJUMGGG-UHFFFAOYSA-N 423.948 4.546 0 1 HJAF Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccc3ncccc3c2)n1 49802630 INVLKWXJDGRCQV-UHFFFAOYSA-N 419.488 4.616 0 1 HJAF Oc1ccccc1C1=N[C@H](c2ccc(Br)cc2)N[C@@H](c2cccnc2)C1 58015054 NLSBHRRHLAPICM-WIYYLYMNSA-N 408.299 4.772 0 1 HJAF O=C(CCC1CCN(Cc2ccc(O)cc2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 66113090 BBXSIHLAWFYROK-UHFFFAOYSA-N 416.521 4.808 0 1 HJAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CCN1CCCCC1 82186657 RUQWQKYMQSXBOD-UHFFFAOYSA-N 420.605 4.700 0 1 HJAF O=C(CC1CCCCC1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115646482 LTOSNLRMOKDOMV-XMMPIXPASA-N 408.929 4.810 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc4c3CC[C@H]4N=O)n2)cc(OC)c1OC 169686085 DHWMHOBCXIDJSM-MRXNPFEDSA-N 422.441 4.792 0 1 HJAF CCOc1ccc(-n2c(O)c3c(c2O)[C@H](c2ccco2)N(c2ccccc2)O3)cc1 169691365 NGUFDABXNVTVSN-FQEVSTJZSA-N 404.422 4.784 0 1 HJAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(-c3cccc4ccccc34)ccc1-2 209711069 KUAWUJAUVSNGGG-NRFANRHFSA-N 424.500 4.844 0 1 HJAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(I)cc2[nH]1 587027126 PLNZEPZUOQCAJN-UHFFFAOYSA-N 421.263 4.783 0 1 HJAF C[C@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331654 DYVYSZPHGOFQGB-LADGPHEKSA-N 405.425 4.678 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 587335938 ITYSINXRCSHODF-ZCYQVOJMSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1cccnc1)O2 587372228 ONSWHKRULZQXJW-OAQYLSRUSA-N 409.283 4.644 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCCN(C(=O)OCc3ccccc3)C1)CC2=O 587474727 JDOYHGMPUXQXLF-RUZDIDTESA-N 423.509 4.871 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)cc2)on1 587569953 JNQWZJTUNBXTJY-OFNKIYASSA-N 403.365 4.889 0 1 HJAF Cc1cc(C)c2nc(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587590006 ZDZGOBOLXMBGJO-GBXCKJPGSA-N 413.429 4.966 0 1 HJAF Cc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587612265 JAEPVBFULHRMTJ-REWPJTCUSA-N 424.474 4.792 0 1 HJAF CCCOc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656877 SRGOTRWEURSMPW-UHFFFAOYSA-N 420.415 4.819 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711529 KWUNYWXGMSSHAI-VPTHRUTESA-N 404.201 4.936 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)F)cc2)N1 587716167 ISNPBERBXWYYMB-YPMLDQLKSA-N 400.238 4.856 0 1 HJAF COc1ccc2c(c1OC)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587805831 GFRGBGUMLICYBV-XUSGNXJCSA-N 420.322 4.720 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835257 ONNHZBUZDMCCAP-YUNKPMOVSA-N 406.295 4.547 0 1 HJAF Cc1ccc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837994 LZLKWFIWVLILGX-NSPYISDASA-N 402.263 4.627 0 1 HJAF C/C(=C\[C@]1(c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587854189 QJCAXAUKQVLJRX-GLEYLAJFSA-N 409.368 4.893 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccc(F)cc1F 587861264 PRLPZFRCTQGCMX-UHFFFAOYSA-N 411.330 4.608 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccc(C)nc1)(c1ccc(F)cc1F)N(C)[C@@H](C)C2 962634619 UOCDWNGGLNAGAP-LMKMVOKYSA-N 424.491 4.854 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cc(C)ccc2C)C(=O)OC)cc1 1772576101 YYDOIEYYLXOTIJ-MHECFPHRSA-N 411.542 4.691 0 1 HJAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCc4ccc(-c5ccccc5)o4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356762635 KHGOMJMMQNGHLI-MOANUIKHSA-N 416.517 4.955 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356856965 SFAOZGQLBGGDOT-XEJYLCLJSA-N 408.582 4.807 0 1 HJAF O=C(NCc1ccccc1Cl)c1ccc(CSc2nc3ccncc3[nH]2)cc1 15961249 SMZBXXUMVYVYLM-UHFFFAOYSA-N 408.914 4.834 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCc1ccccc1N 4080449 VZBRFDOSAVIHKJ-ZEQRLZLVSA-N 423.557 4.998 0 1 HJAF O=C1O[C@@H](Cn2ccnc2Cc2ccccc2)CC1(c1ccccc1)c1ccccc1 13651106 WTQYJGYSXRZRBQ-XMMPIXPASA-N 408.501 4.776 0 1 HJAF CO[C@@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1 13730559 JNJRDSMXUNXNRZ-MSYCTHLASA-N 410.539 4.738 0 1 HJAF O=C(c1cccs1)c1cnn2c(-c3cccc(NC(=O)C4CCCC4)c3)ccnc12 28343598 AWHRWHFMPJQCOZ-UHFFFAOYSA-N 416.506 4.818 0 1 HJAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4n[nH]cc4C4CC4)c3c2C)cc1 28569478 RAUKMMLFARMMTG-UHFFFAOYSA-N 416.529 4.957 0 1 HJAF Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)n1 34035894 MNTICTRHEAMUDV-UHFFFAOYSA-N 404.461 4.859 0 1 HJAF COc1ccc([C@@]2(C)c3cc(C(=O)O)sc3C(=O)c3c2c2ccccc2n3C)cc1 40466044 FOBQJSLREWQFNM-DEOSSOPVSA-N 417.486 4.845 0 1 HJAF O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 40974384 BRFHIYNXBGFEBI-UHFFFAOYSA-N 423.856 4.689 0 1 HJAF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc3ccccc23)n1C1CC1 66077734 GZKXLOHNLDAQGY-XDOYNYLZSA-N 400.569 4.933 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@H]1CCCN1C 82178105 ZHBGHNOAWQLXFP-TZIWHRDSSA-N 420.605 4.725 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3c(ccc4c3C=CC(C)(C)O4)C(=O)[C@@H]2O)ccc1O 85956035 IOXLCTZITMJUKD-GOTSBHOMSA-N 406.478 4.762 0 1 HJAF endogenous,in-man CC(C)C[C@@H](Nc1cnc2ccccc2c1)c1ccc(C(=O)NCCC(=O)O)cc1 148714656 CUAFDXZIZFDULP-JOCHJYFZSA-N 405.498 4.639 0 1 HJAF Brc1ccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307884 OTENTFSNOVQGTF-SFHVURJKSA-N 409.287 4.706 0 1 HJAF C[C@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccccc5)c5c4[C@@]3(C)CCC5=O)[C@@H]1CCC2=O 169319068 BXNNFPHCTNPRQD-GJDPNALDSA-N 402.538 4.733 0 1 HJAF CN1C(=O)C=C[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@@H]4[C@@H]3CC[C@@H]12 169323364 IVMOGXVDSLYJFW-CUMFWIQYSA-N 424.610 4.956 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@@]4(C)[C@@H]3CC[C@]21C 169713536 CJNYDPBXKCGRGK-GLEGUWMMSA-N 402.623 4.580 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c2c1CC[C@@H](c1ccc(O)cc1)O2 210920264 DVZNBMDGJFHIAK-QFIPXVFZSA-N 420.461 4.694 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)C2 586888040 VYUGLANPDWBBQD-GUBZILKMSA-N 410.109 4.727 0 1 HJAF COc1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)ccc1Br 586975832 GHQRIUKDAMFRMV-HWKANZROSA-N 409.081 4.662 0 1 HJAF Cc1ccc(-c2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cs2)o1 587016283 JCDVNTKOPKEXRU-UHFFFAOYSA-N 404.245 4.716 0 1 HJAF Cc1ccc(C)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 587157261 JUQRZUDADUFGLN-UHFFFAOYSA-N 415.266 4.917 0 1 HJAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355208 WWWUJYXHKBLBKV-ACKPUYRASA-N 424.468 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)O2 587377742 YAJPCXLNCMQZOB-FQEVSTJZSA-N 408.281 5.000 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505160 KXDWEPHKPGSNGG-QHCPKHFHSA-N 400.421 4.658 0 1 HJAF Cn1c(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557083 QCTSOVHWEBBACG-FXAWDEMLSA-N 403.356 4.627 0 1 HJAF CCCOc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br 587566532 RQUNNGDJZXMZCG-UHFFFAOYSA-N 403.276 4.548 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccc(F)c2)no1 587569641 IUDRAMFUMHKBRU-OFNKIYASSA-N 403.365 4.889 0 1 HJAF COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593503 DVZQREDOPOMFEC-QPPBQGQZSA-N 406.434 4.510 0 1 HJAF Cc1nc(-c2ccncc2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612187 KVQKNRSXIAHJPI-WIYYLYMNSA-N 416.458 4.922 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc3c2OCOC3)N1 587695134 IGGYDKOVPGBPBY-XYZCENFISA-N 412.686 4.732 0 1 HJAF COc1cccc(C[C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811145 VLELDYACFSCFOF-ZSEKCTLFSA-N 404.323 4.979 0 1 HJAF CCCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc21 587868958 YICXXFNGOIKUQM-UHFFFAOYSA-N 401.392 4.721 0 1 HJAF COc1ccc([C@]2(CC(C)(C)C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962998247 TZENHXXFQNBBMX-VGSWGCGISA-N 423.887 4.906 0 1 HJAF O=C(O)c1ccnc2cc([C@@H](OCCN3CCCCC3)c3ccccc3Cl)[nH]c12 1772574851 AWPYWZMMJZGPOX-NRFANRHFSA-N 413.905 4.506 0 1 HJAF CC(C)NC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 1772636436 PFELFOCPWCQJBE-GOSISDBHSA-N 404.283 4.857 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@@H](C)[C@]21C 2356534821 JXAWKPXWXJLUMA-UEASEETCSA-N 416.558 4.795 0 1 HJAF CCC(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2 2356570662 QTUISSYYAYQHML-LZQXYRQZSA-N 406.563 4.973 0 1 HJAF O=C(Nc1nccs1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605297 BJBBVMIHYYWZMM-LJAQVGFWSA-N 419.531 4.688 0 1 HJAF CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1ccc(N)cc1 28758820 GADRBFBQHSQFMY-ZCVNEZMMSA-N 417.557 4.735 0 1 HJAF COc1cccc(N2CCN(Cc3coc(-c4ccc(Cl)cc4Cl)n3)CC2)c1 72182313 UAGCXASJDNQXKW-UHFFFAOYSA-N 418.324 4.979 0 1 HJAF O=C(O)Cn1c2c(c3cc(Cl)ccc31)CN(C(=O)c1cccc3ccccc13)CC2 96271037 ULKXLZPONKIBOQ-UHFFFAOYSA-N 418.880 4.731 0 1 HJAF CC(C)n1c(S)nnc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 103189103 KRDSDHPTOHGQKC-UHFFFAOYSA-N 408.556 4.688 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1ccccc1 103215551 MJRKQFCFRQCKQI-KRWDZBQOSA-N 402.742 4.586 0 1 HJAF O=[N+]([O-])c1ccccc1CCc1cc(Br)c(O)c(Br)c1 139477596 XQDILRCJAGHPOL-UHFFFAOYSA-N 401.054 4.611 0 1 HJAF CCc1nn(-c2ccccc2)c2nc(-c3ccc(NC4CCNCC4)cc3)cc(O)c12 165100367 NVSAJOLPIGWYLQ-UHFFFAOYSA-N 413.525 4.519 0 1 HJAF COc1cc(F)ccc1[C@@H]1C[C@@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166865298 LKLSQZHWKXKGKO-CVEARBPZSA-N 417.786 4.814 0 1 HJAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 167789524 ILPKRFOPCQBPFG-IBGZPJMESA-N 423.538 4.785 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]12C 169713459 HNCAMNUTTBOMFY-DVYDIAMOSA-N 402.623 4.725 0 1 HJAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1 169724296 WUXODEPKVBXYQX-NHCUHLMSSA-N 400.438 4.588 0 1 HJAF COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C1=O 299814969 AGCUNNGZFILFIJ-HIFDQRORSA-N 422.569 4.833 0 1 HJAF O=Cc1c(-c2cc3ccccc3oc2=O)nc2sc(Cc3ccc(Cl)cc3)nn12 299827828 IGQQLVMXFRSPTJ-UHFFFAOYSA-N 421.865 4.621 0 1 HJAF CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc(C(C)(C)C)cc3)n2)c1 299857402 CTOGRDMHAXLKPA-UHFFFAOYSA-N 423.492 4.525 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587001962 CDNVUCKJERGILP-UHFFFAOYSA-N 406.081 4.940 0 1 HJAF FC(F)(F)Oc1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 587090154 MJZWNUHGSKIBNX-UHFFFAOYSA-N 408.124 4.759 0 1 HJAF O=C1C[C@@](c2ccc(Br)cc2)(c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587506602 ZDVPDZMMOCKQQJ-JOCHJYFZSA-N 423.310 4.960 0 1 HJAF C[C@@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC(=O)c2ccc3c(c2O1)CCCC3 587512114 UHGSAVIQHXIEOF-RSJIMBNESA-N 407.554 4.620 0 1 HJAF O=C(O)c1cccc2c(C(O)(C(F)(F)F)C(F)(F)F)c(-c3ccccc3)[nH]c12 587638402 XUUCCIUEVQEYPU-UHFFFAOYSA-N 403.278 4.845 0 1 HJAF Cc1cc(C)cc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656557 MZQORYLSFAKCIL-UHFFFAOYSA-N 420.415 4.678 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743961 QJJYGLCGFSAYDQ-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587744667 SFJBQVOCUOOBRY-ODXCJYRJSA-N 405.311 4.653 0 1 HJAF CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587780057 XYKKQPVAORUVFS-PRWKNARSSA-N 419.294 4.869 0 1 HJAF CCc1noc(C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1 587799507 ZRBMFPUYNSJUPB-UHOVJUMYSA-N 408.315 4.621 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc(Cl)cn1 587855720 QUYMXABTKNEBPV-UHFFFAOYSA-N 413.692 4.836 0 1 HJAF COc1ccc(OC(F)(F)F)cc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772640087 SMIAYPZORBCKMH-MRXNPFEDSA-N 422.359 4.559 0 1 HJAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4Cl)n3)c2c1 1857756315 TXXUEHVGHOFRGC-UHFFFAOYSA-N 407.861 4.654 0 1 HJAF CO[C@@H]1O[C@]2(OC)C=C[C@H](C)[C@@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2C(C)=CCC=C(C)C 2356440046 LFEUVENANNYFTC-RGVAKPBFSA-N 404.547 4.641 0 1 HJAF COc1ccc(-c2noc(C)c2C(=O)NCCc2c(Cl)cccc2Cl)cc1 774249 QKZHVGBFZWRFNG-UHFFFAOYSA-N 405.281 4.938 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4[C@H](CCC[C@H]4C)[C@H]3C2=O)cc1 6001914 JQULSAYEPOTISD-ZZRHEVIBSA-N 414.505 4.983 0 1 HJAF Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2cccs2)cc1 20215941 SRYHLAREZDSIQR-UHFFFAOYSA-N 420.943 4.544 0 1 HJAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccc(Cl)cc3)ccc2=O)cc1 25423978 HOXBLNZFQKFWKV-QUCCMNQESA-N 420.940 4.797 0 1 HJAF biogenic CC[C@H](CNc1cc(C)nc2c1NC(=O)CN2c1ccc(Cl)cc1Cl)OC 28460696 ZLFWFBXVOFGYID-CYBMUJFWSA-N 409.317 4.624 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189710 WTMPZTOIYURJBE-LWVUOAAJSA-N 402.623 4.867 0 1 HJAF COc1cc(Nc2nccc(Nc3cc4ccccc4cn3)n2)cc(OC)c1OC 38395266 CWYKWONCBMPHGJ-UHFFFAOYSA-N 403.442 4.538 0 1 HJAF CC(C)C1=N[C@](C)(C2=N[C@](C)(C3=N[C@](C)(c4nccs4)CS3)CS2)CS1 38731096 AAZNLXXTBVTBKQ-BZSNNMDCSA-N 424.686 4.968 0 1 HJAF biogenic Cc1oc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)nc1-c1ccccc1 82163032 HOOXIAFEEHUVJU-UHFFFAOYSA-N 412.493 4.735 0 1 HJAF c1cncc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)c1 82189779 BIZIZUAJWXIMKS-UHFFFAOYSA-N 419.577 4.509 0 1 HJAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(C(C)C)cc2)cs1 82195956 JTVJTJSSSWHCGH-IBGZPJMESA-N 403.592 4.913 0 1 HJAF CCc1nn2c(O)cc(C3CCOCC3)nc2c1Cc1cccc(Cl)c1Cl 103076191 UDEMXGUBEANNCX-UHFFFAOYSA-N 406.313 4.789 0 1 HJAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104691884 AVQIPZASSYPEBA-JOCHJYFZSA-N 417.465 4.566 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 169319211 NVBZLUSKXDCJBQ-RQQMGDSSSA-N 402.623 4.580 0 1 HJAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1C(F)(F)F 169723932 UXPBCCWDGQWFOL-RDJZCZTQSA-N 411.420 4.668 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccncc3Br)nc3ccc(O)c1c23 586985380 GKTDVMVZVASOLZ-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF CC(C)[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCc1ccccc1 587197596 JLNDMEBHQMGYJF-KRWDZBQOSA-N 406.408 4.942 0 1 HJAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 587245589 ZZHXMBNFBLNWRC-UHFFFAOYSA-N 408.255 4.950 0 1 HJAF COC(=O)c1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355311 XGXIIDKJZGDVEW-RDGATRHJSA-N 418.420 4.519 0 1 HJAF Cc1cc(C)nc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587369795 OXLAQRCSHDZRKS-NFBKMPQASA-N 424.497 4.848 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cccc(CC(=O)O)c3)c1)O2 587408982 SETNXLJFQFFTHU-VWLOTQADSA-N 401.462 4.752 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(C(F)(F)F)cc1)CC2=O 587464917 ZBHOPMHXPLEVHC-NRFANRHFSA-N 422.399 4.787 0 1 HJAF Cc1nc(-c2ccncc2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612184 KVQKNRSXIAHJPI-GHTZIAJQSA-N 416.458 4.922 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(F)c(F)cc1Cl 587867990 GIHVKBSOMZVSJX-UHFFFAOYSA-N 417.721 4.593 0 1 HJAF O[C@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@H]([C@@H]35)[C@H]14 621430881 HMVINQSUNXRPKR-RDULZMEJSA-N 410.646 4.935 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1cc(F)c(Br)cc1C)N(C)[C@@H](C)C2 962575008 VFURMIBQKDTTFX-BUXKBTBVSA-N 408.311 4.880 0 1 HJAF CCCc1ccc([C@@]2(c3cccc(OC(C)=O)c3)NCCc3c(C)ccnc32)cc1 963070964 IINBOVQGTVIJOA-SANMLTNESA-N 400.522 4.705 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(N(C)C2CCCCC2)s1 963635127 LMMUEUKGIWNZOG-SPLOXXLWSA-N 401.576 4.553 0 1 HJAF CCCC[C@@H]1[C@@H](C(=O)N(C)OC)[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857557983 NRBLDIIVXBCDGF-AQNXPRMDSA-N 404.551 4.606 0 1 HJAF Cc1ccc(F)c(-n2ncc3c2CCC[C@H]3NC(=O)c2cc(C(F)(F)F)ccn2)c1 1911575150 ADJDTKWSVRYLJU-MRXNPFEDSA-N 418.394 4.541 0 1 HJAF 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403.570 4.531 0 1 HJAF O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 40836550 LDKXAYQJQSAEFI-URXFXBBRSA-N 421.924 4.886 0 1 HJAF COc1ccc2[nH]cc(C3(c4c[nH]c5ccc(OC)cc45)C(=O)Nc4ccccc43)c2c1 43011039 BTNZHCUGWLTPDF-UHFFFAOYSA-N 423.472 4.953 0 1 HJAF N[C@H](CNc1ncc(-c2ccc3cn[nH]c3c2)s1)Cc1ccc(C(F)(F)F)cc1 49021646 SXMJEDMPDDTFKV-INIZCTEOSA-N 417.460 4.687 0 1 HJAF CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 66136560 ACNJSANQXJKRCD-IERDGZPVSA-N 414.299 4.801 0 1 HJAF COc1ccc2c(c1Br)CCC=C2c1cc(OC)c(OC)c(OC)c1 84616017 VVSYDEVGATWHJM-UHFFFAOYSA-N 405.288 4.861 0 1 HJAF C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C(=O)OC 85530773 HTTYESLBWSQNTE-UHFFFAOYSA-N 412.403 4.768 0 1 HJAF biogenic,in-vitro O=C(O)c1ccc(Nc2nc3c(-c4cnn(C5CCCCC5)c4)cccn3n2)cc1 96282527 ILLVVCCWYJBGMD-UHFFFAOYSA-N 402.458 4.540 0 1 HJAF CCCc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]2c2ccccc2OC)cc1 169694917 ODTPWOCZVCYFMI-NHCUHLMSSA-N 407.510 4.536 0 1 HJAF 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412.457 4.826 0 3 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2occc2[C@@H]1CN1CC=CCC1 3775444 FHBKJHTVSFYHEK-IBGZPJMESA-N 405.325 4.517 0 1 HJAF COc1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1OCCN1CCC(C)CC1 28819747 BHWFOLYNSFBBTA-UHFFFAOYSA-N 414.933 4.620 0 1 HJAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(I)ccc23)O1 29151347 XZVXPALQXOBYFD-MRXNPFEDSA-N 400.215 4.885 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)NC3CCCCC3)cc21 29477885 HMQGVHOUNRMHCG-UHFFFAOYSA-N 421.497 4.851 0 1 HJAF Cc1nn(-c2ccc(F)cc2)c(OC(=O)c2ccccc2)c1C(=O)c1ccccc1 35015189 DUPLIMBOOZXMQI-UHFFFAOYSA-N 400.409 4.770 0 1 HJAF Clc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1 38629410 WVUDZDGNXHQQNC-UHFFFAOYSA-N 414.694 4.819 0 1 HJAF CN(C(=O)c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 40411432 FELRKEHYUHYKAR-UHFFFAOYSA-N 419.500 4.847 0 1 HJAF C[C@@H](c1ccc(F)cn1)N1CCC2(CC1)O[C@@H](c1cc(Cl)ccn1)c1cccnc12 72317813 MUMDCFHGPZGRLJ-YCRPNKLZSA-N 424.907 4.836 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)cc1 82179761 GEXWVUWLRGNHFJ-NRFANRHFSA-N 413.525 4.717 0 1 HJAF OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 95874542 CPGJSWPJIQFYIV-VJBWXMMDSA-N 418.503 4.531 0 1 HJAF O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1 169356305 AUQNPCFBIYVHNH-XPWALMASSA-N 414.981 4.738 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 169368485 HNCAMNUTTBOMFY-PAPZRDAFSA-N 402.623 4.725 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)cc1 586903441 OZBVSQWXNSWGJY-DENIHFKCSA-N 400.434 4.711 0 1 HJAF O=[S@@](CCCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1 586961655 XGJJLLBIYPWBKK-QHCPKHFHSA-N 415.715 4.858 0 1 HJAF O=C(N[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O)OCc1ccccc1 586987040 JLLDSPUBNMXMCI-IBGZPJMESA-N 422.440 4.675 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cccc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl 587062168 VBTDSJITBCCWPZ-VBKZILBWSA-N 418.324 4.963 0 1 HJAF COc1cnc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1Cl 587064953 QTTOVSKIUFAERM-UHFFFAOYSA-N 417.488 4.812 0 1 HJAF CC(C)(C)Oc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(N)cc1F 587136952 ZOWFIRFTQAMSRW-UHFFFAOYSA-N 413.678 4.939 0 1 HJAF COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(I)c1 587180081 LAORCUSAJZNWBC-UHFFFAOYSA-N 420.584 4.775 0 1 HJAF COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348078 GGROJMMLQJKLKL-DHLKQENFSA-N 418.420 4.519 0 1 HJAF CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418850 BIFHMRWPDOBKED-QVKFZJNVSA-N 421.276 4.598 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)c(Br)c31)CC2=O 587461776 YZEQIWZLAWCHIA-OAQYLSRUSA-N 417.299 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(C(F)(F)F)cc1)CC2=O 587464918 ZBHOPMHXPLEVHC-OAQYLSRUSA-N 422.399 4.787 0 1 HJAF C/C(=C\[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587569096 FBRCJBQWPKUKKZ-GZJYBJBQSA-N 401.462 4.715 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574185 VRYFZIYYOATXQT-DHLKQENFSA-N 419.477 4.555 0 1 HJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1 587579572 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587758223 CJZJQLVMHQGUJN-NVGVWMPQSA-N 413.331 4.563 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc3c(c2)OCCO3)N1 587836642 WWEWNPNYAPTQDW-XIKOKIGWSA-N 406.295 4.568 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC=C2OCc2ccccc2)N1 587840284 XYWPOIAFMMJBOM-SPLOXXLWSA-N 416.290 4.920 0 1 HJAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(Cl)cc(Br)c1 587941543 SHBPZSLYWLYSTH-UHFFFAOYSA-N 400.700 4.822 0 1 HJAF CC(C)N1C(=O)[C@@H]([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)C(=O)c2ccccc21 962667732 VFYUHEQMTHWPMF-LBNVMWSVSA-N 424.544 4.969 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(Cl)cc1Br 963058506 PKUMLHCPSPFPMR-IBGZPJMESA-N 403.707 4.894 0 1 HJAF COCOc1ccc([C@]2(c3cccnc3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963098381 GPQCZGWYOUSCQY-RDGATRHJSA-N 404.485 4.516 0 1 HJAF OC[C@@H](c1ccccc1)N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 1772616100 STOGBMWLXSWHAE-SVBPBHIXSA-N 400.566 4.539 0 1 HJAF COCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1 1857577515 SLQFJJPGHZGRSX-UHFFFAOYSA-N 412.873 4.592 0 1 HJAF CC1CCC(CN2C(=S)N(CCCC[C@H]3CN=C(C4CCCC4)N3)C[C@H]2C)CC1 1857648883 WLUOUCIGBNMDJS-VYIQXXGSSA-N 418.695 4.835 0 1 HJAF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@@H](c1ccc(O)cc1)O2 2356409023 WCWOWFQELCQQCI-JWQCQUIFSA-N 424.493 4.716 0 1 HJAF CN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(F)cccc2s1 4359771 RWPPDZMICOFWOY-UHFFFAOYSA-N 411.546 4.913 0 3 HJAF COc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)cc1 61923293 ZAQKIXFPTQIRCN-DHIUTWEWSA-N 406.526 4.599 0 3 HJAF c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2-c2nnn[nH]2)c1 3790847 GWUFSBUQAUFGFW-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF N[C@@H]1Cc2c3n(c4cccc(O)c24)C(=O)C[C@@]2(CCc4ccccc4)CCC[C@@H]1[C@@H]32 27900166 LVSBUGQSLOXWIN-VCVQTOKVSA-N 400.522 4.777 0 1 HJAF COc1cc(OC)cc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)c1 35968623 LJCDXEPNUPSELM-UHFFFAOYSA-N 410.422 4.794 0 1 HJAF CCN(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 36189257 JSVCHYCWIRWLJK-HUJHSEDCSA-N 420.597 4.953 0 1 HJAF 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O=C(OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)c1ccccc1 587357574 VKELBQDFJGGULC-WQNVSQMQSA-N 418.420 4.648 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)O2 587387796 SKYZNHOLFWBTIP-AFMDSPMNSA-N 400.522 4.958 0 1 HJAF CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530782 HJFIAZOLNSBGBO-IBGZPJMESA-N 404.915 4.719 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc2c1OCOC2 587551740 JDLIMBWHNJETPE-GCJKJVERSA-N 410.809 4.615 0 1 HJAF CCOC(=O)c1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599564 XWWXSFSPEAWOJL-PXDATVDWSA-N 418.445 4.532 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1 587720144 RWOWVCKKHCOVDG-INWYIAFRSA-N 408.649 4.536 0 1 HJAF C[C@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 587760531 KVSOHDPLULUUFO-LRAJWGHMSA-N 403.339 4.612 0 1 HJAF COc1ccc2nccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587777007 FJYVTDNYLRZVLS-YBTHPKLGSA-N 401.279 4.769 0 1 HJAF CCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794822 HCAXTPYFMAABIA-BBEGDGIKSA-N 400.332 4.707 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587828008 NGYYQVLKDWGSJJ-QKKBWIMNSA-N 420.322 4.848 0 1 HJAF COc1ccc2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834647 LXFMUHCYHWEQQL-MPBGBICISA-N 406.295 4.547 0 1 HJAF Cc1ccc(F)c([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1Cl 962699970 DYAGOAINYAFJML-XJKSGUPXSA-N 405.750 4.634 0 1 HJAF COc1ccc2c(c1)[C@](c1cccc(OC)n1)(c1ccc(C)cc1C)N[C@@H]1CC[C@@H]21 962994744 LUYMSSAZKQTTFJ-CLLDFNAGSA-N 400.522 4.857 0 1 HJAF COc1ccccc1CC[C@]1(c2ccccc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963020287 FFXDNKVVPMFZFN-CCLHPLFOSA-N 412.533 4.625 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(c1ccc(Cl)nc1)c1nccs1 963280099 MGAAZZMWIHPEHS-GOSISDBHSA-N 420.763 4.734 0 1 HJAF O=c1[nH]c(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1 607480 JJQKCJJTQLIHNU-UHFFFAOYSA-N 415.562 4.621 0 1 HJAF CC[C@H](C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)[C@H](C)c1ccccc1 1643420 QUNKMUPMBINORL-RHSMWYFYSA-N 423.431 4.817 0 1 HJAF C[C@@H]1CCC[C@@H](NC(=O)CCCCCn2c(=S)[nH]c3ccsc3c2=O)[C@@H]1C 4659203 WZFRTLSNQDADBJ-RBSFLKMASA-N 407.605 4.622 0 1 HJAF CN(C)Cc1ccccc1Sc1ccc(/C=C/I)cc1N 13472755 JAURUKPBSNINJP-MDZDMXLPSA-N 410.324 4.887 0 1 HJAF O=c1onc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1-c1cc(Cl)ccc1O 13558801 QIURFVORUVHXJH-UHFFFAOYSA-N 424.684 4.889 0 1 HJAF CCCC(=O)OC1=C(c2ccc(OC)cc2)[S@](=O)c2ccccc2-n2cccc21 13739873 ADYCPDYHHDSCBS-LJAQVGFWSA-N 407.491 4.776 0 1 HJAF CCC[C@@H](c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1)N(C)C 40972956 CHVQVAXQDCWTRP-IBGZPJMESA-N 404.493 4.582 0 1 HJAF O=C(Nc1cccc(-c2ccc(NCCCN3CCCC3)nc2)c1)c1ccccc1 45322622 OJKJDUJUAFWFCO-UHFFFAOYSA-N 400.526 4.899 0 1 HJAF CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)c1ncc(-c2ccccc2)[nH]1 45495459 UKHBEXKFQIFIBM-QFIPXVFZSA-N 424.589 4.650 0 1 HJAF O[C@@H]1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 64559275 MUPLYZRZMPPYMK-AREMUKBSSA-N 403.522 4.626 0 1 HJAF Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1F 66129164 XRHYCKXUOOZLNR-UHFFFAOYSA-N 402.401 4.691 0 1 HJAF Cc1ccccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccsc1 82155501 DNOFUKILXJXTTM-UHFFFAOYSA-N 415.562 4.637 0 1 HJAF COc1cccc(Cc2nnc(-c3sc4ccccc4c3OC3CCNCC3)o2)c1 98208436 RWKJYYGODHUKPP-UHFFFAOYSA-N 421.522 4.682 0 1 HJAF in-vitro COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccccc2)n1 166581397 QOFWEFQLAAVPSJ-MAUKXSAKSA-N 408.523 4.937 0 1 HJAF COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1cccc(-c2cccnc2)c1 169728356 CPLQNDJXFBQSLA-PKTZIBPZSA-N 402.494 4.739 0 1 HJAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(OC)cccc23)CC1(C)C 205028066 UHNMZKXKDDISSX-UHFFFAOYSA-N 411.590 4.787 0 1 HJAF COC(=O)c1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2n1 586981765 DRHRZFRYYWBVGA-AWEZNQCLSA-N 416.319 4.879 0 1 HJAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 587051949 WJJNZKCIBMPQPV-GJZGRUSLSA-N 402.325 4.973 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(F)cc1)O2 587384923 PSSWIWIKCCEMHB-VWLOTQADSA-N 423.484 4.542 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C(=O)O)cc4)c1)[C@@H](C2)C3=O 587448514 DGYABZXWVJQKEH-CPJSRVTESA-N 400.430 4.723 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ncc(Br)cc3o1)CC2=O 587461118 XCIVPLWFEQWROZ-GOSISDBHSA-N 402.244 4.955 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OCC)c(C)c1)CC2=O 587481688 RLCGNINRRXHANM-DEOSSOPVSA-N 412.482 4.777 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)c(O)c3)o1)CC2=O 587487382 ZMPDLOLTECZBLU-NRFANRHFSA-N 408.406 4.715 0 1 HJAF C[C@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547071 LDUYTMSWJJRMTN-GHTZIAJQSA-N 415.367 4.870 0 1 HJAF Oc1nc(O)c2cc([C@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc2n1 587560278 DUGGPFYWFUMESM-JOCHJYFZSA-N 421.456 4.989 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC[C@@H]1CCCO1 587605794 BAMDKTLWZVPLMF-PMHROOCVSA-N 418.445 4.653 0 1 HJAF C[C@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611159 FSHCQMQCJBAOID-ZJSXRUAMSA-N 421.518 4.927 0 1 HJAF C/C(=C/[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587618674 PRCMVVXDJCFFFQ-FCXKASHQSA-N 407.491 4.776 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697776 UHTFXEFPNAFCIF-XYZCENFISA-N 419.121 4.665 0 1 HJAF COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587712200 ZZETYGNMTLELSX-BTDLBPIBSA-N 418.228 4.937 0 1 HJAF Cc1cccnc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754365 LWGJQDJBEFTSQU-YJYMSZOUSA-N 400.295 4.706 0 1 HJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587782479 LVRLFFWSDLGBTL-UHFFFAOYSA-N 420.778 4.928 0 1 HJAF CCOCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587794248 GHHKDLLVFVGAOC-ODXCJYRJSA-N 408.311 4.757 0 1 HJAF COCc1cc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)ccc1OC 962697953 IPKNWNNJVLDGSB-JPYJTQIMSA-N 401.547 4.608 0 1 HJAF C=Cc1c(OC)cc(/C=C/c2ccc(C(=O)NCCc3ccncc3)cc2)cc1OC 1857608504 FEFLECRETSSNDN-AATRIKPKSA-N 414.505 4.885 0 1 HJAF Cc1nc2ccccc2c(-c2ccc3c(c2)OCCO3)c1[C@@H](OC(C)(C)C)C(=O)O 1857771281 YRWZNNYUCITTEW-JOCHJYFZSA-N 407.466 4.922 0 1 HJAF CC1=C[C@H](CNS(=O)(=O)C(C)C)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356286703 MIVIYWITWWGLSN-VAMGGRTRSA-N 417.619 4.596 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC[C@]4(O)C[C@H](O)CC[C@]54C)[C@@H]3CN2C1 2356472619 CWNLEIMHIBMIJB-YXJFAZALSA-N 415.662 4.707 0 1 HJAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2356644081 RPBAJJRDQPLSHK-JCWFQCHZSA-N 406.607 4.566 0 1 HJAF CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356734849 AELZDZIWKOZSSW-CXWIFCRUSA-N 418.574 4.709 0 1 HJAF CN1c2ccccc2[C@@H]2[C@@H](NC(=O)C(F)(F)F)CCCN2c2cc(Cl)ccc21 3818371 AIDBIEZDKMFXOW-KBXCAEBGSA-N 409.839 4.810 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4043237 AUCQBQVOULQCDH-FPOVZHCZSA-N 417.912 4.553 0 1 HJAF COc1ccc(C2=NN(C3C4CC5CC(C4)CC3C5)C(=O)[C@H]3CC=CC[C@H]23)cc1OC 13474150 CSNUCLKQPKBQNG-WKDDANMJSA-N 420.553 4.657 0 1 HJAF C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 13686451 BGFUXHUMITWARX-MWTRTKDXSA-N 424.928 4.829 0 1 HJAF CCOC(=O)CC(=O)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1 13820397 JTYQIVFGUOUWCM-UHFFFAOYSA-N 420.461 4.686 0 1 HJAF CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@@H](CC)OC(C)=O)cc(=O)oc12 14586082 SWZGXMPUJHYEME-QGZVFWFLSA-N 416.470 4.710 0 1 HJAF biogenic Cn1ccc2cc(-c3cc4c(cc3F)c(=O)c3c(O)nsc3n4C3CC3)ccc21 28569645 TZFRJVUHUNQRGD-UHFFFAOYSA-N 405.454 4.950 0 1 HJAF O=C(Nc1c(F)cccc1F)[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708154 ZAXWEHCCAIIFBR-HSZRJFAPSA-N 422.475 4.628 0 1 HJAF O=C(c1ccccc1)[C@@H](c1ccccc1)c1ccc(C(F)(F)P(=O)(O)O)cc1 28961243 HXHJFTSDJKJYRE-IBGZPJMESA-N 402.333 4.928 0 1 HJAF Oc1c(Cl)cc2c(c1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29123760 RODCVYSJUXJRMC-UHFFFAOYSA-N 415.773 4.828 0 1 HJAF CNc1nc(NCC(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc12 82131540 BMCINITUOQTDMR-UHFFFAOYSA-N 414.509 4.933 0 1 HJAF COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccn2)c(C(F)(F)F)c1 84620015 FDYYHAPJDAYQDG-UHFFFAOYSA-N 415.371 4.738 0 1 HJAF CCOC(=O)/C(=C\N(C)C)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586994915 BMEJCEBKTOZVLC-UYRXBGFRSA-N 400.478 4.529 0 1 HJAF Fc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1Br 586996220 SZGNPMAVGCRSTM-UHFFFAOYSA-N 413.088 4.882 0 1 HJAF Fc1c(Cl)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1F 587002943 QOHOLDZEZBPYQH-UHFFFAOYSA-N 411.637 4.849 0 1 HJAF COc1cccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587032324 STICKIILOBIWCB-GYBQTFJISA-N 400.529 4.698 0 1 HJAF COc1cccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587032329 STICKIILOBIWCB-KSSSLANASA-N 400.529 4.698 0 1 HJAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 587070253 GVUFBCVPJXKAEY-UHFFFAOYSA-N 413.886 4.693 0 1 HJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Br)c(O)c2[nH]1 587076073 HWFJRWAHCYHSAQ-UHFFFAOYSA-N 403.667 4.846 0 1 HJAF C[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129445 KSDOAXKITRNFBX-ZETCQYMHSA-N 417.794 4.599 0 1 HJAF N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587155684 KAXJLQFMCCFAGL-MEDUHNTESA-N 414.200 4.825 0 1 HJAF COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)nn1-c1ccccc1F 587157114 WENLVDYONGQWMZ-UHFFFAOYSA-N 421.657 4.979 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(Cc4c(F)cncc4Cl)[nH]c3c2)cc1 587176083 MDYWKWFXYSITHS-UHFFFAOYSA-N 411.820 4.920 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2c(ccc3ncccc32)[nH]1 587181476 SCSMSSPXLRWYGI-JTQLQIEISA-N 417.254 4.550 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cccnc1)[C@@H](C2)C3=O 587421040 ZTLKKBITSKAFFN-AVRDEDQJSA-N 422.278 4.544 0 1 HJAF COc1ccc(CC[C@@]2(C3(O)CCCCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587448218 AXEJXHCJCFKMKV-QFQXNSOFSA-N 422.521 4.518 0 1 HJAF COc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450673 FQNKOQMLHYEPSC-FQRUVTKNSA-N 412.441 4.780 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(OCC)OCC)CC2=O 587484492 SBAWDJOQKJLQMZ-JOCHJYFZSA-N 414.498 4.829 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1c(Br)cccc1Br 587651120 LAKVWFXYQUIUJW-UHFFFAOYSA-N 414.484 4.564 0 1 HJAF CCCCN(CCCC)c1ccc(-c2nn(C[C@H](C)O)c(=O)c3ccccc23)c(O)c1 587661778 UKYKMAWPWRJPHL-SFHVURJKSA-N 423.557 4.557 0 1 HJAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676812 FWNLPTJPWKFVMI-PWJLMRLQSA-N 414.116 4.678 0 1 HJAF Cc1nn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587693117 CWUCOOZORYUIIL-XLFHBGCDSA-N 400.723 4.505 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697702 SXAVNNYLKUVJDI-XLFHBGCDSA-N 419.121 4.665 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCc3ccccc3C2=O)N1 587822671 LWCLEARJRBPTDJ-YDZGXFTCSA-N 402.307 4.783 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)COC(C)(C)O3)N1 587836299 ZSMUAFPRKHWBEP-WLRWDXFRSA-N 406.295 4.857 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1Cc2ccccc2O1 587858079 CNXFOBDEUXYASK-GOSISDBHSA-N 403.265 4.900 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccc(C)cc1C 587862222 IDMIWDCRYNIAMZ-UHFFFAOYSA-N 403.404 4.947 0 1 HJAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3cccnc3OCC3CC3)C2)cc1 962643874 WWGSDOFKWPPWDN-JYFHCDHNSA-N 411.549 4.707 0 1 HJAF C[C@]1([C@H]2C[C@@H](N)c3ccccc32)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961127 QTUHZYRXKYWQRT-TUNNFDKTSA-N 416.487 4.759 0 1 HJAF CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 1857545282 ICZXNKRGDQUBCN-IZZNHLLZSA-N 416.565 4.737 0 1 HJAF Clc1ccc(Cn2ccc3c(N4CCC(N5CCCCC5)CC4)ncnc32)cc1 1857596462 JYOUOVVRHOQQJC-UHFFFAOYSA-N 409.965 4.588 0 1 HJAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@H]2c1ccc(-c2ccccc2)cc1 4177718 CLPAGHIGGHLMED-UCMODRJZSA-N 402.538 4.625 0 1 HJAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 4207559 NVKANAZLWMNUDF-JTHBVZDNSA-N 422.912 4.738 0 1 HJAF CCC(CC)CNC(=O)c1ccc2c(C)cn(Cc3ccc(C(=O)O)cc3OC)c2c1 27329642 VAFLVENDMNCIMN-UHFFFAOYSA-N 422.525 4.871 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@H]2SC(=O)NC2=O)cc1 29322819 HKNPDCJATRTXND-HXUWFJFHSA-N 422.506 4.556 0 1 HJAF COC(=O)c1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1 29411694 RPMBRVSXPAUIRF-UHFFFAOYSA-N 414.701 4.827 0 1 HJAF CN(C(=O)[C@@]1(C)CCc2c(c3ccccc3n2CC(=O)O)C1)c1cccc(Cl)c1 35983929 CJNTWYOIOVTHEW-QHCPKHFHSA-N 410.901 4.537 0 1 HJAF COc1cc2nc(NCCCOC(C)C)nc(NCc3cccs3)c2cc1OC 82119805 YQFDQMQGFFYEOS-UHFFFAOYSA-N 416.547 4.548 0 1 HJAF COc1cc2nc(N3CCC(C)CC3)nc(NCCc3ccc(F)cc3)c2cc1OC 82130120 WVWFKSYUMURKPZ-UHFFFAOYSA-N 424.520 4.677 0 1 HJAF O=C(NCCCNc1nc(Nc2ccccc2F)ncc1C1CC1)c1cccs1 95561310 PAHAEQCXQIADLT-UHFFFAOYSA-N 411.506 4.530 0 1 HJAF COc1cc2ncnc(Nc3ccc(Br)cc3Cl)c2c(OC)c1OC 96916419 WANUEHQHGBYBLT-UHFFFAOYSA-N 424.682 4.815 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccs1 103190348 WNAFXLSYDCONJW-HNNXBMFYSA-N 424.333 4.874 0 1 HJAF COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1 104074183 NOTLLZXIVXNSQR-NRFANRHFSA-N 409.482 4.767 0 1 HJAF CC(C)C[C@H]1NC[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)OC1=O 141827224 ITRKRMVRBCMBFT-KCSDSNPHSA-N 415.618 4.898 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1 167070753 CVXVRZJHVRQGII-UTKZUKDTSA-N 402.494 4.876 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819551 GLSZMIVCBQXSEA-QKONGSNMSA-N 402.623 4.725 0 1 HJAF CCN(CC)CCN=c1[nH]c2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 474609812 VOESCNWZBXCJIO-UHFFFAOYSA-N 409.921 4.949 0 1 HJAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3c2)cc1 586918301 OISGFNLKXZQDFX-UHFFFAOYSA-N 412.401 4.915 0 1 HJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586962236 CLNRBHPAJPJOJL-VIFPVBQESA-N 415.263 4.651 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 587025623 HUGKLHPJAVATLW-BMFZPTHFSA-N 400.935 4.748 0 1 HJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C(=O)OC)cc3[nH]2)n1 587081374 ZUTGSGGIMQMLOY-QMMMGPOBSA-N 411.687 4.600 0 1 HJAF Cc1c(F)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F 587132686 JFNKUWHQCRVFKN-UHFFFAOYSA-N 403.024 4.737 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c(F)c2)c1 587147369 OHGCUUHFAQVLSC-UHFFFAOYSA-N 415.783 4.930 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(OC(C)C)ccc2[nH]1 587181456 RIMWIKHKDGCCDM-LLVKDONJSA-N 424.286 4.789 0 1 HJAF COc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Cl 587198464 LNFWCXDJPNTLRX-UHFFFAOYSA-N 406.873 4.751 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(F)cc(F)c32)[C@@H]1c1ccc(F)cc1 587338740 VGIROZCLENDXAS-NFBKMPQASA-N 412.363 4.846 0 1 HJAF CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CO1 587364892 AITSZHBKTDLWKM-HXUWFJFHSA-N 403.434 4.661 0 1 HJAF COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401317 VZSHWTSGJMBKOD-ZQAYIGKJSA-N 417.461 4.545 0 1 HJAF CCCCc1ccc([C@]2(CCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447354 QQJXFTOQZLZZIN-NLFFAJNJSA-N 408.494 4.936 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)CC2=O 587468271 DBRXUVDHWZQUMN-QEEYODRMSA-N 403.519 4.762 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c(C)cc(=O)oc3c1)CC2=O 587494503 YOYBCHKFFLZNJJ-DEOSSOPVSA-N 408.450 4.562 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1 587556054 UODHNQSEIMTHQW-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF CC(=O)SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605038 ARYSRDVCBCDTPN-NFBKMPQASA-N 406.459 4.529 0 1 HJAF C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587638426 LCQWIPWCYCPAPV-JTQLQIEISA-N 402.244 4.874 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712163 JOPSPZHGWWZGIQ-BCTVWOGZSA-N 403.217 4.934 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(O)c2)N1 587714054 FTZUCZZJHRVSCS-PWJLMRLQSA-N 402.210 4.519 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2-n2ccnc2)N1 587722558 SMKDLVHJQHKEGF-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587761549 PVNIZUQNEQVOHE-HYSWKAIVSA-N 413.331 4.563 0 1 HJAF Cc1cccc(-n2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587762550 FWTLGDOSNMSDIO-QKKBWIMNSA-N 414.322 4.880 0 1 HJAF CC(=O)Oc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587808590 HBRJMLXUWBBRDH-YEJXKQKISA-N 420.322 4.896 0 1 HJAF CC(=O)Oc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812692 RJDYWTHUNYRMSJ-ODXCJYRJSA-N 406.295 4.754 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1c(C)nc2ccccc21 587862600 DXYZKOSYPUKHJW-UHFFFAOYSA-N 414.387 4.576 0 1 HJAF Cc1c(F)ccc2c1[C@@](c1ccncc1)(c1ccccc1NC(=O)C(C)(C)C)NCC2 962369795 BERUHWSEYYFSFK-AREMUKBSSA-N 417.528 4.951 0 1 HJAF CCOc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180130 GFMBDGVULYSLFI-MJGOQNOKSA-N 413.823 4.620 0 1 HJAF COc1ccc(-c2c3c(c(-c4ccc(OC)cc4)c(O)c2OC)SCC(=O)N3)cc1 1857571218 VYRLOMIVJRYCPG-UHFFFAOYSA-N 423.490 4.796 0 1 HJAF COc1cccc(-n2cc(-c3ccccc3Sc3ccc(N)cc3)nn2)c1OC 1857598763 FDKFKUYVMWNSLE-UHFFFAOYSA-N 404.495 4.685 0 1 HJAF Cc1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)c(C)n1 1857614969 BTKPXGJHSZLOCE-UHFFFAOYSA-N 407.470 4.792 0 1 HJAF COc1ccc2nc(NC(=O)c3ccc(OC(F)F)c(OCC4CC4)c3)sc2c1 1857641351 UQUJXCOKAIXKJG-UHFFFAOYSA-N 420.437 4.947 0 1 HJAF Cc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)cc1 1857757765 MCSGUJCHCJUPAK-UHFFFAOYSA-N 421.504 4.618 0 1 HJAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)N2C[C@H](C)CC[C@H]12 2356436085 AANKDJLVHZQCFG-ULSZDHJESA-N 413.646 4.626 0 1 HJAF C[C@@H]1CC[C@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@@]43C)O2)OC1 2356724877 BUJRXUZHQCDNJY-LINAUYMDSA-N 418.618 4.519 0 1 HJAF C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1Cc1cc2ccccc2o1 61897306 FPDKVCROTJNMBB-NRFANRHFSA-N 402.416 4.732 0 3 HJAF COc1cccc(-c2cc(NC(C)=O)c3ncc(-c4ccc(OC)c(OC)c4)n3c2)c1 61906655 HLKKRNRPSVFBIE-UHFFFAOYSA-N 417.465 4.653 0 3 HJAF COC1(OC)CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1 1655218 HAZUKGPGYAIQRQ-UHFFFAOYSA-N 420.332 4.675 0 1 HJAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1 2724576 IDLYTKLRHQFTMZ-QFIPXVFZSA-N 406.869 4.533 0 1 HJAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)NC(C)C 3811876 NSLNQYPEZFICFT-YNRDDPJXSA-N 421.578 4.665 0 1 HJAF NCCc1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 13680079 YIMSHHMJWBMJCZ-UHFFFAOYSA-N 412.898 4.909 0 1 HJAF CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)c(OC)c2)c1 13795839 JEZDZNKGPCELDF-UHFFFAOYSA-N 415.574 4.998 0 1 HJAF CC(C)C1=N[C@](C)(C2=N[C@](C)(C3=N[C@@](C)(c4nccs4)CS3)CS2)CS1 14594364 AAZNLXXTBVTBKQ-SQNIBIBYSA-N 424.686 4.968 0 1 HJAF biogenic Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(-c3ccccc3)nc21 28643327 OGZNNKRAQHQQBU-UHFFFAOYSA-N 402.477 4.820 0 1 HJAF Cc1c(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2n1Cc1ccccc1 28704773 BCVYHMWMEKYBSQ-UHFFFAOYSA-N 410.945 4.833 0 1 HJAF C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 40423724 IGHOXILLFNEXFN-MAUKXSAKSA-N 407.341 4.542 0 1 HJAF CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72135652 AMMUGGRFIMMQNM-JPHKXNKNSA-N 416.650 4.971 0 1 HJAF CC(=O)Nc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 72175173 FSJQYEZRANJSKO-QGZVFWFLSA-N 403.935 4.887 0 1 HJAF CC(C)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1CC[C@@H]1CCCN1C 82181347 ASERRSQIHVUXCD-SFHVURJKSA-N 412.969 4.700 0 1 HJAF C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H]1CCCO1)c1ccccc1 82188229 MPKGJOANCYOGSD-APWZRJJASA-N 419.554 4.949 0 1 HJAF CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82194862 RTFUNUJIKCJQKQ-MGPUTAFESA-N 417.575 4.523 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@@H](C)c3ccccc3)c12 84633780 JNYUGWPUYNNZOZ-AWEZNQCLSA-N 414.465 4.768 0 1 HJAF CCCCNC(=O)c1cc(NC(=O)CN2CCCCC2)ccc1Oc1ccc(C)cc1 84725057 NCKBYOOWRBVLDR-UHFFFAOYSA-N 423.557 4.742 0 1 HJAF NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 95597335 WCTJTYALDQBUBV-UHFFFAOYSA-N 405.256 4.796 0 1 HJAF CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)O)C3)c2)c1 169710122 PDGAZDOEDKXTCY-UHFFFAOYSA-N 415.493 4.718 0 1 HJAF CCOC(=O)C1=C(c2ccoc2)N=C(C)[C@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 169715049 IXFMPLDXVRMBSB-UBGMWTFPSA-N 407.466 4.537 0 1 HJAF COc1ccc(CCC(=O)c2c(O)cc(O)c(C/C=C/c3ccc(O)cc3)c2O)cc1 206798689 LQXPQKJJPFBMGO-NSCUHMNNSA-N 420.461 4.589 0 1 HJAF CC(C)n1c(-c2nc3nc(Cl)ncc3[nH]2)cc(Br)c1Br 587005080 MDLIMKDLVKDGIE-UHFFFAOYSA-N 419.508 4.581 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2 587032296 SKWJOFGPIJTDSH-VNCYPQDWSA-N 410.528 4.566 0 1 HJAF CN1CCN(c2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)CC1 587052268 ZDBLCPHJKZZZJJ-LSDHHAIUSA-N 401.341 4.893 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587057887 WINOTDYSKWLNTI-UHFFFAOYSA-N 402.237 4.808 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C(=O)c1ccccc1)CC3 587103783 APOPFMBFPOXWKE-UHFFFAOYSA-N 404.469 4.687 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2cccc(Cl)c2[nH]1)c1cc(F)ccc1F 587140170 HOHRYYLXUNZQJY-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)cc1 587164715 ZMGCNHJOLBFPPC-JOCHJYFZSA-N 419.456 4.932 0 1 HJAF COc1cc(OC)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1 587230725 XZTIKFYAZWKSLY-UHFFFAOYSA-N 424.501 4.544 0 1 HJAF COc1ccccc1N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350192 YZQCTIHKVVURRK-ZCYQVOJMSA-N 419.452 4.548 0 1 HJAF COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587375205 LNZLNWMAMMYMRY-KNQAVFIVSA-N 412.438 4.654 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O 587421152 KKUCFVJJSLPCAT-KKSFZXQISA-N 410.857 4.672 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1ccccc1Cl)CC2=O 587461011 IUAOPMRKOSBAJV-HSZRJFAPSA-N 416.901 4.898 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](NC(=O)OCc3ccccc3)C1)CC2=O 587468282 DHQATHFGEWOVGW-IQGLISFBSA-N 423.509 4.918 0 1 HJAF COCOc1ccccc1[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516089 UPFRTBPYTMFXQR-AREMUKBSSA-N 415.489 4.852 0 1 HJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccnn2C)c1 587583349 VLNUDABNFJGUOG-RCZVLFRGSA-N 412.445 4.804 0 1 HJAF COc1ccc([C@H](C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587596026 UEOYOFQKTJOTHY-KLGSUFROSA-N 406.434 4.543 0 1 HJAF Cc1ccc(C)c([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601582 DSGOOPDHRDKHOA-DHLKQENFSA-N 418.445 4.731 0 1 HJAF O=C(COc1cc(Cl)c(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651619 XCTRXGZCXJYZDG-UHFFFAOYSA-N 418.063 4.729 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)cccc2Br)N1 587676317 GHFMTZSCVLPQPE-ZKANADHPSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2N)N1 587677002 JPQWBCYDPLGMLK-ZKANADHPSA-N 414.116 4.557 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794819 GZLQVPIRTBDEBA-GIJMVEMTSA-N 412.343 4.707 0 1 HJAF Cc1cccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587826496 HOYZURGWGYOACQ-LHSJRXKWSA-N 420.322 4.929 0 1 HJAF Cc1cccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587826847 JNLYSKJTFGYLQN-LHSJRXKWSA-N 420.322 4.929 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(OC)c1 587864515 LFRNOIKRZPLBSK-UHFFFAOYSA-N 420.387 4.695 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccc(C)cc2)c1C 587873020 SXSPLYGJRBHHKO-UHFFFAOYSA-N 404.445 4.579 0 1 HJAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OC(C)(C)C)cc(C)c2O)n1 587944785 IWBBWXIDVOZZIY-UHFFFAOYSA-N 403.479 4.890 0 1 HJAF CCOC(=O)c1ccc(C[C@@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)cc1 962092216 MYGSVBKYHXCYJK-SANMLTNESA-N 403.497 4.943 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1c(C)nn(Cc2ccc(F)cc2)c1Cl 963269155 FXRDJYKMGKGDGW-HXUWFJFHSA-N 420.315 4.929 0 1 HJAF Cc1cc(C)c2nc(O)c(CN(CCO)C(=O)Nc3ccccc3C(C)C)cc2c1 1911579309 SCTFJVCQAABIDX-UHFFFAOYSA-N 407.514 4.707 0 1 HJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@](O)(C(C)C)[C@@H]23)cc1OC 2356444669 DDEVDXKOTCTQPW-JSRBNTPPSA-N 402.531 4.773 0 1 HJAF CCC(=O)[C@H](C)C=C(C)[C@@H]1[C@H](C)C(=O)[C@]2(C)[C@H]1[C@]2(C)c1oc(OC)c(C)c(=O)c1C 2356532832 ZAIGREUAQVJOJF-BLUGTSLDSA-N 414.542 4.556 0 1 HJAF O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCCCC1 201446805 QZDOKWUZNZQMPQ-UHFFFAOYSA-N 413.591 4.776 0 3 HJAF COC(=O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccc(O)cc23)c1-c1c[nH]c2ccccc12 13387716 CWTDTJMIXBLAHI-UHFFFAOYSA-N 415.405 4.502 0 1 HJAF biogenic CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CC(=O)O)cc1 13738043 KWUMRXVBZAVSDQ-UHFFFAOYSA-N 424.497 4.600 0 1 HJAF CCCCCC(=O)NCCS[C@H]1c2ccccc2COc2ccc(C(=O)O)cc21 27077958 DGFAINNZTOCXBM-QFIPXVFZSA-N 413.539 4.796 0 1 HJAF COc1ccc2[nH]c(C)c([C@@H](C)CNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040689 VNBJRDLLCXDMQX-LBPRGKRZSA-N 406.404 4.917 0 1 HJAF CC(=O)Nc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1 29473240 PYQYJNXELYKNAF-UHFFFAOYSA-N 413.717 4.999 0 1 HJAF CC(C)=C[C@H]1C/C(=C/CC/C(C)=C/CC/C(C)=C/C[C@@H](O)C2=CC(=O)OC2)C(=O)O1 38899733 VKOBTBGPXFPMMX-PLGGTPIMSA-N 414.542 4.882 0 1 HJAF COc1ccc2cc([C@H](C)C(=O)OCn3c(=O)oc4ccc(Cl)cc43)ccc2c1 43062230 BSJSVCGDOQOZMF-ZDUSSCGKSA-N 411.841 4.714 0 1 HJAF COc1ccc(-c2noc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)n2)cc1OC 49808268 GUHWYSQWAGJBHH-QHCPKHFHSA-N 410.470 4.625 0 1 HJAF COc1cc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cc(OC)c1OC 84670033 VGGQMJYULJKYFW-UHFFFAOYSA-N 402.830 4.983 0 1 HJAF COc1oc(=O)c2cc(NC(=O)OC34CC5CC(CC(C5)C3)C4)ccc2c1Cl 95586183 QJOUOJVWIRYHPZ-UHFFFAOYSA-N 403.862 4.972 0 1 HJAF O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCc2cccc3ccccc23)O1 103146821 MJJBGCXYQKBMCD-QFAKEOTJSA-N 420.549 4.729 0 1 HJAF Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccccc3)o2)cc1 103277220 JWTHBOYYBWDDJY-FOCLMDBBSA-N 406.445 4.915 0 1 HJAF COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@@H]5CCCC[C@@H]5O4)cc3)ccc2c1 169296269 ICLVRPDPZWNNKL-ZNZIZOMTSA-N 403.522 4.934 0 1 HJAF Nc1nc(-c2ccccc2C(F)(F)F)nc2sc(CN3CCC(F)CC3)cc12 169321256 OBQPCNCRGWNZJC-UHFFFAOYSA-N 410.440 4.893 0 1 HJAF CS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Sc1ccccc1 169341358 IHHQJMPWFGCYFB-UHFFFAOYSA-N 413.520 4.552 0 1 HJAF C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 169355383 ZNSKOGGQUHKREZ-ILVBULNZSA-N 402.560 4.525 0 1 HJAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 196464106 VHVYWBGGSJQQCN-LLJLJFOGSA-N 414.498 4.726 0 1 HJAF CC[C@H](Oc1nc(Oc2cccc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O 205208966 ZDHMLADHONAIES-IBGZPJMESA-N 414.408 4.520 0 1 HJAF CN(C)CCCn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 299861429 LJMWSMZSECVIEX-PKNBQFBNSA-N 402.325 4.825 0 1 HJAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 299874105 AVKLDALPEKNUHT-QHAWAJNXSA-N 400.544 4.612 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586882927 DAQJMNKSLTXIHT-GAVQZSGMSA-N 403.320 4.970 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CCCC(=O)CC5)[nH]c4c3)o2)cc1 586885657 NGAOBOYDCCEIPF-CQSZACIVSA-N 402.454 4.905 0 1 HJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(I)c3[nH]2)s1 587014403 LDPXRZNDUQKBID-VIFPVBQESA-N 413.284 4.697 0 1 HJAF C[C@@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336606 UIKWBONSKQDPMS-OFNKIYASSA-N 410.372 4.643 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCCC[C@@H]2Cn2cncn2)[C@H]1c1ccc(F)cc1 587345131 YLIQQCXDBYBIFL-UWSIMGETSA-N 421.472 4.501 0 1 HJAF CC1(C)CC(=O)C(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1 587351472 JWLDILPOXXHFGT-RDGATRHJSA-N 424.468 4.613 0 1 HJAF COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587549654 SHWHZJBAEBZTII-PGRDOPGGSA-N 412.825 4.766 0 1 HJAF CCC(C)(C)c1ccc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587563986 DJDCGUHXBMUJCK-UHFFFAOYSA-N 417.513 4.889 0 1 HJAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595987 MLHYSCWWPOGPTJ-WSCWJOSJSA-N 412.482 4.872 0 1 HJAF COc1ccccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587708184 ZTVXGUOGFDZCEM-BMLIUANNSA-N 418.228 4.937 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587724863 AAMSXSLPPBUGKR-KWKYVRJSSA-N 412.665 4.832 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC2CCOCC2)N1 587833621 GTRBWOCYSOSKSD-LRTDBIEQSA-N 420.322 4.770 0 1 HJAF Cc1cc2c(cc1F)[C@H](c1cc3c(s1)CCN(C(=O)OC(C)(C)C)C3)NCC2 962146453 ODROGGLRYHPADP-HXUWFJFHSA-N 402.535 4.724 0 1 HJAF COc1ccc2c(c1)[C@]1(N[C@@H]3CC[C@@H]23)C(C(=O)O)=CN(C(C)C)c2ccc(Cl)cc21 962995714 NQWULYRLKBPXSV-XVWGUNQUSA-N 424.928 4.638 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccc(F)c(C)c1)N(C(=O)c1ccccc1N)CC2 963154778 FIDUJOVZHYSLKL-QHCPKHFHSA-N 420.484 4.521 0 1 HJAF C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3C3CC3)ccn2)c1 1772647940 KINJDOYURKOJNZ-UHFFFAOYSA-N 421.526 4.948 0 1 HJAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356524810 OZZAYJQNMKMUSD-ULAFVHMLSA-N 416.558 4.931 0 1 HJAF Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(Br)cc12 593852 JEAHPSMFFHMEQG-UHFFFAOYSA-N 416.271 4.515 0 1 HJAF O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 772741 NSAQUJHZHXGVSX-CTNGQTDRSA-N 412.848 4.523 0 1 HJAF COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1862922 KKOBDOBLPQGGEI-SFHVURJKSA-N 414.310 4.798 0 1 HJAF CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 2469337 WKZMZTZKLRPCBR-PKTZIBPZSA-N 403.526 4.727 0 1 HJAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 2489459 AQNJZLTYTADRSD-FPOVZHCZSA-N 400.563 4.512 0 1 HJAF COc1ccc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)cc1 13673623 ZPSQSBRNPLBDHP-UHFFFAOYSA-N 405.483 4.902 0 1 HJAF CC(=O)Nc1ccc(-c2c(-c3ccccc3)c3n(c2CC(=O)O)CC(C)(C)C3)cc1 13737372 PUOHEPQFAYKACX-UHFFFAOYSA-N 402.494 4.990 0 1 HJAF CCSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 28709035 RWCQGKQWYQKYBH-UHFFFAOYSA-N 416.959 4.981 0 1 HJAF Oc1cccc([C@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 28886013 RAEUXCRVYZPPCZ-CLJLJLNGSA-N 406.570 4.929 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153033 WHWOXTLAMAZUQG-JGIRVKCPSA-N 400.607 4.894 0 1 HJAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C[C@H]21 40442281 LOLVHYOCRQVNRM-ZULIPRJHSA-N 417.590 4.808 0 1 HJAF COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)ccc1OC1CCCCCC1 49110232 OENCYLRDDZVSDX-FYWRMAATSA-N 408.498 4.548 0 1 HJAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCCC4)n3n2)cc1 72185386 FTKKLXQYEGYEDB-UHFFFAOYSA-N 401.489 4.710 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F 82152770 ZFFAISHPZFWXJC-QGZVFWFLSA-N 406.505 4.774 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@H]1CC[C@H](C2)N1 100633238 MEFVQAOSGXKVKA-CXAGYDPISA-N 408.548 4.575 0 1 HJAF O=C(O)c1ccc(S(=O)(=O)N(CCC2CC2)c2cc3ccccc3s2)c(F)c1 115231432 MUFWIICXYQSMHE-UHFFFAOYSA-N 419.499 4.734 0 1 HJAF O=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1 169333672 DVSVBYUORBALIL-UHFFFAOYSA-N 424.456 4.720 0 1 HJAF CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 220366207 UYILWVCXYAYIQE-UHFFFAOYSA-N 417.488 4.547 0 1 HJAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 238785914 ZLLJYAHSJDPPOJ-TZZGGMSXSA-N 424.493 4.716 0 1 HJAF CN(Cc1cn([C@H]2CCCC[C@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1 254194386 YHTVARXHWXCZHD-XZOQPEGZSA-N 410.562 4.631 0 1 HJAF O=S(=O)(c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1)C(F)(F)F 586894908 YAZGQASAHFABDE-UHFFFAOYSA-N 420.497 4.902 0 1 HJAF O=C(O)CCc1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992928 BGTAEZAFFJJRBV-UHFFFAOYSA-N 401.443 4.898 0 1 HJAF CC(=O)OCc1csc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586993902 LLRJZAIUOPLZLY-UHFFFAOYSA-N 401.443 4.943 0 1 HJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)c21 587032731 ODPCWRBWUSFUPU-CYBMUJFWSA-N 411.552 4.925 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587126975 PPCFETRIASTCSJ-UFBFGSQYSA-N 414.229 4.805 0 1 HJAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1 587156492 OTZMTGMHZVRJAL-UHFFFAOYSA-N 418.453 4.718 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(COCc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1 587327156 FGYZFHMDRYWHPX-JTHBVZDNSA-N 410.828 4.969 0 1 HJAF COc1cc(F)c2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334208 LTMSUSWMKUSONC-UPVQGACJSA-N 408.400 4.880 0 1 HJAF CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587374414 XUZAOSFQZJAWOK-KRWDZBQOSA-N 415.704 4.729 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(C(=O)O)cc3F)c1)O2 587387065 ZPDGYPMGJFJEQV-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H]1CC[C@@H](C(=O)O)C1)CC2=O 587469141 WVEPJKCCQAGPJN-OZYPNJIESA-N 412.457 4.845 0 1 HJAF CCOC(=O)CC[C@]1(c2cccc(C=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521878 FGFPEFMRCXTUMF-RUZDIDTESA-N 406.478 4.582 0 1 HJAF C[C@@H]1CCCC[C@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582858 OLEVSKKQLSANNE-JUXOCIIHSA-N 407.510 4.767 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583118 QIZZQBDHYVSGDF-QFMFQJCFSA-N 415.489 4.635 0 1 HJAF Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587658091 FPPSWDMGOONVDH-KRWDZBQOSA-N 416.452 4.927 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 587729886 DUZIPTJBQZCIEZ-APBUJDDRSA-N 404.258 4.741 0 1 HJAF COC(=O)C[C@H](C)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587783286 MGVYLWYPNYKORA-CYBMUJFWSA-N 417.303 4.646 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](CCCOc2ccccc2)N1 963169026 GQUBLHCJINUPBL-MSOLQXFVSA-N 413.823 4.858 0 1 HJAF COc1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1 1772580737 ZVFFOXHNUDSYBD-UHFFFAOYSA-N 400.482 4.824 0 1 HJAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356543164 LQRKRHDZKOLWKN-SPTGXSKESA-N 414.678 4.710 0 1 HJAF COc1ccc(C[C@@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1 61903954 LRDPNMQUYDVSNN-GOSISDBHSA-N 419.510 4.720 0 3 HJAF COc1cc(-c2n[nH]c3ccnc(-c4cccc5ncccc45)c23)cc(OC)c1OC 82078788 ZTADHRZIGATVLR-UHFFFAOYSA-N 412.449 4.866 0 3 HJAF CCSCC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27332022 LTPOFZYYCAPXCK-UHFFFAOYSA-N 407.326 4.999 0 1 HJAF COc1ccccc1N1CCN(CCCSc2ccc(Br)cc2)CC1 28886803 KADLKOQNDMSZEB-UHFFFAOYSA-N 421.404 4.762 0 1 HJAF O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 29132434 CHSPXANSXHDQCC-SFHVURJKSA-N 401.915 4.632 0 1 HJAF Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 34817554 JTUUTKLXAMMFKP-UHFFFAOYSA-N 422.341 4.625 0 1 HJAF O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CO)ccc2c1 38149724 WQIVDLAXBUGLGY-UHFFFAOYSA-N 419.893 4.808 0 1 HJAF Fc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1 82187288 CSEZPYMTXKTKIX-HXUWFJFHSA-N 423.536 4.847 0 1 HJAF O=C(NCC1CC1)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 82217216 OCCIZVRXNQGVTB-UHFFFAOYSA-N 412.537 4.941 0 1 HJAF CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84713149 JJNXXYJPUSCLHK-UHFFFAOYSA-N 423.875 4.924 0 1 HJAF Cc1ccc(N2C(=S)N(C(=O)OCc3ccccc3)C(=O)C23CCCCC3)cc1 95872974 QTKQEGIEKRMDPH-UHFFFAOYSA-N 408.523 4.968 0 1 HJAF CSc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1 141097774 FFFDRLLGOBXVQM-FQEVSTJZSA-N 408.489 4.778 0 1 HJAF CN1O[C@]2(C=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2ccccc2C1 146793284 BISBSZKTJSDXHH-WUFINQPMSA-N 419.528 4.829 0 1 HJAF C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 197970804 UCPOISXDWSVEGI-GLXVULDJSA-N 422.488 4.954 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2cccnc2Cl)NC(=O)N1 206447148 DZNHBNDWUAAIJX-KRWDZBQOSA-N 407.886 4.515 0 1 HJAF Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Cl 586938756 RANRZJDSVVHCKI-QGZVFWFLSA-N 412.342 4.854 0 1 HJAF Nc1ccc(-c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1N 587079824 KYAXLWTXFZYXGV-IBGZPJMESA-N 416.916 4.772 0 1 HJAF CCOC(=O)CNc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 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HJAF COc1ccccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587702651 FGUXSBUEQZWPPU-BMLIUANNSA-N 418.228 4.937 0 1 HJAF COCC[C@@]1(Cc2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587728782 FQCFTGYONOKZSZ-XCLFUZPHSA-N 410.302 4.736 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ccc(F)cc2)N1 587736653 WQVQYFIUHQBZDQ-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)no2)N1 587794534 MZRSEZQAGCBCPQ-FKIZINRSSA-N 417.278 4.779 0 1 HJAF CCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587832531 ZBUYWXRNDHDAID-ZSEKCTLFSA-N 420.322 4.793 0 1 HJAF Cc1cc(C)c2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587837549 ILNYTUALOFQYLJ-BLVKFPJESA-N 416.290 4.935 0 1 HJAF Cc1cc(C)c2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587837551 ILNYTUALOFQYLJ-CWTRNNRKSA-N 416.290 4.935 0 1 HJAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccccc4F)CC3)c2)cc1 1857750657 UQWPEIHBSUTBJS-UHFFFAOYSA-N 418.468 4.737 0 1 HJAF C[C@H]1CN[C@H]2[C@H](C1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356340340 MJLSQBTUGWSIFX-OLNDPHRNSA-N 414.678 4.984 0 1 HJAF CC1(C)[C@H]2CC=C3[C@@H](CC[C@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@]34C)[C@@]2(C)CC[C@H]1O 2356392576 HBDJSKMXFZVHGN-RYIULKBLSA-N 411.586 4.535 0 1 HJAF CCCCC1=C2CCC=C[C@]2([C@@H]2C3=C(CC[C@H]2O)[C@@H](CCCC)OC3=O)C(=O)O1 2356543366 ONKAUHUGMINWJT-WOPVWSFHSA-N 400.515 4.507 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](C=CC3=CC(=O)O[C@@H]3O)[C@@H](C(=O)O)CC[C@H]12 2356546687 QBUNBRGDEZXPAU-BKXKTEEGSA-N 416.558 4.704 0 1 HJAF CC(=O)OC[C@]12C(C)=CCC[C@@H]1[C@](C)(C[C@H](OC(C)=O)c1ccoc1)[C@H](C)C[C@@H]2O 2356569282 KSDOXWOAQAJWSO-APYVTPOUSA-N 418.530 4.587 0 1 HJAF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)COc3ccc(F)cc3)cc21 8608090 QQTVIZGOQXPHKA-UHFFFAOYSA-N 408.454 4.584 0 1 HJAF c1ccc(C(CCc2nc(CCNCCc3ccccn3)c[nH]2)c2ccccc2)cc1 13530314 WCRVDPZNPCPPJZ-UHFFFAOYSA-N 410.565 4.944 0 1 HJAF Oc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1 28528359 NNYVVVRDJZRVBT-UHFFFAOYSA-N 422.532 4.838 0 1 HJAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2C(=O)OCCCc2cccnc2)cc1 28642557 NFOISRKCLCJHIE-GBXCKJPGSA-N 422.569 4.551 0 1 HJAF CCOc1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 28862844 YNOCXUDBBYNBPU-UHFFFAOYSA-N 402.466 4.638 0 1 HJAF N=c1n(CCCCCOc2ccccc2)c2ccccc2n1CCN1CCCCC1 28899129 VFOSNQYDBDFWNT-UHFFFAOYSA-N 406.574 4.657 0 1 HJAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(Cl)cc1C2)c1ccc(Cl)s1 38140965 VTWUFVAKJVRFNV-PEBVRCNWSA-N 402.368 4.527 0 1 HJAF O=C(CNC(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 40918574 MDOZGPZABUSJAN-OAQYLSRUSA-N 413.304 4.629 0 1 HJAF Oc1nc(SCCc2ccccc2)nc(Cc2ccccc2)c1Br 49126198 OVRHEXXSCXFTOP-UHFFFAOYSA-N 401.329 4.870 0 1 HJAF CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CC[C@H]2CC(=O)O)cc1C#N 68201940 PLHKTXYJCYEKDM-KRWDZBQOSA-N 404.466 4.841 0 1 HJAF COC1CCN(Cc2ccc3nc(C)c4nnc(-c5ccccc5Cl)n4c3c2)CC1 95593212 UZSLMTQHJNJZLV-UHFFFAOYSA-N 421.932 4.517 0 1 HJAF OC[C@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1 95877646 PDTXHKBXSAOQMH-NQHRYMMQSA-N 406.476 4.981 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 137919701 RTCXOPGJLHDJMS-HBDLFPIVSA-N 414.678 4.672 0 1 HJAF CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)cc1 150125335 MHXZYFIYAZIPTD-UHFFFAOYSA-N 424.501 4.674 0 1 HJAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cs1 218629464 CTMALCSZQSBSSI-UHFFFAOYSA-N 423.519 4.723 0 1 HJAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCc2nc(Br)sc21 220876112 OGVVQLVMSPJXTP-JTQLQIEISA-N 420.159 4.949 0 1 HJAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(Nc3ccccc3)nc21 221977763 GGJFFBDWOABMAE-UHFFFAOYSA-N 412.280 4.628 0 1 HJAF N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)c1ccccc1 223659949 IVLPROCMKPTCHM-SFHVURJKSA-N 402.523 4.711 0 1 HJAF CC(/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO)=C\[C@H](C)[C@@H](O)/C(C)=C/C(C)C 238731875 QQZJCNSHAVQKIC-FTLDZPTASA-N 401.591 4.644 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)cc1 586895749 WZWUHLZDFRNPNB-UHFFFAOYSA-N 406.482 4.726 0 1 HJAF Cc1c(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1C 586967242 RVRUAVIFNKBLKN-UHFFFAOYSA-N 416.304 4.680 0 1 HJAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 586990550 YXQALOLHXGEJSX-UHFFFAOYSA-N 423.468 4.848 0 1 HJAF Clc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c(Cl)n1 587001226 DETSUPMOPLZFPM-UHFFFAOYSA-N 411.090 4.620 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1 587019478 OPLDKBPXOJDCRA-UHFFFAOYSA-N 419.297 4.956 0 1 HJAF COc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cn1 587122830 YZDFAIIGHGUAEP-UHFFFAOYSA-N 406.389 4.964 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(CO)ccc5F)[nH]c4c3)o2)cc1 587140819 RQUSCIDTATVQGC-UHFFFAOYSA-N 416.412 4.587 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1 587144963 OYVGJMNJOUPEGK-UHFFFAOYSA-N 416.334 4.803 0 1 HJAF CCCc1nc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)nn1-c1ccccc1F 587156688 QNQXTIBHCWFXMD-UHFFFAOYSA-N 405.355 4.801 0 1 HJAF CCOC(=O)c1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587191616 NLPLQPAGVPLHBG-IBGZPJMESA-N 409.486 4.696 0 1 HJAF FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587231701 FJHTYKNPQQSFKC-UHFFFAOYSA-N 407.783 4.575 0 1 HJAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354324 QJNGCKGNFJHUCF-PHCYUJGPSA-N 410.441 4.540 0 1 HJAF COc1ccc(Br)c2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 587371743 MQFJDJDQJHRNSC-INIZCTEOSA-N 401.260 4.536 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587372818 GKMRAIPVHAYKCA-KNQAVFIVSA-N 406.438 4.619 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c3nsnc13)CC2=O 587497358 VSWJCZHBIBRUMC-HNNXBMFYSA-N 419.300 4.818 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCO2 587552178 OCELGULLJBLZDB-NQIIRXRSSA-N 410.809 4.520 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccnc2O)c1 587584798 APHWPCLISYYTCD-QPPBQGQZSA-N 411.413 4.863 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598873 YSCRCRNYOJUCPJ-BWKNWUBXSA-N 420.461 4.648 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587719600 LJWNVMKKDWTBAQ-HUTHGQBESA-N 414.221 4.707 0 1 HJAF COCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587797503 VRDGBZJAECTUJE-ZUOKHONESA-N 408.311 4.627 0 1 HJAF COc1cccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c1 587874486 CPHKZIRPMOUGCL-UHFFFAOYSA-N 406.369 4.664 0 1 HJAF CCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1 653861632 FBJYDACRZPKLDO-UHFFFAOYSA-N 417.494 4.892 0 1 HJAF C[C@H]1CN(c2ccccc2[C@H]2c3ccsc3CCN2Cc2cccnc2)CCO1 963001007 XUJDYBUSTYTJPU-UUOWRZLLSA-N 405.567 4.516 0 1 HJAF COC(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(OC)ccc1OC 206493664 PKHZKRRGHRHMPP-UHFFFAOYSA-N 420.465 4.729 0 3 HJAF COc1cc2nc(-c3ccc4c(c3)[C@@H](N(C)C)CCO4)cc(O)c2cc1-c1cnco1 13487608 YFEFNIMXDWAUJM-FQEVSTJZSA-N 417.465 4.656 0 1 HJAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)cc1OCC(=O)O 13782714 PCYAOVHGHAWNES-UMADGWCESA-N 411.498 4.562 0 1 HJAF CN(C)CCCNc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 29343037 NQTZVSXZOCJJSF-UHFFFAOYSA-N 423.923 4.651 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1F 36189340 NMPUFHPNLBRJGC-PJWYAHGOSA-N 410.533 4.678 0 1 HJAF CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 40564927 FIOZUJXSEZUYCS-VXFGSBJXSA-N 420.590 4.804 0 1 HJAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3cccc(C)c3)CC2)o1 53297722 MYKYKCPOQNMEGD-UHFFFAOYSA-N 418.585 4.514 0 1 HJAF CCCC[C@@H](CC)CNc1nc(NC[C@H]2CCCO2)nc2cc(OC)c(OC)cc12 82128697 PJFMIFFKQLQYKJ-IAGOWNOFSA-N 416.566 4.866 0 1 HJAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 82143074 YKCWTOZAEKRHQB-RTBURBONSA-N 412.578 4.973 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2C[C@@H]1CCCO1)c1ccccc1 82187655 JNHNUSZNNWVMLW-RXVVDRJESA-N 413.525 4.888 0 1 HJAF COCCN(C)Cc1ccc(-c2cc(-c3c[nH]nc3-c3cccc(C)n3)ccn2)cc1 84688575 MELQUSBAUHBETM-UHFFFAOYSA-N 413.525 4.587 0 1 HJAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 100107640 NPXTWBJZYGZKSG-JOBHKAQDSA-N 401.432 4.710 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116822823 QMWOOCYQPLLKKR-PMACEKPBSA-N 409.489 4.703 0 1 HJAF CCOc1ccc(CCNC(=O)c2ccc(C3(C(F)(F)F)N=N3)cc2)cc1OCC 149152927 WHKJHBQLRYQAQT-UHFFFAOYSA-N 421.419 4.637 0 1 HJAF O=C(Nc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1)N1Cc2ccccc2C1 166834077 BTGNGQLMBCZDQA-SFHVURJKSA-N 417.431 4.649 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2ccccc2)c1 167486930 IIZPCODOTFDRPI-DYESRHJHSA-N 402.494 4.876 0 1 HJAF ClC(Cl)(Cl)c1nc2cc(I)ccc2n2cccc12 169348645 HQIOCUPKPOEHDT-UHFFFAOYSA-N 411.457 4.919 0 1 HJAF COc1cc(N[C@H](C(=O)c2c[nH]c3cccc(CO)c23)c2ccccc2)cc(OC)c1 218365397 QVPWEWJQBFECPP-DEOSSOPVSA-N 416.477 4.714 0 1 HJAF COc1cc(C)cc(OC)c1-c1cc(Cl)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 219450740 OYWDYVMHSSTKHM-MRXNPFEDSA-N 416.861 4.631 0 1 HJAF CCCCN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 223668986 NVWLEPSTHQBWAG-UHFFFAOYSA-N 407.587 4.554 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCc3sccc3C2)CC1)c1cc2ccccc2[nH]1 473128548 CCNIXDLQIKAMFP-IRJFHVNHSA-N 407.583 4.966 0 1 HJAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C 586933838 YNTHEFWNIQLJDI-CYBMUJFWSA-N 411.877 4.652 0 1 HJAF O=C1COc2cc3[nH]c(-c4cc(Cl)cc(Cl)c4Br)nc3cc2N1 586977900 VEYCMZSWJTUAHY-UHFFFAOYSA-N 413.058 4.630 0 1 HJAF CCOC(=O)c1c(C)[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586990216 WKIXRZVLKVDDHU-UHFFFAOYSA-N 412.445 4.940 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(Br)ccc3[nH]2)s1 587023667 SWMSUEGRSDVDNT-UHFFFAOYSA-N 413.272 4.935 0 1 HJAF O=C(c1ccc(-c2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12 587276383 NKSNYQWSJZAFNQ-UHFFFAOYSA-N 408.251 4.981 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](CCCO)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587334858 MTUDRKWJXAZXOO-UPVQGACJSA-N 410.416 4.697 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3nc(Cl)sc3C2)[C@H]1c1ccc(F)cc1 587373738 NKOFLUDCRUICHD-GHTZIAJQSA-N 415.873 4.928 0 1 HJAF COc1cc(OCc2ccccc2)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587399201 JNKKIVVZKWGGHC-QHCPKHFHSA-N 419.477 4.880 0 1 HJAF COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587429862 XKRDKRGWMNFGOZ-BWKNWUBXSA-N 404.437 4.729 0 1 HJAF C[C@@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551139 DRKRKXBNUHYQGU-UZLBHIALSA-N 402.233 4.971 0 1 HJAF CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598396 ULFNXPIJISHRDN-DHLKQENFSA-N 418.445 4.511 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccn2)s1 587612762 NBJIWPKRGUGUKC-RXVVDRJESA-N 402.431 4.614 0 1 HJAF COc1cc(SC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587613840 PIQOZLHCNLVCIL-OFNKIYASSA-N 424.474 4.834 0 1 HJAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Cn2ccnc2)cc1 587623506 UIAYKIKPNQLAGL-UHFFFAOYSA-N 422.286 4.727 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3ccccn23)N1 587705692 NWMTVUHCABDGGC-MLCYQJTMSA-N 408.702 4.687 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3)c2)N1 587764184 OTTJDNIJPJPXFK-RNODOKPDSA-N 400.295 4.572 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc2n[nH]c(C)c2c1 587860286 SNJLGSGVPHPAJL-UHFFFAOYSA-N 416.268 4.524 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1scc(C)c1Cl 587870020 XULMXIIVCYBFNL-UHFFFAOYSA-N 401.797 4.684 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2cc(OC)ccc2c1 587871077 YTNQEFFTCHGUED-UHFFFAOYSA-N 420.440 4.969 0 1 HJAF COC(=O)c1cc(-n2c(OC(C)(C)C)cc(C)c2O)c(Cl)cc1Br 587937828 YTWVGCLIYQPFPQ-UHFFFAOYSA-N 416.699 4.871 0 1 HJAF Cc1c([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cccc1C(F)(F)F 962641563 POSQYLOJPKGLTC-XJKSGUPXSA-N 419.321 4.601 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(Cl)c(Cl)c(C(F)(F)F)c2)N1 962896327 CCBMGGBRYMYWGP-SWLSCSKDSA-N 408.178 4.840 0 1 HJAF Fc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1I 963121559 NMLYYUKRGDYEPM-OAHLLOKOSA-N 422.068 4.972 0 1 HJAF COc1ccc([C@@]2(CCc3cccc(C)c3)NCCc3c(C(=O)O)cccc32)cc1 963127781 YKZZXGNGISBNHZ-AREMUKBSSA-N 401.506 4.724 0 1 HJAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(F)c1F 963189981 NKAVWZIYPSGIGN-LRDDRELGSA-N 405.750 4.634 0 1 HJAF COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccncc4)cc3)c2cc1OC 1142182137 FGQLSJHKFPNDMT-UHFFFAOYSA-N 415.449 4.621 0 1 HJAF COCCN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)c1ccc2ccccc2c1 1772628590 CSWGKVMTIQCQLQ-QHCPKHFHSA-N 416.565 4.841 0 1 HJAF COc1ccc(-c2cnc3cnc(-c4ccc(C(=O)NC5CCCC5)cc4)cn23)cc1 1857549822 XRWWCSCQOVDKDV-UHFFFAOYSA-N 412.493 4.744 0 1 HJAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OCCCC 2356625849 BMYXDZANAIBOQH-BHIFYINESA-N 408.579 4.942 0 1 HJAF CC(C)=CCCC(C)=CCC[C@]1(C)O[C@@H]2c3ccc(O)cc3OC(=O)[C@H]2C[C@H]1O 2356859958 UACDPQZEUCVSKT-BQUSRXHISA-N 400.515 4.981 0 1 HJAF CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12 95567303 OCPWFIMKMJGPPL-BVAGGSTKSA-N 403.522 4.882 0 3 HJAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@@H]1O 774935 YDEONWVRKZOZQV-OALUTQOASA-N 424.472 4.580 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4043239 AUCQBQVOULQCDH-CTNGQTDRSA-N 417.912 4.553 0 1 HJAF Cc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 13586575 JINXBCRENWAIPY-RUZDIDTESA-N 419.613 4.871 0 1 HJAF COc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1 13589102 XPEYHYAMWSPOJP-UHFFFAOYSA-N 416.565 4.780 0 1 HJAF C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OCc2ccccc2)C1 26497715 IGWJXDKXBWRVCJ-WINFUBTFSA-N 410.554 4.823 0 1 HJAF CC1(C)CCNc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21 28526491 SWKDCCLYHAYMLD-UHFFFAOYSA-N 424.589 4.893 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1cccnc1 38359531 RDTUIFFBAXBHLC-SFHVURJKSA-N 420.517 4.642 0 1 HJAF CC(C)CCN1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 45301856 DXPLOSFJPHVZPN-UHFFFAOYSA-N 415.528 4.771 0 1 HJAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@@H]1CCCN1C 82185232 KVBILLQCNJVOAY-SFHVURJKSA-N 412.969 4.529 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncnn1C1CCC1 95590078 UBGWXSYHQYIJPU-ZWKOTPCHSA-N 401.301 4.986 0 1 HJAF CCCN1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CN(C(C)=O)C1CCCC1 95872067 BNTPZVCXZMVTFV-TWJOJJKGSA-N 410.602 4.584 0 1 HJAF Cc1cc(C)c(-c2nc3c([nH]2)COCC3)cc1C(=O)N1CCC(c2ccccc2)CC1 98185527 QJFIDTWSKOLTLT-UHFFFAOYSA-N 415.537 4.786 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(OCC(=O)O)c2)cc(-c2ccc3ncsc3c2)n1 205846758 MVVHFZQSMRJOLJ-ZDUSSCGKSA-N 420.494 4.698 0 1 HJAF NCCCCN(Cc1nccc2c1[nH]c1cc(F)ccc12)[C@@H]1CCCc2cccnc21 208473933 GQVVKVDNSZUCRF-HSZRJFAPSA-N 417.532 4.869 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@H](/C=C/C4=CC(=O)O[C@@H]4O)[C@]3(C)CC[C@H]12 238772743 CNXOWEJEIZUYTD-CVMUOXHOSA-N 402.575 4.754 0 1 HJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4CNC(=O)OC(C)(C)C)-c1ccccc1C2=O 586994807 ANRZNZUSDAQTBR-CQSZACIVSA-N 400.478 4.919 0 1 HJAF FC(F)(F)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1 586998627 MQCXSMJMEYYOND-OWOJBTEDSA-N 412.165 4.638 0 1 HJAF Oc1c(Br)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587115819 BIMBYAGZJLMGBC-UHFFFAOYSA-N 409.165 4.660 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(OC)cc(OC)c3[nH]2)c1 587147701 YAYPQWSEDIQDDU-UHFFFAOYSA-N 422.412 4.760 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2nc(C(C)(C)C)ccc2[nH]1 587180179 DNFGTNAKJVGKTI-JTQLQIEISA-N 423.302 4.695 0 1 HJAF COc1ccccc1N1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350180 YZQCTIHKVVURRK-NOZRDPDXSA-N 419.452 4.548 0 1 HJAF C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354703 RDOMWGPUKRHZEZ-UDWICLLHSA-N 412.457 4.786 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376784 UAFRFJDLYFEMTG-FQEVSTJZSA-N 408.281 4.698 0 1 HJAF COc1ccc(C[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442589 LZGQBYQYYFWHCJ-ATIYNZHBSA-N 416.473 4.598 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)CC2=O 587477331 QMBGUIYJMWKQSI-IQMFZBJNSA-N 403.519 4.858 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(C(=O)O)cccc12 587529100 JCXOJQUFKISZSF-HHHXNRCGSA-N 424.452 4.717 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(N1CCOCC1)=CSc1ccccc12 587537891 LKKVZUGBSUEBEX-RUZDIDTESA-N 419.546 4.705 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587572222 ONLJBJVTJTWDKT-OPIMXGKCSA-N 415.489 4.941 0 1 HJAF CCc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 587614002 ZXJDVNORVFPNFV-PXDATVDWSA-N 414.413 4.764 0 1 HJAF CSc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 587615535 YBEXHZCYUJWBCD-REWPJTCUSA-N 422.458 4.588 0 1 HJAF C[C@@H](Oc1ccccc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657273 SZFTXZRTVJTFGZ-CQSZACIVSA-N 422.843 4.964 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ncccc3Cl)c(=O)c3ccccc23)c(O)c1 587666610 ZFYRHIIQFSVUPO-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF COc1ccccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587702654 FGUXSBUEQZWPPU-QGHHPUGFSA-N 418.228 4.937 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1 587712019 ZHORCQORTXANQO-ZYSBLVPFSA-N 408.233 4.639 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2OC(F)(F)O3)N1 587723127 VNFKWZSSUMRZOX-XYZCENFISA-N 414.221 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1 587731607 HRRPYRKVYKZDPR-MEELVIRWSA-N 420.297 4.994 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cncc2Br)N1 587734861 SCMTZJSXJZYEPU-KWKYVRJSSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ncccn3)c2)N1 587775307 QORZYIWVLCQIFX-CWTRNNRKSA-N 414.278 4.794 0 1 HJAF CCOC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792877 DFNZSKCNMVQEIW-FZKQIMNGSA-N 420.322 4.973 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587808234 NTVRMFYKXMTMSS-SMHULIPUSA-N 412.343 4.851 0 1 HJAF COc1cc(/C=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810894 YHRIZMRGGQBWMH-RRUFZAPTSA-N 406.295 4.765 0 1 HJAF COc1ccc(-c2cc(O)n(CC3CCN(Cc4ccc(F)cc4)CC3)c2O)cc1 587947082 RXUGIRXGFJSDNL-UHFFFAOYSA-N 410.489 4.626 0 1 HJAF COc1cccc(CC[C@@]2(c3ccc(F)cc3)NCCc3c2c(C(C)C)nn3C)c1 962924859 XBQWSDVDSTXENJ-VWLOTQADSA-N 407.533 4.713 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(Br)cccc2C(=O)OC)N1 962952721 VPHPMOUIJZLANS-YUNKPMOVSA-N 413.315 4.731 0 1 HJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(I)c(F)c1 963109463 UTGRGQANBZBPHD-RDTXWAMCSA-N 411.233 4.679 0 1 HJAF C[C@@]1(COc2ccc3c4c(c(=O)oc3c2)CCCC4)NCCc2cccc(Cl)c21 963390662 MRSNTLMIIGYUCB-DEOSSOPVSA-N 409.913 4.765 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](C[C@@H]1NCC(C)(C)c2cc3c(cc21)OCO3)C(C)(C)C 963391999 XEFJRTJQIVINOE-LPHOPBHVSA-N 404.551 4.667 0 1 HJAF CC(C)(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 1911580059 BIYRMPWKIFZJDV-UHFFFAOYSA-N 400.881 4.797 0 1 HJAF CO[C@@H]1OC(=O)C2=C[C@H](OC(=O)C=Cc3ccccc3)[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]21 2356456536 IJBOCWFTWIQMQW-FSIRCMOZSA-N 410.510 4.530 0 1 HJAF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@@H]21)C(=O)O[C@@H]4C[C@@]3(C)O 2356644060 QQIDJUCXUQXXFU-LNDXHILISA-N 402.575 4.549 0 1 HJAF CC=C(C)[C@H](O)C(C)=CC(C)=CC=CC=C[C@]1(C)[C@H](C)C(=O)O[C@@H]1[C@@H](C)C(=O)O 2356837642 LLPMFUMHVUYYMI-XQWURTRYSA-N 402.531 4.607 0 1 HJAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCCC[C@H]1c1cccnc1 11666805 UDMAVDNGAMFVFU-IBGZPJMESA-N 415.852 4.809 0 3 HJAF C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1cc2ccccc2o1 61895969 MGJBWHWTILKNCJ-NRFANRHFSA-N 402.416 4.732 0 3 HJAF COc1cccc(NC(=O)N2CCc3nc(Nc4ccc(C(C)C)cc4)ncc3C2)c1 61896878 MOLXKHJUXKAVLZ-UHFFFAOYSA-N 417.513 4.942 0 3 HJAF CC1=NN(c2cccc(Cl)c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 5964595 PQVPWQTUNDHUAD-LJQANCHMSA-N 414.943 4.970 0 1 HJAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1 13677511 GBRACIWJCUBBNF-CTNGQTDRSA-N 403.975 4.966 0 1 HJAF Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(Cc1ccccc1)C2=O 34806310 YOVGURDWRKRWGZ-UHFFFAOYSA-N 412.320 4.979 0 1 HJAF O=C(/C=C/c1ccccc1/C=C/Cc1ccccc1)NS(=O)(=O)c1cccs1 36349267 PEXWYCRWRXGYBH-XIFKOZHTSA-N 409.532 4.522 0 1 HJAF COc1ccccc1CNC(=O)C1CCN([C@H](C)c2ccc3ccccc3c2)CC1 53314684 UOGPXGFAORGBRT-LJQANCHMSA-N 402.538 4.938 0 1 HJAF COc1ccc([C@H]2CC(=O)c3c(O)cc(OCc4ccccc4)cc3O2)cc1OC 95563400 FGHMKMCSHHYQFB-OAQYLSRUSA-N 406.434 4.695 0 1 HJAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)cc1OC 104036497 DNIODSJCGPKQBJ-NRFANRHFSA-N 402.454 4.634 0 1 HJAF CC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1c(Br)cc(Br)c(O)c12 140596518 YZJXVTXZQKEAOV-HOTGVXAUSA-N 416.157 4.598 0 1 HJAF O=C1c2cc(-c3ccc(Oc4ccccc4)cc3)ccc2OCCN1Cc1ncccn1 206223601 LOILFFIYTQCZKK-UHFFFAOYSA-N 423.472 4.971 0 1 HJAF COc1ccc(-c2ccc(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 299837032 ODESZRGYPOLTSA-UHFFFAOYSA-N 417.505 4.507 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 586916202 LEENKQIVPWIWQZ-ORAYPTAESA-N 403.251 4.681 0 1 HJAF O=C(O)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587000027 JYAXOQQSMIEGKC-UHFFFAOYSA-N 423.270 4.698 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@H]21 587028056 VJQVETDGTAHQDU-KPOBHBOGSA-N 405.527 4.576 0 1 HJAF Fc1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1-n1cccn1 587039775 FVBCRSWWUYRZEH-UHFFFAOYSA-N 412.515 4.945 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587041367 FNZBXYQBFQGEQD-KRWDZBQOSA-N 417.918 4.511 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H](O)c4ccccc4Cl)[nH]c3c2)cc1 587059993 XHPXHAQSKAPFFZ-HXUWFJFHSA-N 408.841 4.877 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1Cl 587065425 PVVPDUCBADRJIA-UHFFFAOYSA-N 409.593 4.786 0 1 HJAF FC(Br)(Br)c1nc2cc(Cl)cc(Br)c2[nH]1 587088851 SNCZQSOYWWYGNF-UHFFFAOYSA-N 421.289 4.848 0 1 HJAF FC(F)(F)c1ccccc1Cc1nc2cccc(I)c2[nH]1 587107856 WSARNMGTUFYVEY-UHFFFAOYSA-N 402.157 4.777 0 1 HJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1OC 587399560 KSZJQHLXZKAGGY-XMMPIXPASA-N 419.477 4.880 0 1 HJAF CC(C)(C)OC(=O)N1[C@@H](C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587519314 YVBBJPMHNAEQJF-IRXDYDNUSA-N 415.530 4.661 0 1 HJAF COc1ccc2c(c1)C(C)(C)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599219 DGNWPKBVHULUNO-PXDATVDWSA-N 402.446 4.939 0 1 HJAF COC(=O)CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613469 PAFPQOUUJQGFAP-NZQKXSOJSA-N 424.474 4.654 0 1 HJAF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628309 SGGDDFRVVZTARK-UHFFFAOYSA-N 405.298 4.783 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587708662 CXCNVYJBIWNPMO-BMLIUANNSA-N 416.212 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(F)cc2)N1 587737572 YBWZURQLDNYRRG-FUKJIOSGSA-N 407.302 4.580 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN3CCCC3)c2)N1 587765175 IPXBNSDSMHPFTR-LHSJRXKWSA-N 403.339 4.808 0 1 HJAF CN(C)C12C[C@H](c3ccccc3)C(CN(CCN3CCCC3)C1)[C@@H](c1ccccc1)C2 653873524 SYEUKHXFCULUKP-XPALAHHGSA-N 417.641 4.676 0 1 HJAF C[C@]1(CC(=O)Nc2ccc(F)cc2F)NC2(CC2)Cc2ccc(Br)cc21 961613218 GXWADDXKBODBGG-LJQANCHMSA-N 421.285 4.650 0 1 HJAF CC(C)(C)[C@@]1(C[C@](O)(c2ccccc2)C(F)(F)F)NCCc2nc3ccccn3c21 962982769 KFRKFEXVZDZFCP-VXKWHMMOSA-N 417.475 4.562 0 1 HJAF O[C@]1(Cc2cc(-c3cn[nH]c3)on2)CC[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1 1772644818 ZAYUGTUDYGNQFR-GSXCWMCISA-N 421.419 4.670 0 1 HJAF NC(=O)[C@@H]1C[C@H]1c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772652034 KUYJVLRNBSCRQU-DLBZAZTESA-N 413.403 4.571 0 1 HJAF FC(F)(F)c1cnc(NCCCCCNC(=S)Nc2cccnc2)c(Cl)c1 1857613256 VEZFSBRDYADSFV-UHFFFAOYSA-N 417.888 4.718 0 1 HJAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C=CC(C)(C)O)O[C@H]3[C@@H]2[C@H](C)CC[C@H]2[C@H]1C 2356557859 DWFVTYSPFRBHTG-UEIKENIGSA-N 410.510 4.887 0 1 HJAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC=C[C@@H]2CCN(C3CC3)C(=O)[C@@H]21 12478811 VBNXEGMXFGLKGA-ZLENFMNRSA-N 412.839 4.501 0 3 HJAF COC(=O)[C@@](O)(c1ccccc1)[C@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1 206048380 CXSJUNKKBUBEMY-FYYLOGMGSA-N 411.885 4.563 0 3 HJAF CCc1nc2c(C)ccnc2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21 837929 MZKCLCSQRVIUDV-NRFANRHFSA-N 421.508 4.685 0 1 HJAF Cc1ccc(C(=O)c2oc3cccc(OCCCNCc4cccnc4)c3c2C)nc1 1912803 DRSIHXSBXYQZDQ-UHFFFAOYSA-N 415.493 4.629 0 1 HJAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1cccc(Br)n1 27625685 SFMQMMHUFLKDAG-AWEZNQCLSA-N 404.116 4.930 0 1 HJAF N[C@H](COc1cncc(-c2ccc3[nH]nc(C4CC4)c3c2)c1)Cc1c[nH]c2ccccc12 38412441 XFSGQISORHPKEK-FQEVSTJZSA-N 423.520 4.932 0 1 HJAF Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)nc(Nc2ccccc2)n1 45228279 VHELFZUZGSLHMR-QFIPXVFZSA-N 415.541 4.611 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2cc3nc(-c4ccccc4)nn(-c4ccccc4)c-3cc2=O)C1 95573522 BENPELZFEHWECG-KDURUIRLSA-N 410.521 4.882 0 1 HJAF CCOc1cc(/C=C2\OC(=O)C(Cl)=C2Cl)ccc1OCCc1ccccn1 103229239 MHQROZUURSCCLO-ATVHPVEESA-N 406.265 4.689 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H](/C=C/C3=CC(=O)O[C@@H]3O)[C@@H](C(=O)O)CC[C@H]12 136956185 QBUNBRGDEZXPAU-OZTGXINSSA-N 416.558 4.704 0 1 HJAF Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1 142571576 PZDKVKLHXKDLSP-UHFFFAOYSA-N 414.412 4.880 0 1 HJAF O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1cccc(Br)c1 169304272 BYEUAYLBTVMPAS-IBGZPJMESA-N 405.251 4.769 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169321924 XQSKEOBPPYRPOT-PBEQBEOPSA-N 414.634 4.887 0 1 HJAF CO[C@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]3c4cccc5c4c(cn5C(C)C)C[C@@H]3N(C)C2)CC1 169352416 RJBJIKXTJIZONR-NMYYWNCESA-N 424.585 4.683 0 1 HJAF Cc1c(COc2cccc(Cl)n2)cncc1-c1cc2c(cc1F)N(C)C(=O)CC2 221021796 AXYUWABBMLCXJW-UHFFFAOYSA-N 411.864 4.733 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccccc5)c5c4[C@]3(C)CCC5=O)[C@H]1CCC2=O 253638816 BXNNFPHCTNPRQD-HQVLYOBFSA-N 402.538 4.733 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 586915163 BJFFBFZYFDQMBD-WLRWDXFRSA-N 421.241 4.820 0 1 HJAF Cc1ccc(-n2cnnc2SCc2nc3c(F)cnc(Cl)c3[nH]2)cc1Cl 586968354 QQOVPCVWCPWCCC-UHFFFAOYSA-N 409.277 4.585 0 1 HJAF Cc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Cl 587000543 QKGUUZULHSWIPH-UHFFFAOYSA-N 405.635 4.766 0 1 HJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(N3CCN(C)CC3)ccc2[nH]1 587066049 GTNFFIRZCUFMHK-UHFFFAOYSA-N 405.933 4.734 0 1 HJAF FC(F)(F)Oc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076083 INSSWKYQXJRKOK-UHFFFAOYSA-N 408.767 4.950 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2F)c1 587143944 NUJQFYJRYGHCIA-UHFFFAOYSA-N 402.385 4.619 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Cl)nc2[nH]1 587231083 MFXDXUULICJFQP-UHFFFAOYSA-N 407.861 4.501 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CC(C)(OC)OC)c1F)CC2=O 587466279 KMXWRKSHWFLUES-QHCPKHFHSA-N 416.489 4.916 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(CCC)CC1)CC2=O 587474547 IFEVUHBVUVSDNT-DEOSSOPVSA-N 408.542 4.583 0 1 HJAF C[C@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558151 QNVAWEGNANSMJN-XUZZJYLKSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cccnc12 587585230 CVSLAYJNALMGCP-OFVILXPXSA-N 409.397 4.798 0 1 HJAF Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1C 587652159 MDMWMWUJZZONGV-UHFFFAOYSA-N 418.880 4.934 0 1 HJAF COc1ccc(Cl)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657260 SSXWYRDUBVZZDY-UHFFFAOYSA-N 408.816 4.553 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1 587724449 IBWAEHYIVVCVCN-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccccc2F)N1 587727282 NGYLKKZPOPDUKW-XTZNXHDOSA-N 404.258 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587728553 FIRMIGWBGPDCMA-AYLIAGHASA-N 422.248 4.880 0 1 HJAF Cc1nccn1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754996 NNBSFZFZCAYRPZ-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF Cc1csc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587851186 HMJUMKSCDWOKPL-QGHHPUGFSA-N 406.324 4.767 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2ccccc2cc1O 587868204 XGWOEGLJCQLRFZ-UHFFFAOYSA-N 413.355 4.520 0 1 HJAF COc1c(C)cc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1C 963188229 VYTBEIOFZUWGKT-DLBZAZTESA-N 413.823 4.673 0 1 HJAF COc1ccc2c(c1)[C@@H](c1cc(F)ccc1C(=O)O)N(Cc1ccc(F)cc1)CC2 963302389 NGEGKYXDCQIZSO-QHCPKHFHSA-N 409.432 4.819 0 1 HJAF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12 1857608535 MOWNMIBIMCTQLI-WEVVVXLNSA-N 402.876 4.517 0 1 HJAF C[C@H](CCCCCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356345688 XUIDIXMFLJXJDI-ZFVIQDPVSA-N 414.583 4.570 0 1 HJAF Cc1cc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C 8578976 ZAAWLWULTIMUGK-UHFFFAOYSA-N 415.493 4.650 0 3 HJAF CC[C@@H](C)c1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 28524900 HXHFIGOJEFETFR-QGZVFWFLSA-N 423.520 4.976 0 1 HJAF CCc1c(Cc2c(F)cccc2F)nc(SCc2ccc(OC)cc2)[nH]c1=O 28862860 PNCYVQHKELPUMG-UHFFFAOYSA-N 402.466 4.502 0 1 HJAF CNCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C 28952212 JHWLJPVSMWUADF-UHFFFAOYSA-N 419.573 4.547 0 1 HJAF O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1 29411773 FYDXWMWLCSEPLS-CVEARBPZSA-N 401.330 4.952 0 1 HJAF CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@H](O)CO)cc2Sc2ccccc21 33889758 ALAWFOUNZCSZPS-GOSISDBHSA-N 420.530 4.958 0 1 HJAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCNC1)c1ccc2cnccc2c1 72178905 REUCABNHPPJJRD-YLJYHZDGSA-N 400.309 4.622 0 1 HJAF CCCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2F)n1 82151949 NZXXJIGVANKUAP-UHFFFAOYSA-N 410.468 4.606 0 1 HJAF Cc1cc(-c2cccnc2OC2CCN(C(=O)c3ccc4ccccc4n3)CC2)ccn1 96168937 LTAGFRBYDDSGMV-UHFFFAOYSA-N 424.504 4.684 0 1 HJAF O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929571 UKCKMAPJVUQTAB-PCCBWWKXSA-N 413.359 4.824 0 1 HJAF COc1nc(C[S@@](=O)c2nc3ccccc3[nH]2)nc2scc(-c3ccccc3)c12 98085727 OBSWXWJSIGYYJK-LJAQVGFWSA-N 420.519 4.551 0 1 HJAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CC(C)(C)O)c12 118738656 LHOIAZYXSGLUCJ-JTQLQIEISA-N 419.478 4.509 0 1 HJAF Brc1cc(Br)c2nc(SCCN3CCCCC3)[nH]c2c1 141653941 NUHAJINHCLQHGI-UHFFFAOYSA-N 419.186 4.666 0 1 HJAF CCc1ccc(COc2ccc(C3CN(C(=O)c4cccc(C)n4)C3)cc2OC)cc1 143579940 QNUYNXTXOOLOLX-UHFFFAOYSA-N 416.521 4.780 0 1 HJAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261143346 NKQAJKSSUARMMF-XUTJKUGGSA-N 412.574 4.714 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c(C)ccc(C)c3[nH]1)C(=O)OC2 586915003 FBYQUNVPXCQAIC-MLPAPPSSSA-N 420.509 4.994 0 1 HJAF COC(=O)c1cc2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2cc1OC 587003636 KREISRJAXMAYAQ-UHFFFAOYSA-N 415.243 4.842 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005654 ORPKFHZFKQONCF-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Fc1c(F)c(F)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1F 587018285 VESFRKCEXNPKJM-UHFFFAOYSA-N 415.375 5.535 0 1 HJAF O=C(Nc1nc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cs1)c1cccs1 587020058 VHFWGSPVOZYJOQ-UHFFFAOYSA-N 410.311 4.626 0 1 HJAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587194329 PZCSXQYTUOYWGY-ZDUSSCGKSA-N 418.485 4.692 0 1 HJAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587330157 NOULVVPMEPTOQV-SIKLNZKXSA-N 412.800 4.524 0 1 HJAF COc1cc(OCc2ccccc2)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587399200 JNKKIVVZKWGGHC-HSZRJFAPSA-N 419.477 4.880 0 1 HJAF COc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506864 QHZLXIYUJVIJDH-XMMPIXPASA-N 412.457 4.829 0 1 HJAF Cc1cc(C)c2c(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2n1 587573023 ARKCNBAIAYKCOG-UUOWRZLLSA-N 416.433 4.609 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614971 DYWJEMMYSPCAOF-SQJMNOBHSA-N 418.445 4.819 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(N)c2)N1 587681016 VYGIBPCFCYJWMD-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1 587711298 JQEZXTJLKATTON-BCTVWOGZSA-N 404.201 4.936 0 1 HJAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587774153 LSLRRRBNRFPZSS-JEOXALJRSA-N 401.279 4.769 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(COCc3ccccc3)C2)N1 587803877 CHMMAYURJNWOJZ-HXJYWVFZSA-N 404.323 4.945 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)n(C)n2)N1 587852672 MSWDCINJDYMVMU-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF Cc1ncc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)nc1Br 587940729 LJMALNSNFZWUJL-UHFFFAOYSA-N 420.694 4.676 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962714842 TUOKMCWTOMPJRK-CYFREDJKSA-N 413.558 4.996 0 1 HJAF C[C@]1(c2ccc3oc(N)nc3c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817804 QCIXYOKIXLEHIF-AREMUKBSSA-N 424.504 4.880 0 1 HJAF O=C(c1cccc2ncccc12)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 1772649624 IEVLPXBKOPAHHL-OAQYLSRUSA-N 419.431 4.712 0 1 HJAF O=C(O)c1ccc(NC(=O)c2ccccc2Cc2csc(N3CCCCC3)n2)cc1 1857542489 MTRHKEVVZLIVRS-UHFFFAOYSA-N 421.522 4.675 0 1 HJAF Cc1ccc(NC(=O)C[C@H](CCN)c2nnc(CCCC(C)C)n2C2CC2)c(C)c1 1857576084 NVCMJGZWAKZEDM-IBGZPJMESA-N 411.594 4.670 0 1 HJAF CCCc1nn(C)c2c(NCc3ccc(OC)cc3)nc(/C=C/c3ccco3)nc12 1857579988 QUCHTWUZYWIOIL-OUKQBFOZSA-N 403.486 4.700 0 1 HJAF COc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OCc1ccc(C)cc1 1857747867 HGOMUQJWHHYAAR-FYWRMAATSA-N 401.506 4.955 0 1 HJAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 12480446 JERWIOOUCRXHSG-PKOBYXMFSA-N 408.498 4.638 0 3 HJAF CCCCC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473494 KNVDCZMCSIJUPT-QHCPKHFHSA-N 409.482 4.765 0 1 HJAF CCCOC(=O)c1c(-c2ccccc2)nc(CCO)c(C(=O)SCC)c1CCC 13794214 FVJPNUKHDFVHPJ-UHFFFAOYSA-N 415.555 4.696 0 1 HJAF Cc1cccc(-c2nc(SC[C@H]3C[C@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1 27433523 LDYIMNWESYEUBM-DVECYGJZSA-N 422.550 4.909 0 1 HJAF O=C(CCCN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(Cl)cc1 28646966 MJBDXOPGKSGWDR-UHFFFAOYSA-N 424.347 4.669 0 1 HJAF CN1C[C@H](C(=O)Nc2nccs2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]21 34800957 OYWXVFDTIHNXDL-QGPMSJSTSA-N 408.571 4.521 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccco1 35259297 LAIPLFMTINBGHP-OAHLLOKOSA-N 409.158 4.693 0 1 HJAF Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4ccccc4C)o3)nc2n1 40917352 JLQOMXRSFDGICF-CQSZACIVSA-N 412.544 4.578 0 1 HJAF Fc1ccc(OCc2cc3c(OCCCNCc4cccnc4)cccc3[nH]2)c(F)c1 64553515 FFIAPCNTKBHIOO-UHFFFAOYSA-N 423.463 4.979 0 1 HJAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CCNC2 64560868 ASAAKNKHYPJQGZ-UHFFFAOYSA-N 423.438 4.661 0 1 HJAF CCCOc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 73196973 IOXSEXQBSGZULX-QHCPKHFHSA-N 421.562 4.912 0 1 HJAF Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1 96173079 XOEYXHCZYQOOHV-UHFFFAOYSA-N 414.553 4.798 0 1 HJAF Cc1c(CC(=O)O)c(-c2ccncc2)nn1C(c1ccc(F)cc1)c1ccc(F)cc1 96270525 FBDDJSBZIRVFTM-UHFFFAOYSA-N 419.431 4.797 0 1 HJAF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2cccc(OC)c2)cc1 102097251 NBDJJGFLLNVWOY-FYJGNVAPSA-N 415.449 4.841 0 1 HJAF NC(=O)c1cc(NCc2cccnc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592471 OYKHEVOCICOORG-UHFFFAOYSA-N 414.440 4.786 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169368930 XZGUOAXOYPYCGD-VGPQQVRVSA-N 400.607 4.645 0 1 HJAF CC(C)(C)n1c(-c2ccnc(Br)c2)nc2cc(-c3cnc(N)nc3)ccc21 169703415 RWVSVDXVRVHMQL-UHFFFAOYSA-N 423.318 4.655 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C[C@H]4CCCOC4)C3)cc12 473162934 XBNUEPONISZDQX-IAGOWNOFSA-N 409.505 4.594 0 1 HJAF Fc1c(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1F 587042941 WERBRKQGYFGNLA-QWHCGFSZSA-N 410.287 4.550 0 1 HJAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 587052960 VQGZXNCCMUGLQQ-LLVKDONJSA-N 401.091 4.580 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587076130 JOCMANFPEQSMOY-UHFFFAOYSA-N 401.756 4.972 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1N)(c1ccccc1F)[C@@H](C2)C3=O 587427255 RKLOCRVNYFKXMP-GAJHUEQPSA-N 409.844 4.761 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)cc1OC)[C@@H](C2)C3=O 587441752 HKUJXTNPQPERJT-NBGIEHNGSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)CC2=O 587464988 DNHGGLJVPXDXRL-HRBBJJPOSA-N 417.452 4.882 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](C(=O)O)c1ccccc1)CC2=O 587470577 LMBWRBSAKYHLIT-FCHUYYIVSA-N 405.450 4.527 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](C1(c3ccccc3)CCC3(CC1)OCCO3)CC2=O 587483723 GDNRKPWTXSJNTA-HSZRJFAPSA-N 422.521 4.934 0 1 HJAF Cc1cc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2cc1Br 587496632 JEYSURXQQIFSJB-LJQANCHMSA-N 411.299 4.991 0 1 HJAF O=C1C[C@@H](c2cccc(I)c2O)Oc2c1ccc1c2CCCC1 587507839 SVPYCDHCKRKRBQ-KRWDZBQOSA-N 420.246 4.582 0 1 HJAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(=O)O 587514506 GNDKDFDSIFAKKA-RUZDIDTESA-N 403.478 4.794 0 1 HJAF C[C@@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532157 NQORLZKPMJESRD-BZQUYTCOSA-N 404.462 4.863 0 1 HJAF C[C@]1([C@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584185 XALGVGFFDPQHLB-RQADYFSKSA-N 415.489 4.635 0 1 HJAF COCCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597273 QMBGJHIRWGQTMG-XUZZJYLKSA-N 406.434 4.510 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2Br)N1 587684186 YMGCGNZIJFUQPU-JDNHERCYSA-N 414.116 4.543 0 1 HJAF CCn1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587759527 UMLUCNKPMZYXON-MPBGBICISA-N 402.311 4.756 0 1 HJAF Cc1nc2ccncc2cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587778647 NVBAGMWCBSUBSH-PRWKNARSSA-N 400.295 4.638 0 1 HJAF COC(=O)CCCC[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587808205 NSQJRNVFZKRZJD-QUJCMNEKSA-N 400.332 4.707 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCO3)N1 587833670 HIEIBEQUTOMUHG-ODXCJYRJSA-N 406.295 4.699 0 1 HJAF CCN(c1ccc(-c2csc(Cc3ccc(F)cc3Cl)n2)cc1)S(C)(=O)=O 587923521 UWXPYVRPUMBHNN-UHFFFAOYSA-N 424.950 4.979 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1c(F)ccc(C(F)(F)F)c1F)N(C)[C@H](C)C2 962642443 UUIIUMGTYBFTRS-GIGQVBGESA-N 401.375 4.967 0 1 HJAF Cc1nc(-c2ccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)s2)cs1 962729400 IEEUDGTZSCYNIV-CXAGYDPISA-N 408.470 4.915 0 1 HJAF Cc1oc2c(c1[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)CC(C)(C)C2 962765867 NTOAKDSMORSQQR-OYHNWAKOSA-N 419.443 4.652 0 1 HJAF C[C@]1(C(=O)NCCOc2ccc(C3CCCCC3)cc2)CO[C@@H](c2ccccc2)OC1 1857533866 URIXOPKBDSSAFD-OGLKEZPNSA-N 423.553 4.981 0 1 HJAF Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)n1 1857750341 CNBUIZFLKLVXDH-UHFFFAOYSA-N 403.438 4.655 0 1 HJAF CC(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61925710 OCUHUOANBBHAOT-HHHXNRCGSA-N 414.549 4.813 0 3 HJAF CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2Cc2ccccc2Cl)C1 13442800 QPMRKLHUNHOXTM-UHFFFAOYSA-N 404.963 4.882 0 1 HJAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1 13823657 VWESTCOYEIPZNC-UHFFFAOYSA-N 420.904 4.587 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 27556740 XBEXHWPCLKUYDD-LEJLCDCBSA-N 400.490 4.761 0 1 HJAF COc1ccc([C@@H]2[C@@H]([P@](=O)(O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27853205 YFEUXDWINPGEEB-DHIUTWEWSA-N 421.433 4.665 0 1 HJAF Cc1c(OCCCCOc2ccc(-n3cncn3)cc2)ccc(C(=O)CC(C)C)c1O 28345452 WTVQPHLJXYRMRY-UHFFFAOYSA-N 423.513 4.748 0 1 HJAF CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O 40421817 FXQSFQIZONFFQV-KOSHJBKYSA-N 419.521 4.705 0 1 HJAF Cc1ccc(S(=O)(=O)Cc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1 45319501 OYLACCYOQWJWNX-UHFFFAOYSA-N 407.470 4.795 0 1 HJAF Cc1ccc(C(C)(C)C)cc1Nc1nc(NCCc2ccncc2)nc2ncn(C)c12 49067714 CCZYUUVXXIEIKW-UHFFFAOYSA-N 415.545 4.762 0 1 HJAF CCOc1ccc(NCc2nc3cc(OC)ccc3[n+]([O-])c2-c2ccccc2)cc1 53243370 JENLDVRAJBTBMY-UHFFFAOYSA-N 401.466 4.555 0 1 HJAF O=C1OCC(Nc2ccc(Br)cc2)=C1c1cccc(Br)c1 72116918 AQMXVTQIMMTPKP-UHFFFAOYSA-N 409.077 4.592 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 82181897 MWZHORQVJOUMLI-QFIPXVFZSA-N 410.533 4.886 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3c(ccc4c3C=CC(C)(C)O4)C(=O)[C@H]2O)ccc1O 85956032 IOXLCTZITMJUKD-PKTZIBPZSA-N 406.478 4.762 0 1 HJAF endogenous,in-man COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3ccc(Cl)cc3F)ccc1O2 95575927 MZAQHZZELBJHGJ-JOCHJYFZSA-N 410.832 4.849 0 1 HJAF Cc1ccc(C(=O)OCCCc2cn(-c3ccnc4cc(Cl)ccc34)nn2)cc1 103270062 ABFZUPMVNJMDCB-UHFFFAOYSA-N 406.873 4.567 0 1 HJAF CCOC(=O)[C@@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)nc3)cnn12 115652497 YLLCNIUQXKBEEB-QHCPKHFHSA-N 420.900 4.508 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 146782826 KFZWDYQMBIYWFQ-FKHIRMOZSA-N 402.623 4.769 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 169714349 WPCJRHBBURTUND-YBEUTXPYSA-N 400.607 4.904 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@@H]1c2ccccc2N[C@H]1C3 261151484 OZDWUFRFWFSOQE-YAXXRDKCSA-N 416.565 4.667 0 1 HJAF CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 586978263 ZPUBFAZJMNJIKL-RMKNXTFCSA-N 415.287 4.610 0 1 HJAF Brc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 587042326 SBPWJWARFPBBOC-UHFFFAOYSA-N 408.346 4.778 0 1 HJAF C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc(Cl)cn1 587080310 UATWJFLCSYQCTC-LURJTMIESA-N 404.493 4.547 0 1 HJAF CCCCCOc1cc2nc([C@H](NC)c3cccnc3)[nH]c2cc1Br 587225344 VUUYBRPPRISKTR-GOSISDBHSA-N 403.324 4.598 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4cc(C(=O)O)ccc4F)cc1)[C@@H](C2)C3=O 587424913 XTUDIXSRYNUXPD-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597546 ZDFDEBTVCNCAPP-OMEAZFLUSA-N 422.477 4.648 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(C(F)(F)F)N1 587706760 RCTFVQFTAZVZHO-MGPLVRAMSA-N 403.217 4.518 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720838 VBLPEQJXFJIRKM-XYZCENFISA-N 416.237 4.822 0 1 HJAF Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738413 ABVZWUFANNQNJO-LKDZCHCLSA-N 403.339 4.750 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3)c2)N1 587763256 IMIKGUOPJITBMV-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H]3CCCC[C@H]3C)CC2)N1 587768235 LXPFBFQOVLZYQN-SXGZJXTBSA-N 409.387 4.992 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ncccn3)c2)N1 587775305 QORZYIWVLCQIFX-BLVKFPJESA-N 414.278 4.794 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587789217 BPBCDNOKCJAMCS-FIKIJFGZSA-N 417.322 4.616 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=CNCCC2)(c2ccccc2)N1 587790572 DKPANVXXLIEYII-LHSJRXKWSA-N 401.323 4.633 0 1 HJAF COc1ccccc1-c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)on1 587795511 OYXLDEMLAZBGMP-YBTHPKLGSA-N 417.278 4.875 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807161 JYJKKVSMHDTAHU-GTJPDFRWSA-N 420.322 4.720 0 1 HJAF CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807736 MYQGXBGVALJFHR-FKIZINRSSA-N 422.294 4.921 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2c(C)cccc2n1 587866254 HMUNGXCFZRFPDP-UHFFFAOYSA-N 414.387 4.612 0 1 HJAF COc1ccccc1CC(=O)c1nc2cc(Br)c(Br)cc2[nH]1 587929179 GTUWLGFIERAWNZ-UHFFFAOYSA-N 424.092 4.522 0 1 HJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1cccc(Br)c1 653781595 JISYXFLZIUIOHR-NRFANRHFSA-N 408.299 4.937 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](c3ccccc3)(c3ccsc3)N12 962628682 CTAVMGCBLLRLBQ-LOSJGSFVSA-N 414.530 4.687 0 1 HJAF Cc1ccsc1[C@]1(CCC(=O)O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701407 KCOJSDDFYQBZIW-VFNWGFHPSA-N 405.560 4.668 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](c1cc(F)c(Br)c(F)c1)NCC3 963045458 FVXYXLFHPMRLPH-GOSISDBHSA-N 405.242 4.519 0 1 HJAF CC(C)NC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 1772636437 PFELFOCPWCQJBE-SFHVURJKSA-N 404.283 4.857 0 1 HJAF Oc1ccc2c([C@H](O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2n1 1857555054 OLKAFTZNOGTZBI-XMMPIXPASA-N 414.505 4.569 0 1 HJAF CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1)c1ccc(F)c2ccccc12 1857606263 HGKWECAKFLBHFW-ROUUACIJSA-N 422.456 4.834 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)c1 1857751377 QWHZLBOZFJTPHN-UHFFFAOYSA-N 422.520 4.668 0 1 HJAF CCC=C(C)C(=O)O[C@H](C)[C@H](OC(=O)C(C)=CCC)c1cc(OC)c2c(c1)OCO2 2356661936 VNDVELGATHSJOM-UZLBHIALSA-N 418.486 4.653 0 1 HJAF O=C1C2=NCCNC(c3ccc(Cl)cc3)=C2[C@H](c2ccccc2)N1c1ccccc1 1437107 NBNGOQDENQTNHX-DEOSSOPVSA-N 413.908 4.883 0 1 HJAF O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc(Cl)c1 13580632 VCBSWJNDIGSNCL-UHFFFAOYSA-N 411.797 4.781 0 1 HJAF COc1cccc(-n2c(CCc3c[nH]c4ccc(C)cc34)nc3ccccc3c2=O)c1 13821525 WJTULEFMMDFPLV-UHFFFAOYSA-N 409.489 4.969 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2ccc(N3C[C@H](C)N[C@H](C)C3)cc2n2cncc12 13860329 AVSQBQCRBXKOCO-IYBDPMFKSA-N 420.948 4.775 0 1 HJAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(-c2ccccc2)s1 26668096 XPXPEJWAJBWEOC-UHFFFAOYSA-N 416.528 4.995 0 1 HJAF CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1 28221627 JCFOOWLXJHKGEH-UHFFFAOYSA-N 400.809 4.819 0 1 HJAF Cc1ccc(C(=O)Nc2cccnc2)cc1Nc1ncnc2c1cnn2-c1ccccc1 29050188 JHUCZZPPZZFPIN-UHFFFAOYSA-N 421.464 4.515 0 1 HJAF Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F 34802058 ZLZFWACGUPOOEK-OAQYLSRUSA-N 422.422 4.505 0 1 HJAF Clc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 35826820 MRTFOCATBDSENK-UHFFFAOYSA-N 405.687 4.980 0 1 HJAF Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CCCCC3)CC2)cc1 38268694 JTMUYOVETWILBX-UHFFFAOYSA-N 417.553 4.870 0 1 HJAF CNCCCCCCc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45190128 NOCMJQOHRYWNQA-DVECYGJZSA-N 403.010 4.917 0 1 HJAF O=S(=O)(Cc1ccccc1)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12 59243051 FCZMDDWDVXBQKL-DEOSSOPVSA-N 402.519 4.645 0 1 HJAF CN1CCC(Oc2ccc3cc(-c4ccc(OC(F)(F)F)cc4)c(=O)oc3c2)CC1 84655311 YEDWTLLWVUPXCO-UHFFFAOYSA-N 419.399 4.832 0 1 HJAF COc1cc(-c2cccc(=O)n2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 96929955 JEHPAQSSKZYCKN-UHFFFAOYSA-N 405.372 4.549 0 1 HJAF Cn1cc(NC(=O)c2ccc(F)cc2F)c(OCc2cccc(C(F)(F)F)c2)n1 103292101 CFWOEJUJFNPHIN-UHFFFAOYSA-N 411.330 4.548 0 1 HJAF CCCCOc1cc2nnnc(Nc3ccc(Br)c(F)c3)c2cc1OC 103295881 PNXCOCLQXDVTDL-UHFFFAOYSA-N 421.270 4.858 0 1 HJAF Cc1cnc2[nH]cc(Cc3cnc(NCc4cccnc4OC4CCCC4)nc3)c2c1 117410706 YCQPSLMXEFOESN-UHFFFAOYSA-N 414.513 4.581 0 1 HJAF CCOC(=O)c1cn(CC)c2cc(F)c(O[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2c1=O 169294329 UDJIVBMJRVKZIM-UHXKVLTISA-N 415.505 4.931 0 1 HJAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Br)ccc2S[C@H]31 220139746 PQPRASDUYZONRT-LJQANCHMSA-N 415.312 4.742 0 1 HJAF COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O 299832292 FTPRXFGKAYDBGZ-UHFFFAOYSA-N 400.438 4.648 0 1 HJAF O=[S@](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(c1ccccc1)c1ccccc1 586957719 AVSGPLMLMHNITD-SSEXGKCCSA-N 418.518 4.763 0 1 HJAF Cc1nc(COc2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cs1 587020003 BJYLGAQHEXXIRK-UHFFFAOYSA-N 405.458 4.899 0 1 HJAF COc1cc(OC)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 587033255 XWAZGVPOQPKMGW-UHFFFAOYSA-N 404.289 4.807 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cn1 587076439 SWJCBVSWYLXXCC-UHFFFAOYSA-N 414.725 4.513 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(Br)cc12 587548375 TYWILYBHYLETLK-KNQAVFIVSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1c1ccccc1 587584819 ASBGOIUCUPVKOV-LKFGIXIBSA-N 413.473 4.924 0 1 HJAF C[C@H](OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587591133 BHPVLSWQEZRWLE-AGSBLFPASA-N 418.445 4.807 0 1 HJAF CCOc1cc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587593490 DTORFOZMGGCMIJ-WIOPSUGQSA-N 420.461 4.850 0 1 HJAF O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4ccc(F)c(Cl)c34)cc2N1 587630323 YTQGHNWJHWVQAF-UHFFFAOYSA-N 412.726 4.541 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1 587739515 AEHCLVPKYIEKOV-DIFFPNOSSA-N 420.326 4.591 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2CCCCCC2)N1 587750520 UQYNJXQYZTZDIT-RNODOKPDSA-N 411.359 4.567 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587832098 YQVJLEFJOSUNPU-LHSJRXKWSA-N 420.322 4.929 0 1 HJAF CC[C@H](C)Sc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587839499 HJUAYLGOEUVJQT-PSVSLLHZSA-N 410.356 4.892 0 1 HJAF COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)cc(OC)c1OC(=O)OC(C)(C)C 962141134 BLIPNBBKSLRWKH-FQEVSTJZSA-N 417.477 4.700 0 1 HJAF O=C1Nc2cc(OC(F)(F)F)ccc2[C@@]12NCCc1cccc(-c3ccccc3)c12 962673444 YQTBGKLLQGUAFS-QFIPXVFZSA-N 410.395 4.594 0 1 HJAF COc1cc2nccc([C@H](OC(=O)C3CC3)c3ccc4ncccc4c3)c2cc1OC 1772606079 NRXQXRKXDUXHFU-XMMPIXPASA-N 414.461 4.843 0 1 HJAF CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2Cl)c2nncn32)C1 1772622523 GAFGEMZWJZIIPI-GFCCVEGCSA-N 412.946 4.899 0 1 HJAF COc1cc(OC2CCC2)cc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F 1772643663 SUNJVOYOIHKMKX-QGZVFWFLSA-N 400.446 4.991 0 1 HJAF Fc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1F 1857557580 ZXGDJEQNOANLLN-UHFFFAOYSA-N 408.290 4.797 0 1 HJAF Cc1nc2ccccc2c(-c2ccc3c(c2)OCCO3)c1[C@H](OC(C)(C)C)C(=O)O 1857771282 YRWZNNYUCITTEW-QFIPXVFZSA-N 407.466 4.922 0 1 HJAF CC(=O)N1C[C@@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1c1ccc(Cl)cc1 61920883 YUSIJZXXJHKHPC-IBGZPJMESA-N 423.822 4.506 0 3 HJAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 775139 MEKXVRJVKBLWNY-MRXNPFEDSA-N 404.441 4.802 0 1 HJAF O=C1CC[C@](CCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)(Cc2cccc3ccccc23)N1 12041997 UCHSPCCYICWROG-XAXKJMDRSA-N 418.581 4.850 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1 13612015 ADNKXTWILKFVPK-UHFFFAOYSA-N 417.353 4.974 0 1 HJAF C[C@@H](CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)c1ccccc1 20580980 WECRLGNJMMVICQ-NSHDSACASA-N 416.446 4.504 0 1 HJAF CC[C@@]1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccc(F)cc21 29052564 YJURYHIWIQYURK-DEOSSOPVSA-N 413.512 4.557 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 29489792 QHTULCIAIDWQKP-FQEVSTJZSA-N 406.507 4.719 0 1 HJAF O=C(CCN1CCCN(c2cnc3ccccc3n2)CC1)c1csc2ccccc12 71282417 PLUYBLULVPKJTP-UHFFFAOYSA-N 416.550 4.630 0 1 HJAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1 82185218 LRFKFENOMIFSMZ-UHFFFAOYSA-N 412.969 4.530 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5ccccc5c4)ccc31)[C@H]1CC[C@H](C2)N1 100632433 NSPYKRDDGBDZCC-DYESRHJHSA-N 402.519 4.514 0 1 HJAF Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2)cn1 114921875 FZEKAQLRLZKYRE-UHFFFAOYSA-N 416.382 4.878 0 1 HJAF CN1C[C@@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@@H]2CCCC[C@@H]21 169292912 GFRMFVSDSQREBC-FCEWJHQRSA-N 408.361 4.596 0 1 HJAF Fc1ccc(C2=CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112502 ITMJHLIDQMXDHA-RUZDIDTESA-N 413.612 4.950 0 1 HJAF CC(C)CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224767725 LDIQMQUDLQSCER-UHFFFAOYSA-N 424.501 4.829 0 1 HJAF CN1C(=O)CCc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc21 586988439 ROXSTSIUHCOHKK-UHFFFAOYSA-N 406.441 4.728 0 1 HJAF COC(=O)c1ccnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586998520 LTTMQDNFCZITLA-CLFYSBASSA-N 424.254 4.937 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015439 CZCNKHKRQKNIFX-UHFFFAOYSA-N 403.916 4.800 0 1 HJAF COc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2n1 587086824 MRVYJMFDHZRNKN-CLFYSBASSA-N 414.296 4.997 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1)c1cc(F)ccc1F 587140189 IAVSGFKKARHFTB-UHFFFAOYSA-N 421.375 4.587 0 1 HJAF CCS(=O)(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149907 OHEGOIPCIAWRNG-OAQYLSRUSA-N 409.486 4.697 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587241632 ZRZNJBIGSIBKAU-UHFFFAOYSA-N 420.538 4.966 0 1 HJAF Nc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc2n1 587253928 NPPMOHUUEXAMSR-UHFFFAOYSA-N 423.192 5.021 0 1 HJAF COC(=O)c1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587379345 XZQKFOPYHYXQBI-UGKGYDQZSA-N 412.438 4.654 0 1 HJAF CC1=C(Oc2ccccc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 587410056 VDXZZWPENLUFPX-RUZDIDTESA-N 415.445 4.846 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC)ccc(Br)c31)CC2=O 587458528 KNPFGNLTJXGDJB-OAQYLSRUSA-N 417.299 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(I)cc1)CC2=O 587473297 ZPMWGWDFUCBAHS-IBGZPJMESA-N 422.262 4.830 0 1 HJAF CC(C)=C1NCCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587598945 ZCYQBEMJIJBLEB-GJZUVCINSA-N 413.473 4.992 0 1 HJAF C[C@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620134 XPSQXDUVAZIQEF-VLIAUNLRSA-N 412.854 4.632 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(C(F)(F)F)N1 587706761 RCTFVQFTAZVZHO-QFYYESIMSA-N 403.217 4.518 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccnc3O)c2)N1 587767274 AGVXFVJHNWNYSK-YUNKPMOVSA-N 413.290 4.979 0 1 HJAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587799371 RZXNSJKWHTZFGG-WSXQUGQNSA-N 420.322 4.586 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802322 LDPVWZQFZRHBFH-YBTHPKLGSA-N 416.294 4.611 0 1 HJAF CC[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587805599 GKWRRLWZNJGSMT-MPBGBICISA-N 408.311 4.793 0 1 HJAF Nc1cccc(Br)c1-n1c(O)cc(-c2ccccc2Br)c1O 587935731 PVXROIGCQPORPU-UHFFFAOYSA-N 424.092 4.663 0 1 HJAF COc1ccc(-c2csc(-c3c(O)cn(-c4ccc(F)cc4)c3N)n2)cc1OC 957654220 PRUNYIUAPIXCNT-UHFFFAOYSA-N 411.458 4.712 0 1 HJAF COc1ccc(Cl)c([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963173979 AENYKCIPVGSLJG-CZUORRHYSA-N 420.214 4.709 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(Cl)c3)n3c2CCO[C@H](CF)C3)cc(C)n1 1772575644 LOSIBJWVNZTWKF-MRXNPFEDSA-N 403.860 4.932 0 1 HJAF N[C@H](COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 1857623833 AQDWLHMFJHACCX-IBGZPJMESA-N 404.901 4.731 0 1 HJAF CCN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)NCC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@@H]1C 2356619792 UHCFBQGPAUZDTC-DMGNNYPBSA-N 416.694 4.982 0 1 HJAF COc1c([C@@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O 14721435 YZWSXDKWBMBIFO-GOSISDBHSA-N 402.443 4.746 0 1 HJAF biogenic CC(C)c1csc(/C=C/c2cccc(NC(=O)Cc3ccccc3C(=O)O)n2)n1 27420827 KTJAGSUFKQTDLM-ZHACJKMWSA-N 407.495 4.711 0 1 HJAF CCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)c(OC)c(OC)c2)n1 40423044 OTDGITWDOGJMSM-UHFFFAOYSA-N 406.438 4.586 0 1 HJAF O[C@@H]1CCCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)C1 45210296 OFGCHWWYPRHOEG-JOCHJYFZSA-N 401.485 4.993 0 1 HJAF COc1cccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 58576766 MMNBLWWOPKBGPM-HGHGUNKESA-N 422.352 4.876 0 1 HJAF O=C(Oc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72102160 QLZGCBZCSBIMKD-JOCHJYFZSA-N 407.901 4.641 0 1 HJAF Cc1c(C(=O)c2cccc(Cl)c2Cl)c2ccsc2n1CCN1CCOCC1 72316219 OTKNCJDFSWXOIS-UHFFFAOYSA-N 423.365 4.881 0 1 HJAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(-c2ccccc2F)c1)O3 96269854 CUKJITWBNJEOLQ-MWTRTKDXSA-N 406.409 4.956 0 1 HJAF O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1cnc(-c2ccccc2)nc1 96903458 VGGDHNVDXNERQL-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@@H](C4)[C@H]3c3nc4ccccc4[nH]3)ccnc2N1 150305917 UDDWKWDIETXXHS-NLSFWIRASA-N 408.461 4.688 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(Cc4ccccn4)C3)cc12 226050750 XFIMUJPGGCCYBQ-INIZCTEOSA-N 402.473 4.762 0 1 HJAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(-c3cccnc3)cc2C)CC1 261094161 FAZYIPVDSLLNSX-IRJFHVNHSA-N 423.948 4.599 0 1 HJAF COC(=O)c1cc2[nH]c(-c3ccccc3C(=O)c3cc(C)ccc3C)nc2cc1OC 586882456 UHAZHOLISRZNPV-UHFFFAOYSA-N 414.461 4.873 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(Cc5sc(C)nc5C)[nH]c4c3)o2)cc1 587011269 FNWUILPTJJNSQU-UHFFFAOYSA-N 417.494 4.953 0 1 HJAF CC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027975 VHQJXFASBNBBIQ-YYWHXJBOSA-N 407.539 4.902 0 1 HJAF COC(=O)c1cccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587032139 RMCZMCDXPCCECZ-UHFFFAOYSA-N 402.273 4.576 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587126971 PPCFETRIASTCSJ-PELKAZGASA-N 414.229 4.805 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1 587131672 BDNXFKJWUCFTFW-JTQLQIEISA-N 409.330 4.690 0 1 HJAF O=C1c2ccc(O)cc2OC2([C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)[C@@H]1c1ccc(F)cc1 587356175 ZCSSEVRKKPPABU-WIFQEBCASA-N 422.452 4.540 0 1 HJAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccnc1 587436543 QOQMQNTZSIYLFN-CLOONOSVSA-N 417.461 4.557 0 1 HJAF C[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O 587504962 JVKJOMYEPQKKLH-MPBGBICISA-N 400.858 4.777 0 1 HJAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN(C)C 587567867 AJPRORKVACJPEK-RDGATRHJSA-N 419.477 4.555 0 1 HJAF CCOc1ccc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587593800 FAORGZIAPGIYLD-ZJSXRUAMSA-N 406.434 4.893 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1 587695474 BGTMNGGLOLUYRT-FVEXXERHSA-N 424.697 4.660 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2ccnc2)N1 587722535 SILGCKIEKGPMNG-MPBGBICISA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2F)N1 587725600 FEUDDSXZLGPKFX-NZFNHWASSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1 587729458 VOIGXYFYUNWGAU-MPBGBICISA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1 587736500 SEHOECCJGCHWDV-MEELVIRWSA-N 420.297 4.994 0 1 HJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587784806 JNVLORZABWWCIR-GHMZBOCLSA-N 407.214 4.547 0 1 HJAF COc1cccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587811629 WVHAZLAFKQLMTJ-YUNKPMOVSA-N 406.295 4.619 0 1 HJAF Cc1cccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587826850 JNLYSKJTFGYLQN-SPLOXXLWSA-N 420.322 4.929 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587835298 PBPFHSCKBWAKAR-MPBGBICISA-N 406.295 4.547 0 1 HJAF Cc1cc(Br)ccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873322 YXDUDEXGMOHIAB-UHFFFAOYSA-N 403.207 4.585 0 1 HJAF Cc1nc(C)c(CNc2nc(CCCOc3ccccn3)nc(Cl)c2C)s1 653797956 VXECAYIGMKDKPM-UHFFFAOYSA-N 403.939 4.530 0 1 HJAF CCCCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1 653857933 HJRRZRLNTWGICW-FQEVSTJZSA-N 407.518 4.879 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(F)c(F)c1Br 963259666 SKZZKSWBRXQPSR-KRWDZBQOSA-N 402.666 4.799 0 1 HJAF CC1CCN(c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)CC1 1857599407 UCESTHZNABGJRC-UHFFFAOYSA-N 409.578 4.711 0 1 HJAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1cccs1 1857601323 CBUUZEZSULWAIV-HNNXBMFYSA-N 407.417 4.881 0 1 HJAF Cc1cc(Cl)cc2c1N[C@@H](c1c[nH]nc1-c1ccccc1Br)NC2=O 1857745149 IHGOLOUGKMAADI-QGZVFWFLSA-N 417.694 4.655 0 1 HJAF CN(CCc1ccccc1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 12031674 KUGFSNFQNVVKBU-UHFFFAOYSA-N 404.388 4.587 0 3 HJAF Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccccc3C(=O)N12 61959433 BGQDJYBQJMRAFJ-MBPYSEENSA-N 424.500 4.695 0 3 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1CN1CCCC1 3782751 ATTHVGBIVYJECI-NRFANRHFSA-N 403.353 4.758 0 1 HJAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213244 LTGYIRYKKACOTF-NWVWQQAFSA-N 409.574 4.920 0 1 HJAF O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 14971573 XIDFWMRZYZJKKT-NRFANRHFSA-N 424.520 4.946 0 1 HJAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1S(=O)(=O)C2 26841403 CTVOUZCAVOYMDW-UHFFFAOYSA-N 419.433 4.693 0 1 HJAF O=C1C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27084175 MCYXRKKCRSMHOD-NSHDSACASA-N 407.775 4.824 0 1 HJAF CCCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 36503183 ADBORFUDEHAIIL-HSZRJFAPSA-N 412.530 4.607 0 1 HJAF biogenic Fc1ccc2cccc(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)c2c1 43194094 RWDCOKXPTKLVHK-UHFFFAOYSA-N 419.544 4.563 0 1 HJAF O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1 64512290 LJIUXGNZGDQMCU-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF CCN(CC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 82066977 JKPXDGOGKABXNT-HXUWFJFHSA-N 405.502 4.618 0 1 HJAF NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Br)c2)c1 95574242 HQTXGVAJNXABTR-UHFFFAOYSA-N 411.299 4.913 0 1 HJAF CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccsc4)cc3)cc2S1(=O)=O 95601850 NPIRNMJJVHZMRB-HNNXBMFYSA-N 419.549 4.511 0 1 HJAF Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175305 DGOIEPCGZNYRHM-KBXCAEBGSA-N 422.575 4.883 0 1 HJAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnnc3)cc2)cc1 96284088 QWBIFVYQZVMANV-UHFFFAOYSA-N 415.501 4.703 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC 104070911 RTHWOZAZESTDER-QFIPXVFZSA-N 411.498 4.998 0 1 HJAF O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116822807 ZFRXDRJCCIBUSF-IRXDYDNUSA-N 415.518 4.765 0 1 HJAF COc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143173718 JKAMBBDGLZFTHQ-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF C[C@@H]1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1ccc(F)c(Cl)c1Cl 226018735 KHHYHGDDNXIWSH-SNVBAGLBSA-N 423.250 4.612 0 1 HJAF C[C@H]1CN(c2ncccn2)C[C@H](C)N1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 299832453 LXJODPCGTFUTQX-IRXDYDNUSA-N 406.917 4.536 0 1 HJAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(OC)c(OC)cc4[nH]3)ccc12 586918481 MHEDQWWIJNTCBB-UHFFFAOYSA-N 408.454 4.608 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586960850 CTMAAKIESFUQDU-SSDOTTSWSA-N 419.226 4.867 0 1 HJAF COC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21 586992096 NAUHNUYXYRETFQ-QGZVFWFLSA-N 407.425 4.632 0 1 HJAF Cc1cc(Cl)ccc1OCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587067152 VUPCJKCOTVUWNA-UHFFFAOYSA-N 423.904 4.596 0 1 HJAF C[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1 587080746 YHDGSCSDMNGSAU-ZCFIWIBFSA-N 409.593 4.683 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1 587131981 YMKMDUSJCVZPRM-UHFFFAOYSA-N 421.241 4.994 0 1 HJAF Oc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587179050 PRGGRKXYROFNAK-UHFFFAOYSA-N 404.129 4.559 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587335075 NPLXRRWXAHBLMT-QPPBQGQZSA-N 418.399 4.696 0 1 HJAF COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587349654 IXIONHIYAAAGDZ-ILBGXUMGSA-N 422.452 4.909 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(O)c1OC 587350795 LLZUVJDBUYKFAQ-XUZZJYLKSA-N 424.424 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(Br)ccc31)CC2=O 587456749 AUZPSRJNNCKTFA-HXUWFJFHSA-N 403.272 4.750 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1OCC)CC2=O 587481604 QVDMSIMPCSGXAX-XMMPIXPASA-N 412.482 4.557 0 1 HJAF Cn1c(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557092 QCTSOVHWEBBACG-YLJYHZDGSA-N 403.356 4.627 0 1 HJAF COc1cc(C)c(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587590252 BFDCJMATORJIOJ-RDGATRHJSA-N 420.461 4.681 0 1 HJAF C[C@H](NC(=S)n1ncc2ccc(Cl)cc2c1=O)c1ccc(Cl)cc1Cl 587654258 JPUNLZQUCDBEJB-VIFPVBQESA-N 412.729 4.841 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N)N1 587676778 FSMKWXDRUDHSJA-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587690960 AJLOIUFSXHHYKE-YYSFKGJASA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(C(F)(F)F)N1 587711088 VUECDBHDDFYRPA-XXFAHNHDSA-N 403.217 4.511 0 1 HJAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587767880 ZCHWQWAHLRJQED-YEJXKQKISA-N 414.322 4.880 0 1 HJAF CCC(=O)N(C[C@H]1CCCCN1Cc1ccc2c(c1)CCC[C@H]2N)c1ccccc1 653768407 HHUFGVRUAGSDNE-ILBGXUMGSA-N 405.586 4.820 0 1 HJAF COc1ccc2c(c1)[C@](c1ccccc1)(c1ccc3oc(N)nc3c1)N(C(C)C)CC2 962085777 ATCJMHMQBRMKBW-SANMLTNESA-N 413.521 4.977 0 1 HJAF Cc1cccc([C@@]2(c3ccc(C(F)(F)F)cc3)c3ccsc3CCN2C(N)=O)n1 962717170 SYKOZDBHIPUJQX-HXUWFJFHSA-N 417.456 4.699 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccc(C(F)(F)F)cc2)(c2ccsc2)N1 962904272 VGSWVSSAGPQXGP-PXNSSMCTSA-N 421.415 4.797 0 1 HJAF CC(=O)O[C@H]1CCCc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc21 1772657472 WXDRCFOHKOBPSD-INIZCTEOSA-N 415.902 4.725 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@]2(C)[C@@H]1C 2356653539 GGMWMNYLFJKWII-RLGCFJBPSA-N 416.514 4.955 0 1 HJAF O=c1c(C(c2cccs2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 5835088 LRZNSPHQSNTJBS-UHFFFAOYSA-N 418.426 4.552 0 1 HJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3C)c2cccc(O)c2)cc1 26252699 KRJKWYYZMUDKJR-ZRZAMGCNSA-N 404.554 4.933 0 1 HJAF COc1ccc2nc(SCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1 29037223 QKVOWBOTBUOZJM-UHFFFAOYSA-N 404.495 4.698 0 1 HJAF CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)sc3=O)c(F)cc2s1 82149814 ZAMFNOSPEBEBCS-UHFFFAOYSA-N 413.521 4.589 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82160037 QWIKFFRYJDASLQ-SFHVURJKSA-N 418.541 4.787 0 1 HJAF CCCCCn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179542 BZNNZDGJNDXCCZ-UHFFFAOYSA-N 404.493 4.872 0 1 HJAF O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccn1 100082333 NJISHQWUFSGDBB-GQUJEBGOSA-N 404.469 4.505 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3CCC2CCCCC2)c1=O 143927905 MATRRNPAYZUTQS-PMOLBWCYSA-N 423.557 4.623 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@H]2CC[C@H](CO)C2)cc1)c1nc2ccccc2[nH]1 144106174 PBAYSSFAKIJKMQ-WMZOPIPTSA-N 413.477 4.857 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)cc2[nH]1 586935113 FSBIUWPOQRCMFB-MRXNPFEDSA-N 423.991 4.606 0 1 HJAF Cc1ccc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12 586954844 JDYXMRPBBJFNBI-UHFFFAOYSA-N 411.571 4.871 0 1 HJAF COc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 586995877 JVKXRLCUZYHYHB-UHFFFAOYSA-N 408.457 4.944 0 1 HJAF Fc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1Br 587007182 NNGVFMTYZKGVJZ-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(OC)c3[nH]2)c1 587050582 PMHCDDBZHVEVDL-KHPPLWFESA-N 412.877 4.615 0 1 HJAF CCOC(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1 587062928 COFHFSUBICDQIG-UHFFFAOYSA-N 411.845 4.935 0 1 HJAF O=C1COc2cc3nc(-c4ccc(COc5ccccc5Cl)cc4)[nH]c3cc2N1 587063222 ISMGMIVQQFJDAZ-UHFFFAOYSA-N 405.841 4.793 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587233014 FRHQYSKKLXHCTQ-WCBMZHEXSA-N 416.266 4.764 0 1 HJAF COCCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352765 XKPQEIOVNLFWDT-NOZRDPDXSA-N 422.452 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Nc2ccccc21 587488230 YWWRNIRMJLBFJU-OZXSUGGESA-N 413.473 4.941 0 1 HJAF CN(C)/C=C(\c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550272 WIFAUVJFWTUITR-SWAXBTAQSA-N 421.880 4.979 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3cc4ccccc4o3)c(C(=O)C(F)(F)F)c2c1 587649639 RPIZZEZOEJMHKT-UHFFFAOYSA-N 407.369 4.730 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCCCN2)N1 587796646 QVQDNFRHLPSKIW-CFCCAZDESA-N 403.339 4.508 0 1 HJAF Cc1cnc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856228 WWWRELNGIKYLDH-QGHHPUGFSA-N 406.324 4.767 0 1 HJAF COc1ccc(C[C@@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC 587926124 ILGQVPDAZGRXTM-SECBINFHSA-N 410.699 4.737 0 1 HJAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2c1 587928851 NXQRULWBTPVNKU-UHFFFAOYSA-N 422.506 4.708 0 1 HJAF C[C@@H](Nc1ncnc2sc(-c3cccc(S(C)(=O)=O)c3)cc12)c1ccccc1 653701022 FBRWDQZMCIXXBH-CQSZACIVSA-N 409.536 4.935 0 1 HJAF CCn1cc(Cl)c([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n1 961784331 MRSHHCPVUZSFHQ-HXUWFJFHSA-N 416.953 4.797 0 1 HJAF COc1ccccc1-c1ncc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962772066 VFGAEUZGURCOJO-QAPCUYQASA-N 418.440 4.554 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(C)CC(=O)c1cc(Cl)ccc1O 963288466 BODWTEPBSXWINX-IBGZPJMESA-N 408.723 4.784 0 1 HJAF CCCC[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(c2ccc(OC)c(O)c2)=NO1 1772573476 MYLSNNPFVHSWFN-HSZRJFAPSA-N 415.486 4.637 0 1 HJAF COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@@H]1C(C)C 2356320510 OBIQXIRRHQDAIV-CMKODMSKSA-N 401.526 4.509 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356344592 CESZWWHNRSDDNY-KGSLCBSSSA-N 416.599 4.796 0 1 HJAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]cc4c3[C@@H]2C[C@@H](C)CCC4)ccc1O 2356437218 LNMJLWPACMNBRF-ZLGUVYLKSA-N 421.537 4.979 0 1 HJAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@H]1CCCCC(=O)CCc3ccc([nH]3)[C@@H]12 2356790987 GGQNIRCZPXJUJM-DXNGDERMSA-N 421.541 4.657 0 1 HJAF C[C@@]1(C(=O)NC2CCCCCC2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61927150 ITXBITITJZXTOH-SANMLTNESA-N 404.554 4.726 0 3 HJAF CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 756217 NOMAHSYVCXGTLE-QHCPKHFHSA-N 420.553 4.964 0 1 HJAF COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 3832244 ULUNCQWGUQFHNV-UHFFFAOYSA-N 411.465 4.852 0 1 HJAF Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCN3CCCC3)c2n1 7991826 URKOUQOAIQKDJF-UHFFFAOYSA-N 404.562 4.642 0 1 HJAF Cc1ccc2nc(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)[nH]c2c1C 23361005 FKLHKZSFHAZKBD-UHFFFAOYSA-N 412.965 4.516 0 1 HJAF CC(C)=CCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26389404 ARFKGVOKWYFPPS-UHFFFAOYSA-N 406.404 4.845 0 1 HJAF Cn1c(=O)c(-c2c(Cl)cc(N)cc2Cl)cc2cnc(Nc3ccccc3)nc21 28331702 YRCDZRSBNRQXHE-UHFFFAOYSA-N 412.280 4.628 0 1 HJAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2cccc(C)c2)c1 29038777 LQNZWCZKGGLCTH-UHFFFAOYSA-N 402.566 4.562 0 1 HJAF COc1cc(/C=C2\C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc32)ccc1O 53229066 NTSXHDMMMKWCDJ-WQRHYEAKSA-N 401.422 4.538 0 1 HJAF Cc1cc(C(N)=O)nn1-c1cccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1 58590692 YFDSXQBECWIDKY-UHFFFAOYSA-N 413.321 4.984 0 1 HJAF OCCc1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl 66075120 KHPIYDUAVQCNGP-UHFFFAOYSA-N 403.309 4.580 0 1 HJAF COc1cc(-c2cn(Cc3cccc(C(F)(F)F)c3)nn2)ccc1-n1cnc(C)c1 72113644 SIFVEUGWQVWPGG-UHFFFAOYSA-N 413.403 4.515 0 1 HJAF CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72135651 AMMUGGRFIMMQNM-MANOSTPQSA-N 416.650 4.971 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCC2CC2)nc1-c1ccco1 82142793 RQXFJPYBZVQEKT-UHFFFAOYSA-N 416.403 4.507 0 1 HJAF N=C1N[C@](c2ccccc2)(c2cccc(-c3cccnc3)c2)C(=O)N1C1CCCCC1 103243675 BBOMNCJNDYMIAI-AREMUKBSSA-N 410.521 4.691 0 1 HJAF COc1cccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1OC 166237470 MWMGOMMAVPBXHH-UHFFFAOYSA-N 417.465 4.504 0 1 HJAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3ccccc23)cc1 225936928 RHYYOYBQXDJFCD-XNTDXEJSSA-N 414.486 4.720 0 1 HJAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C 238748038 CSSGXDLJYUSHNP-YANHUGDBSA-N 416.558 4.748 0 1 HJAF CC1=C(CCC2=CC[C@H](O)C3=CC(=O)O[C@H]3O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 238777208 IOVKTBXSZVGHQM-ASQXHETCSA-N 416.558 4.545 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)cc(C)c2[nH]1 586979490 DIYRRFABYQDSGA-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF COC(=O)c1oc2c(c1C)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586992865 ZDTYWXCCAWTCHP-UHFFFAOYSA-N 411.413 4.605 0 1 HJAF Cc1cc(-c2nc3cc(CO)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061553 NFILRXNZDJSGDP-UHFFFAOYSA-N 417.900 4.785 0 1 HJAF Cc1ccc2c(ccc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c32)n1 587198870 UGCVZWTUTYAQKS-UHFFFAOYSA-N 407.477 4.945 0 1 HJAF O=C1COc2c(-c3cc4c5c(cccc5n3)CC4)ccc(OCc3ccccc3)c2N1 587211284 DALFCLOWRVHBFH-UHFFFAOYSA-N 408.457 4.910 0 1 HJAF Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 587342582 OJMFVKCDPOAXNV-URXFXBBRSA-N 402.425 4.692 0 1 HJAF CCCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587350093 RBVQMFRMQSWKPO-WIOPSUGQSA-N 417.436 4.690 0 1 HJAF COCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352764 XKPQEIOVNLFWDT-ILBGXUMGSA-N 422.452 4.831 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(F)cc4)c1)[C@@H](C2)C3=O 587428474 NEISSEHRSHAJQD-UQBPGWFLSA-N 420.436 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccccc14)[C@@H](C2)C3=O 587432624 XOEPEUBFBSUYHZ-KSFYIVLOSA-N 405.450 4.922 0 1 HJAF CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587523653 OCAFJYDOJOPVAD-SANMLTNESA-N 420.505 4.565 0 1 HJAF NCCNc1ccc(N2C(=O)CN=C(C3CCCCC3)c3ccc(Cl)cc32)cc1 1857582447 QPGNUPGTGBOULS-UHFFFAOYSA-N 410.949 4.758 0 1 HJAF CCCCCC=CCC=CCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O 2356683101 HDRFYISWHFCNJB-HXUWFJFHSA-N 408.583 4.635 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@H]1O 2356761074 HJPCXYKWUOGDSW-GNXKAVGDSA-N 414.583 4.572 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@H]32)C1 4023388 VJGLIYQCQCELBZ-PUNHBPBZSA-N 411.380 4.903 0 1 HJAF biogenic COc1ccc(-c2cc(NC(=O)[C@H]3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC 13493273 WTKKPCSHTSTRTE-SFHVURJKSA-N 413.477 4.601 0 1 HJAF CCC[C@H](c1ccccc1N1CCCCC1)N(C)C(=O)Cc1ccc(C(=O)O)cc1 27562590 FUZDAFJEXALJNR-JOCHJYFZSA-N 408.542 4.917 0 1 HJAF COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1 29135572 NDSLVUAKDPZOID-UHFFFAOYSA-N 404.558 4.648 0 1 HJAF O=c1c2sc3nccc(NC4CC4)c3c2ccn1-c1ccc(Br)cc1 35284752 AIKMKUBZPSFYFF-UHFFFAOYSA-N 412.312 4.937 0 1 HJAF COc1ccc([C@@H]2/C=C/CN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1 36388491 PGTWOWLVWXUBPP-OCVYDVGESA-N 420.484 4.569 0 1 HJAF COc1ccc(NC(=O)[C@H](CC(C)C)Nc2ccnc(Nc3ccccc3)n2)cc1 45229265 LMCNZGUCTLCZEB-FQEVSTJZSA-N 405.502 4.694 0 1 HJAF C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@@H](C)CC(=O)O 49087801 FYWCTUYAFXXJQJ-CVUGZRRRSA-N 405.535 4.574 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1)c1ccccc1 82188433 NYDQVUGTZXKAIO-WMZOPIPTSA-N 419.554 4.949 0 1 HJAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCCc4ccc(-c5ccccc5)o4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84671592 KHGOMJMMQNGHLI-LAJAEHJSSA-N 416.517 4.955 0 1 HJAF COc1ccc(OC)c(/C=C2\C=C(Cc3ccc(Br)cc3)C(=O)O2)c1 103175023 ILVKHKPTKJDOMI-WOJGMQOQSA-N 401.256 4.533 0 1 HJAF O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1cccc(F)c1 116763359 KAXJGFOJBAKLNX-UHFFFAOYSA-N 401.235 4.815 0 1 HJAF Clc1cccc(N2CCN(CCCCOc3ccc4ccnn4c3)CC2)c1Cl 150174261 OUJRMAKUNWMZPB-UHFFFAOYSA-N 419.356 4.622 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713521 GZGRNURZGJTHEM-RQQHLKTHSA-N 402.623 4.725 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 586885903 OFLACJVPNGNWCN-PIGZYNQJSA-N 419.120 4.854 0 1 HJAF CC[C@H]1OCCC[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586914893 ZGHNKWXSIPJTPO-YLJYHZDGSA-N 404.470 4.961 0 1 HJAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1)N1CCC1 586956031 RBNSXBOCCGONEG-UHFFFAOYSA-N 416.717 4.585 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(N5CCNC5=O)cc4)nc13)-c1ccccc1C2=O 587098756 VZECCNMHURVQDN-UHFFFAOYSA-N 405.457 4.951 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137728 IKNYPNBDKJXTNN-UHFFFAOYSA-N 417.687 4.579 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)CCCC3 587181024 LMFOQMRLMVGPCX-LLVKDONJSA-N 420.298 4.881 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)c1ccccc1 587222514 ZRSGQVXRJQPQPL-GOSISDBHSA-N 406.283 4.845 0 1 HJAF Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Cl 587331912 QDGGYAXFPHUUTD-UGKGYDQZSA-N 414.864 4.816 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(N)ccc2-c2ccc(Br)cc21 587374863 ZOMWKQKYRNWVQV-JOCHJYFZSA-N 421.294 4.811 0 1 HJAF Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510631 MIAUWRPJWYNCSI-MHZLTWQESA-N 409.485 4.909 0 1 HJAF CC(=O)c1cccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587569512 QNGSBEQSZOONFP-CTNGQTDRSA-N 406.409 4.697 0 1 HJAF CCn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587574789 CDAAIFLFMNOUCD-GBXCKJPGSA-N 400.434 4.639 0 1 HJAF Cc1cccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587605400 ZLDYKGWVEJPMKW-RCZVLFRGSA-N 418.445 4.813 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1 587702625 FDAMKWYMFJKFQJ-BCTVWOGZSA-N 421.207 4.650 0 1 HJAF COC[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587723580 BPTNAPMHVWAWIJ-XTZNXHDOSA-N 416.693 4.805 0 1 HJAF Cc1noc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587789911 AUTBMWGEUKMLMS-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF Cc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587831189 WJPRJKDFEGNZMY-QKKBWIMNSA-N 420.322 4.929 0 1 HJAF COc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587831239 HOKUJANASRRYJU-QKVFXAPYSA-N 420.322 4.936 0 1 HJAF CC(=O)c1ccc2c(c1)[C@](C)(c1ccccc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618061 DXBDUSCVPSAVOI-OFVILXPXSA-N 423.509 4.708 0 1 HJAF CCCc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3nc4ccccn4c32)cc1 962990709 SUGQIBKHTZUOIO-DEOSSOPVSA-N 402.929 4.773 0 1 HJAF c1cc(NC2CCNCC2)cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)c1 1772624098 QPRXBCGQCAEWFW-UHFFFAOYSA-N 420.557 4.523 0 1 HJAF N[C@@H](Cc1ccccc1)CN(CCc1c[nH]c2ccccc12)C(=O)/C=C/c1ccccc1 1857537106 NKLPDXRWDMMXGN-DACFSCGWSA-N 423.560 4.822 0 1 HJAF CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]21C 2356631364 ZSHVSBCOLVBOLB-AGILITTLSA-N 400.515 4.869 0 1 HJAF COc1ccc([C@H]2CC[C@H](OCCCn3c(C)nc4cnccc43)O2)cc1Cl 11687443 DZJWQOQLLYRSPY-TZIWHRDSSA-N 401.894 4.686 0 1 HJAF C/C(=C\c1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 28825965 QAXDSQCFOWMWDM-XDJHFCHBSA-N 405.542 4.938 0 1 HJAF CN(C)CCN1C(=O)c2cccc3cc(-c4ccc(C(F)(F)F)cc4)cc(c23)C1=O 66100150 AGSBTMBSGAOYGL-UHFFFAOYSA-N 412.411 4.683 0 1 HJAF CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1 72141315 JCHCBYNIHUTWIB-HSZRJFAPSA-N 416.569 4.813 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)C1 82140803 NOYJAGRMGDWNMM-RDGPPVDQSA-N 424.564 4.883 0 1 HJAF CC(=O)c1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2c1 95579441 NWLDFZJTZKGFEP-UHFFFAOYSA-N 400.459 4.982 0 1 HJAF Cc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCC[C@@H]1c1cccnc1 95586851 ZJRNPKXWYGUCBR-QGZVFWFLSA-N 412.440 4.561 0 1 HJAF O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccccc1 101132308 CTTZSRMQXNNSPG-QHCPKHFHSA-N 423.299 4.806 0 1 HJAF CC1=N[C@]2(C[C@H]([C@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 166747068 MWVBEWBNSOHPSD-AMHTUMDSSA-N 409.917 4.569 0 1 HJAF CCOC(=O)[C@H](C)OCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 299827301 GDDUJUFLJKMFCK-SHUWCMERSA-N 422.610 4.563 0 1 HJAF C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cnc(N6CCCC6)nc5)cc4)[nH]c3c2)=N1 299838149 LNIMDQHTQVZXNC-QGZVFWFLSA-N 422.536 4.630 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc4c3OCC4(C)C)nc2c1 586912473 SUWNSYJMSXRPIR-UHFFFAOYSA-N 415.287 4.839 0 1 HJAF Brc1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc2c1OCCO2 586999752 BJONFWZNKIHHDT-UTCJRWHESA-N 408.255 4.815 0 1 HJAF O=C(CSCc1nc2ccnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114730 XUIIPCAVBMBQSK-UHFFFAOYSA-N 400.813 4.502 0 1 HJAF COCOc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345946 AGMWZSVYRJQDGL-VWNXMTODSA-N 408.425 4.788 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1cccc(F)c1)[C@@H](C2)C3=O 587429456 UPBOJAQGJAELIB-CYFREDJKSA-N 420.436 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3cccc(Cl)c3)c1C)CC2=O 587461475 KIFWOYXCZMAIHV-JOCHJYFZSA-N 411.889 4.768 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCCCC(=O)O)(c1ccc(F)cc1)CC2=O 587466489 LMHUATMTDACTQI-QHCPKHFHSA-N 400.446 4.990 0 1 HJAF 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4.871 0 1 HJAF C[C@@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342351 DKWYSYHRMBILAU-NOZRDPDXSA-N 417.436 4.542 0 1 HJAF COc1cccc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)on2)c1 587586900 LNEBTZATODQLKG-ZJSXRUAMSA-N 415.401 4.759 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(Cl)c2ccccc12 587655458 HWYWZCCQZHDSTB-UHFFFAOYSA-N 420.806 4.928 0 1 HJAF Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587676255 DMDOHNJHBVPMCD-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccc2Br)N1 587684185 YMGCGNZIJFUQPU-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF COc1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1 587754415 DLDXDDKHLBIQRX-BIBXISHDSA-N 403.295 4.712 0 1 HJAF CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C 587769932 PAWSQZGQSQFXOR-SBKAZYGRSA-N 405.311 4.600 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799367 RZCXRHIKZNNEJZ-YPENRWOSSA-N 420.322 4.565 0 1 HJAF COc1cc(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O 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Cc1ccc(S(=O)(=O)n2cc([C@@H]3CN=C(C4CCCCC4)N3)c3ccccc32)cc1 1857592923 KKQFKCJSCMWRET-QFIPXVFZSA-N 421.566 4.810 0 1 HJAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)c4ccccc43)c(Cl)c2)n1 1857754649 VEFAAARTOXGZIC-OAQYLSRUSA-N 408.933 4.877 0 1 HJAF Cc1ccc(C)c(OCc2cc(C(=O)N3CCN(c4ccccc4C)C[C@@H]3C)no2)c1 12320762 QRUQXWUKQCCXQG-FQEVSTJZSA-N 419.525 4.530 0 3 HJAF O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055977 IKRDPUBJRXEAHA-GMAHTHKFSA-N 420.896 4.627 0 1 HJAF CC1(C)C=Cc2c(c3c(c4c2O[C@@H](c2ccccc2)[C@@H](O)C4=O)OC(C)(C)C=C3)O1 13462591 ZZNMWGVMOBOREI-PMACEKPBSA-N 404.462 4.732 0 1 HJAF biogenic COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(n1ccc4cc(F)ccc41)C3)CO2 27560374 JNQGARYQOOKJCC-DYXWJJEUSA-N 420.484 4.707 0 1 HJAF COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1 29135228 LTAWZNAXYRQBIM-UHFFFAOYSA-N 404.558 4.566 0 1 HJAF CCCNC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1 38268517 XQBNJCIXEUWCLY-UHFFFAOYSA-N 410.521 4.987 0 1 HJAF Cc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc1NC(=O)CC(C)C 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CCCCSc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(Cl)cc2s1 103195222 UGPPDXIBZIPNOD-UHFFFAOYSA-N 404.895 4.893 0 1 HJAF CCN(CC)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 103200756 SEFZARPLTSYSGI-UHFFFAOYSA-N 413.877 4.880 0 1 HJAF CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccc(OC)cc2OC)c1C 103208459 JFQJKOGBWJXIQK-UHFFFAOYSA-N 400.862 4.695 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C=CCCCCC2)c1=O 114764295 KOAWAGCCRWSOLU-ZRNYENFQSA-N 421.541 4.542 0 1 HJAF COc1cc(OCc2ccccc2)c2nc(-c3cn4nc(SC)sc4n3)oc2c1 205904940 AYIWNIZQFUMBCE-UHFFFAOYSA-N 424.507 4.909 0 1 HJAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(N2CCC(C)CC2)nc2ccc(OC)cc12 299867549 YGBNBIHDHMIRMG-DLJTVJQZSA-N 423.601 4.634 0 1 HJAF CC[C@@H](c1nc2cc(Cl)cc(C)c2[nH]1)n1cc(I)c(C)n1 587185831 OXYZOTFJYOVYPF-ZDUSSCGKSA-N 414.678 4.634 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)cc1Cl)CC2=O 587463115 UFKPFFXAKHXLPA-JOCHJYFZSA-N 418.873 4.732 0 1 HJAF CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522252 DYQQBXWYULVXTK-VWLOTQADSA-N 403.478 4.779 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c(F)c1 587552611 AGDLCAFROSETII-URXFXBBRSA-N 405.425 4.834 0 1 HJAF COC[C@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566734 APLDLSTZEYRHQC-PGRDOPGGSA-N 414.816 4.688 0 1 HJAF CCOC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610908 HLWADYJPLAIJJO-NZQKXSOJSA-N 424.474 4.654 0 1 HJAF Cc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCOCC1 587623729 NDKWGSQHAFVPMW-UHFFFAOYSA-N 411.303 4.619 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(CC(F)(F)F)s2)N1 587709025 HJJLSHYXYRJVNQ-NXSYQRQQSA-N 409.246 4.773 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C(=O)C(F)(F)F)N1 587710379 RZBRZLSYSGAOBD-SEFYAATASA-N 408.233 4.639 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncnc(Cl)c3s2)N1 587854064 BHJVXWCZTZNGNR-UOWDBTKRSA-N 412.715 4.870 0 1 HJAF CC1(C)CCC(Cc2nc3c(I)cnc(Cl)c3[nH]2)CC1 587963681 QISZHRRNIIXTNH-UHFFFAOYSA-N 403.695 4.975 0 1 HJAF C[C@@]1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21 653871765 VSHONSLXSFZVIG-QZTJIDSGSA-N 419.365 4.829 0 1 HJAF Cc1oc2c(c1[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)CC(C)(C)C2 962765866 NTOAKDSMORSQQR-NYHFZMIOSA-N 419.443 4.652 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 963257388 JKVRCDJUNWGVCA-HJPURHCSSA-N 420.981 4.889 0 1 HJAF CCOc1cc([C@@H]2NCCc3cccc(Cl)c32)cc(Br)c1OC(C)=O 963390226 HANAKTNSDDKTPS-SFHVURJKSA-N 424.722 4.662 0 1 HJAF CCOC(=O)[C@@H]1CCCC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832287 NEXQHQICJGIWNR-NVQXNPDNSA-N 418.537 4.841 0 1 HJAF NC(=O)[C@H]1C[C@H]1c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772652068 KUYJVLRNBSCRQU-IRXDYDNUSA-N 413.403 4.571 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 4055611 ADSAZXYKWXAYQI-FYYLOGMGSA-N 422.912 4.738 0 1 HJAF CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)cc1 13607593 DFFMMBXYEZXXOU-FQEVSTJZSA-N 411.571 4.729 0 1 HJAF COc1ccc(NS(C)(=O)=O)c(C)c1N(Cc1ccccc1)Cc1ccccc1 26279259 FHVMDLHQUHFDCL-UHFFFAOYSA-N 410.539 4.582 0 1 HJAF COc1ccc(C2=NN(CCCOc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26571820 TVGJNNOUNWXDCO-NHCUHLMSSA-N 422.525 4.526 0 1 HJAF O=C1CSc2ccccc2N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 29560061 JSPVAYAOSGJUAY-UHFFFAOYSA-N 423.557 4.700 0 1 HJAF CN1CCN(c2ccc(Nc3ccnc4ccc(-c5cccc(N)c5)cc34)cc2)CC1 58538191 GLUOXTMCSMWSRM-UHFFFAOYSA-N 409.537 4.979 0 1 HJAF CCC[C@H]1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95552103 WSDCRTUTUJAMKG-BVJYIKDUSA-N 420.553 4.742 0 1 HJAF OC[C@@H]1Nc2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1 95878531 KHZFHAVWRUEQAM-IEZKXTBUSA-N 406.476 4.981 0 1 HJAF Cc1c(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C 113656585 SIIXQCPGTUWGJH-UHFFFAOYSA-N 410.521 4.722 0 1 HJAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2ccn3CC(C)C)nc1 142240191 IDKMCRWDGBFRJO-UHFFFAOYSA-N 413.525 4.696 0 1 HJAF CCN(CC)c1ccc(C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1 169351851 ORHJSTDFQPAEPT-UHFFFAOYSA-N 403.448 4.936 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(OCCO)c2)cc(-c2ccc3ncsc3c2)n1 205826136 RMUJFQINJSRSPI-AWEZNQCLSA-N 406.511 4.606 0 1 HJAF COc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 261096471 FMEUWASIYBNIKU-BLTAGBQOSA-N 422.569 4.547 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299886328 WZWCXOCRBVUFLQ-YFXJRYMSSA-N 401.595 4.890 0 1 HJAF OCC12CCC(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)(CC1)CC2 586895707 VESKRGSQCGKROR-UHFFFAOYSA-N 419.241 4.808 0 1 HJAF Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F 586962224 VZVGTJSHZTYDEB-RVHYNSKXSA-N 413.518 4.705 0 1 HJAF CC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O 586991052 QOIBVYXMCATNSZ-JOCHJYFZSA-N 423.424 4.571 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@H]2CCCC[C@H]21 587028167 WGZQNQGAKHDWLO-XYPHTWIQSA-N 400.935 4.748 0 1 HJAF Clc1cnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1Cl 587029445 ORTXVHVVMUCQMA-UHFFFAOYSA-N 401.282 4.786 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587035417 WHNAOYDITCRUNN-LLVKDONJSA-N 419.432 4.809 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1cccc(Cl)c1 587070235 FYFUFUZZFJAUIG-HNNXBMFYSA-N 411.893 4.901 0 1 HJAF COc1cccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587131108 XWTITIKGCRYMBN-UHFFFAOYSA-N 421.407 4.789 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)CCCC3 587181025 LMFOQMRLMVGPCX-NSHDSACASA-N 420.298 4.881 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2cccc(I)c2[nH]1 587228792 HIPQYQKPGPGVBL-UHFFFAOYSA-N 421.282 4.529 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)cc1O 587345891 ACIYKLNHAVCKGQ-ISKFKSNPSA-N 424.424 4.528 0 1 HJAF COc1ccc2c(c1)C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354875 VZKJLYQOJHGTGX-UKILVPOCSA-N 404.437 4.827 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)O2 587406089 FMCGSTYIFBJQTI-PUAOIOHZSA-N 401.462 4.674 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O 587446819 GIDRCAQODGKGLH-QTLGCAHFSA-N 406.478 4.558 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1csc(NC(=O)OC(C)(C)C)n1)CC2=O 587493311 DRBGIAALQJCHFD-MRXNPFEDSA-N 404.488 4.855 0 1 HJAF Cn1c(N)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cnc1=S 587532007 KHDXJFRELUNVIB-DEOSSOPVSA-N 417.534 4.520 0 1 HJAF Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 587573426 BUOVPVJBZSAAAW-JYFHCDHNSA-N 407.425 4.860 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581914 JRGMFAHBZKCICE-LZECLLPCSA-N 415.489 4.635 0 1 HJAF COc1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599798 HMPZXIOHYYDCQG-WIOPSUGQSA-N 402.446 4.984 0 1 HJAF Cc1ccnc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 587626174 QFGKBHPEVYHJHE-UHFFFAOYSA-N 402.298 4.865 0 1 HJAF Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587658279 JRRQRJSTOFWORL-INIZCTEOSA-N 402.425 4.619 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2F)N1 587725598 FEUDDSXZLGPKFX-KWKYVRJSSA-N 418.079 4.508 0 1 HJAF Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779765 VUSIVLBUKQOSLH-WLRWDXFRSA-N 401.279 4.774 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587795538 YDCUQSAFRZQUTJ-DQPNGWRMSA-N 411.315 4.639 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587799953 VGVKHPHJEKCAJO-OEPMTFCVSA-N 406.295 4.510 0 1 HJAF COc1cc(C)c(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805540 GHYJFGFJPGVEHH-ZSEKCTLFSA-N 422.338 4.906 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1 587837013 CWDJVFGXJZCCJU-FKANQGBASA-N 422.294 4.534 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cccs2)N1 587851777 JMYHPFHABVYRTM-BUXKBTBVSA-N 403.320 4.871 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 587868447 LMCKLDUQKCCDFU-HZPDHXFCSA-N 401.388 4.725 0 1 HJAF COc1ccc(F)cc1[C@]1(CCC(=O)O)NCCc2cccc(-c3ccccc3)c21 962668740 XQJZRFUFZWJNPN-VWLOTQADSA-N 405.469 4.755 0 1 HJAF COc1ccc([C@H]2NCCc3c(C)ccnc32)cc1COc1ccc2c(c1)CCC2 963078930 ZUJLTFGTYGQJDK-RUZDIDTESA-N 400.522 4.701 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)OC)c1c(Cl)cccc1OC 963244369 WIVZQDNNNOVSFA-WAIKUNEKSA-N 401.934 4.812 0 1 HJAF O=C(NCc1ccccc1)c1cccc(NCc2csc(-c3ccncc3)n2)c1 1772607425 JYIQDDWOZUMLLE-UHFFFAOYSA-N 400.507 4.747 0 1 HJAF Cc1ccc(NC(=O)C[C@H](CCO)c2nnc(CCCC(C)C)n2C2CC2)c(C)c1 1857575649 JNGZDUVXOISEOK-IBGZPJMESA-N 412.578 4.703 0 1 HJAF COc1cc2c(cc1-c1coc3c(CC=C(C)C)c(OC)c(OC)cc3c1=O)OCO2 1857757642 CNYQLTUBULQRRO-UHFFFAOYSA-N 424.449 4.723 0 1 HJAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1COC(=O)CCC(=O)O 2356682431 LUHSWHOJYYFAQU-QEFHDYNCSA-N 406.563 4.892 0 1 HJAF CCOC(C)(C)[C@@H](O)CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 2356746950 CJQYULOPIOIXTA-FQEVSTJZSA-N 400.471 4.821 0 1 HJAF CC1(C)C=Cc2cc([C@@H]3COc4cc5c(c(O)c4C3=O)C=CC(C)(C)O5)c(O)cc2O1 2356804476 VOBQAOCWJCLPCM-INIZCTEOSA-N 420.461 4.825 0 1 HJAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1-c1ccc(C(=O)O)cc1 1534079 YOIYFWDADIBIIB-FOWTUZBSSA-N 410.495 4.685 0 1 HJAF O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4055976 IKRDPUBJRXEAHA-JTHBVZDNSA-N 420.896 4.627 0 1 HJAF CCCC(=O)c1c2c(c3oc(=O)cc([C@@H](CC)OC(C)=O)c3c1O)C=CC(C)(C)O2 14448228 CDKATPIFUZRMEU-MRXNPFEDSA-N 414.454 4.680 0 1 HJAF biogenic CCOC(=O)c1ccc(COc2ccc(Cl)c3c2C2(CCCCC2)NC(=O)N3)o1 28367064 LRJDXDRKLRBINJ-UHFFFAOYSA-N 418.877 4.983 0 1 HJAF CCN(CC)CCCCc1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40380024 UHACBQYGMQICPT-XMMPIXPASA-N 411.542 4.555 0 1 HJAF Nc1scc(CN2CCN(C3CCCCC3)CC2)c1C(=O)c1ccc(Cl)cc1 40393242 PNTFMBLZDHRWEH-UHFFFAOYSA-N 418.006 4.665 0 1 HJAF O=c1cc(NCCCNCc2cc3c(Cl)cc(Cl)cc3[nH]2)[nH]c2ccccc12 45188032 QTJPPBAWMBBRID-UHFFFAOYSA-N 415.324 4.908 0 1 HJAF N=C(N)c1cc2c(O[C@H](C(=O)Nc3ccccc3)c3ccccc3)cccc2s1 45386372 MSOTYSLKONXWAT-NRFANRHFSA-N 401.491 4.944 0 1 HJAF CCCOC(=O)NCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95560343 IYSVKYMJESGQCN-UHFFFAOYSA-N 413.528 4.755 0 1 HJAF COc1ccc(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)c(OC)c1 102181772 CPCWCEBGSAHTDC-NILVNCKXSA-N 408.336 4.766 0 1 HJAF COc1ccc(-c2cncc(Cc3c(=O)[nH]c(C)c4cc(OC)c(OC)cc34)c2)cc1 169703359 PZGMSPJSIGMXQV-UHFFFAOYSA-N 416.477 4.515 0 1 HJAF Clc1cnc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586997858 DGOXAGKOYDVURX-UPHRSURJSA-N 413.058 4.926 0 1 HJAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cs1 587014209 MNMVLNYEQHUCIK-UHFFFAOYSA-N 416.400 4.869 0 1 HJAF O=C(Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1)c1cccs1 587020117 XQFALOZXDHJBQG-UHFFFAOYSA-N 410.311 4.626 0 1 HJAF CCOC(=O)CNc1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1 587227006 HGGZDSSLDZIVKI-UHFFFAOYSA-N 402.292 4.584 0 1 HJAF COc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1C 587231834 VSHRWZRTDXORQO-UHFFFAOYSA-N 416.481 4.769 0 1 HJAF CSc1ncc2c(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379072 WWXVIHMFTYFMQS-REWPJTCUSA-N 422.481 4.634 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4ccc(Cl)cc4CCc4cccnc41)[C@@H](C2)C3=O 587424255 YAZYHJODUNJOBO-YADARESESA-N 403.865 4.533 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O 587427361 SYIDMAAQZNQAMO-YPMLDQLKSA-N 411.654 4.913 0 1 HJAF COc1ccc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587552562 AMQUXNTZVMLTSD-NQIIRXRSSA-N 414.360 4.705 0 1 HJAF C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581705 JEEBSECMDOJJAH-KXVHNFKESA-N 415.489 4.777 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 587585178 COCCOGXADYDZOF-WIOPSUGQSA-N 417.461 4.704 0 1 HJAF O=C(c1sccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658386 OJKDMTSDKHOKLR-UHFFFAOYSA-N 402.809 4.745 0 1 HJAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]c1Br 587687701 ZTKVFSBFXXHSAU-BCTVWOGZSA-N 416.132 4.785 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COCC(F)(F)F)o2)N1 587712381 PFIPRGVCPCIGQG-XXFAHNHDSA-N 422.216 4.884 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccccc2)N1 587717476 FVMUDUYGHVICAK-NSPYISDASA-N 412.249 4.590 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCNCC2)N1 587728664 BDBQVTCJLWPPSH-ZSEKCTLFSA-N 421.329 4.505 0 1 HJAF CCCn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587753743 BQKXGWJFJGQQCQ-BLVKFPJESA-N 402.311 4.972 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCCN2)N1 587789684 BHRMXWGUNJVBQI-OREJSRFESA-N 403.339 4.508 0 1 HJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587952413 QKTGVRTWFUPCOP-FTRWYGJKSA-N 407.580 4.640 0 1 HJAF CCOC(=O)[C@@]1(c2ccccc2CC)c2cccc(F)c2CCN1[C@H]1CCSC1 962697694 HQIZDAWSPCMLAX-MHECFPHRSA-N 413.558 4.558 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1 962892575 GHCIMEZVLCXMFY-HNAYVOBHSA-N 403.862 4.912 0 1 HJAF COc1cc(C)ccc1[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959769 QIWYTAAENOOIOV-NRFANRHFSA-N 405.460 4.937 0 1 HJAF CN1C(=O)C[C@H]2CN[C@](c3ccsc3)(c3ccc(Cl)c(F)c3)c3cccc1c32 963027007 KXRHUPDOOBCJAY-XMHCIUCPSA-N 412.917 4.886 0 1 HJAF COc1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c2cc(C(=O)O)oc12 963105466 JQRQPZQBWBPTPY-HXUWFJFHSA-N 406.265 4.856 0 1 HJAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4cccnc4)nn3)cc2)n1 1857744867 XWBXUELAEVFUGD-UHFFFAOYSA-N 424.308 4.553 0 1 HJAF C[C@@H]1OC(=O)[C@@H]2[C@@H]1[C@H](O)C[C@H]1[C@]2(C)C(=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 2356632133 WJSGBVFFQLYGRE-JUMRKPHCSA-N 416.602 4.773 0 1 HJAF CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4[C@@H]1[C@H]23 2356777471 WRBXVJKFKHACHK-MLHPVIOPSA-N 420.461 4.878 0 1 HJAF COc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C(=O)C(C)(C)C)c1 61942643 DSVCBYSKGQXYQG-BVSLBCMMSA-N 408.542 4.544 0 3 HJAF c1cc(CCc2cccc(-c3nnn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1 3790773 KHCFHVKDUMKOPV-UHFFFAOYSA-N 407.477 4.779 0 1 HJAF CN(C)c1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl 3814680 LLUUVZZXTDQWCM-UHFFFAOYSA-N 422.884 4.666 0 1 HJAF C[C@]12CC[C@H]3[C@@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@]53C)[C@@H]1CCC2=O 27331098 KGFRQVJXQKRIGD-GJDPNALDSA-N 402.538 4.733 0 1 HJAF CCc1nc2n(c1C(=O)N(CC1CC1)CC1CC1)CCN2c1c(C)cc(C)cc1C 28126244 XQQUWBOTKMKOPS-UHFFFAOYSA-N 406.574 4.785 0 1 HJAF Cc1ccc(NC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 36189262 FSHSFSWCXDGVQS-WZAVYVBLSA-N 406.570 4.847 0 1 HJAF CCOC(=O)CCC(=O)Oc1cc(C(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1 45367889 OVCFAJVURXBTCK-UHFFFAOYSA-N 413.301 4.725 0 1 HJAF O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OC1CCCC1 72180587 KAKXWYADQRQUHW-UHFFFAOYSA-N 424.541 4.831 0 1 HJAF COc1cc(Nc2cc3c(cn2)nc(-c2cccc(F)c2)n3C)cc(OC)c1OC 82083080 HLZGQXRDKPSGQA-UHFFFAOYSA-N 408.433 4.544 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1)c1cncc2c1cnn2-c1ccc(F)cc1 114105804 IEMCBWLBZBJJHV-UHFFFAOYSA-N 414.362 4.508 0 1 HJAF COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)cc1 169350885 AXYZRVDDVUCZDW-VQTJNVASSA-N 407.341 4.833 0 1 HJAF CCOc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729857 VJHNXBIMUUPOLB-LEWJYISDSA-N 414.889 4.748 0 1 HJAF CSc1sc(-c2nc3cc(Cl)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920419 PWYLJDBEQBLCQT-UHFFFAOYSA-N 422.384 4.897 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(C)nccc3[nH]2)c1C=O 586968071 LIPSUADBUPTEIE-UHFFFAOYSA-N 411.918 4.578 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)cnc3[nH]1)N2 587032606 UXFRRWBZONQSKK-TXEUWIOXSA-N 405.936 4.738 0 1 HJAF O=S(=O)(O)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072063 SRZPVCUMWUWZLQ-UHFFFAOYSA-N 420.277 4.845 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CO)cc2[nH]1)c1cccc(Cl)c1 587072421 WDURMFRMNUSASD-QGZVFWFLSA-N 401.894 4.517 0 1 HJAF Cc1[nH]c(-c2ccco2)nc(=O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105484 ATLLXWLWPBMAGH-UHFFFAOYSA-N 405.413 4.765 0 1 HJAF CS(=O)(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110285 QCTVJDKRDNISHB-UHFFFAOYSA-N 422.350 4.595 0 1 HJAF O=S(=O)(O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163842 LWSYYXIURRWOPQ-XNTDXEJSSA-N 400.456 4.599 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(C)cc1 587205594 CKVVTDSHUKLEPI-QGZVFWFLSA-N 400.320 4.671 0 1 HJAF Cc1nc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1Br 587233246 KSYDBRFWDKYTLM-DGCLKSJQSA-N 409.328 4.580 0 1 HJAF C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327677 GYLOLAMYKWQTMB-XMSQKQJNSA-N 423.831 4.682 0 1 HJAF Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587345350 ZFWSRDCORSGFGO-ZJSXRUAMSA-N 402.425 4.692 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2 587406234 ANBWKJSSASMTHP-PUAOIOHZSA-N 421.493 4.800 0 1 HJAF CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587411239 CEUKBZXCESZLNL-FQEVSTJZSA-N 407.495 4.733 0 1 HJAF COc1cc2c3c(c1)O[C@](Cc1ccccc1Br)(C(C)C)[C@@H](C2)C3=O 587412945 KNNUNJPTUOSNJU-HRAATJIYSA-N 401.300 4.843 0 1 HJAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccc(Cl)cc1 587502747 SXANAXCNONAKLS-HSZRJFAPSA-N 407.901 4.989 0 1 HJAF C[C@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545080 GAHOZWZCGZAQMD-WIYYLYMNSA-N 416.351 4.994 0 1 HJAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587720192 MWDZQYCURDPCMU-YYSFKGJASA-N 400.238 4.889 0 1 HJAF Cc1noc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 587789613 ADXYEMIXHZIXLO-MLCYQJTMSA-N 402.267 4.570 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCOCC2)N1 587837114 ZLQROXGGPQBOGO-QKKBWIMNSA-N 404.323 4.793 0 1 HJAF Cc1cc2c(cc1F)[C@@]1(NCC2)c2cccc3c2N(CCC3)C(=O)[C@@H]1c1ccccc1 962297066 HZZCXRYPCNUPSE-IGKIAQTJSA-N 412.508 4.600 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)C2(c3ccccc3)CCC2)C(=O)OC)cc1 1772592371 NWSFNPCQJBKJCQ-WMZHIEFXSA-N 423.553 4.954 0 1 HJAF Cn1c(-c2ccc(CN3CCCC3)cc2)nc2onc(-c3ccccc3Cl)c2c1=O 1772604229 MPUWMYUKPMILEZ-UHFFFAOYSA-N 420.900 4.505 0 1 HJAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCC4(CCNC4)CC3)cc2)cc1 1857650143 UMSLZMJYBZOKMH-UHFFFAOYSA-N 406.448 4.953 0 1 HJAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@]3(C)CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@]35CC[C@]12C 2356779490 SYZLFHXVKSPQIU-ZDRPKJSESA-N 416.694 4.982 0 1 HJAF CC(=O)Nc1ccccc1OP(=O)(Oc1ccccc1NC(C)=O)c1ccccc1 27721288 WNTPFLXPBBLMJM-UHFFFAOYSA-N 424.393 4.580 0 1 HJAF Cc1cc(Cl)cc2c1S(=O)(=O)N=C(C(=O)c1ccc3ccccc3c1)S2 33503573 GTCHDDIKOTUWIQ-UHFFFAOYSA-N 401.896 4.877 0 1 HJAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 40975044 WFFHFFYRKADMSL-ZEHGXIKOSA-N 407.602 4.589 0 1 HJAF CS(=O)(=O)c1ccc([C@@H]2Sc3ccccc3C(=O)N2CCc2ccccc2)cc1 43060113 SQDQYYZHLUAFFO-QHCPKHFHSA-N 423.559 4.580 0 1 HJAF O=C(Nc1ccccc1)NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72100831 UJFRYCGKVLAJKI-JOCHJYFZSA-N 421.932 4.506 0 1 HJAF CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1C1CC1 84706942 YYCVSLJJJVOYHI-UHFFFAOYSA-N 415.515 4.524 0 1 HJAF CCc1ccc(O)c([C@@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 95593066 NIRMMTQJLKPRRA-QKLQHJQFSA-N 409.526 4.710 0 1 HJAF CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=C[C@H]1O 95619956 FROHWGGMFSFTTA-BUKZCHMMSA-N 421.581 4.634 0 1 HJAF endogenous,in-man O=C(Nc1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100092736 QROKADBUAXJMSZ-NUNAXRQHSA-N 405.448 4.604 0 1 HJAF COc1ccccc1NC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2C)cc1 100108023 DPRLCGHMEHYIQS-FVRPBGSPSA-N 413.521 4.642 0 1 HJAF C[C@@H]1[C@@H](NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)CCC[C@H]1C 104141586 UZAIYWUDAMKXAD-RYRKJORJSA-N 409.555 4.524 0 1 HJAF CCCCn1c(O)c2n(c1=O)[C@@H](c1cccc(Cl)c1)c1[nH]c3ccccc3c1C2 169717799 FZLIZEDIIINGGS-NRFANRHFSA-N 407.901 4.832 0 1 HJAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)ccc1C(F)(F)F 221365147 KAHNVGULAGTHQD-CQSZACIVSA-N 417.431 4.909 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255258237 PDEKSQPGUZKWQD-CECYJYGDSA-N 404.591 4.775 0 1 HJAF Cc1c(Br)ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586983385 BOFMZUAFPSZBJP-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccnc(Cl)c3[nH]1)N2 587030636 GXZZGVDMZNBBDM-VKRGWIQLSA-N 405.936 4.738 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2 587032497 UAYDDOZRCMFBTR-UWZPUTRXSA-N 406.483 4.968 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587035426 WINHOXAKJWHTRJ-AWEZNQCLSA-N 411.458 4.886 0 1 HJAF O=C(O)Cc1c(-c2ccc(Cl)cn2)nc2cccc3c2c1-c1ccccc1C3=O 587103127 DEONAQUIPWJASD-UHFFFAOYSA-N 400.821 4.789 0 1 HJAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)ccc2F)cc1 587139746 SYYHVSZGABCXTG-UHFFFAOYSA-N 401.441 4.940 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2F)c1 587144143 RKNDBFVDUWPGBN-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341535 XYHCQVVRZRIXRQ-XXBNENTESA-N 415.461 4.564 0 1 HJAF CC[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H](CC)N1C(=O)OC(C)(C)C 587400442 PNVYNGJEGVQWOS-MICWEPACSA-N 402.535 4.869 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4[S@](C)=O)cc1)[C@@H](C2)C3=O 587447476 AKEAVRVJPIOSPR-OVGHYBAFSA-N 404.487 4.588 0 1 HJAF COCCCc1cc(OC)c(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526607 YQNWOHFEQFQZAD-JOCHJYFZSA-N 410.510 4.868 0 1 HJAF CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587545848 PRECMMVAMPESAR-KNQAVFIVSA-N 424.836 4.925 0 1 HJAF CN(C)/C=C\[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548583 QAIISYVETNHOHZ-AFUZNKLUSA-N 421.880 4.978 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1 587559180 ZINLQFJOTYGMCC-YLJYHZDGSA-N 402.324 4.994 0 1 HJAF Cc1ccc(C)c([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571876 MWTAVERYQRWYIE-CUVBYSPASA-N 415.489 4.941 0 1 HJAF COc1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599797 HMPZXIOHYYDCQG-RDGATRHJSA-N 402.446 4.984 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCCCC2)N1 587766226 MQZHEIWKFVHLAR-YJYMSZOUSA-N 404.327 4.597 0 1 HJAF CCOC(=O)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587798953 QHDCNKJNWRRFNE-SZNDQCEHSA-N 420.322 4.514 0 1 HJAF Fc1ccc([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1 653663520 IBCRFIIKJWCMHD-FQEVSTJZSA-N 413.447 4.805 0 1 HJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1ccccc1Br 653845313 COXICQNKKJGZST-NRFANRHFSA-N 408.299 4.937 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1)C(F)(F)F 962759567 CESGNJBAOQVFJR-UNMCSNQZSA-N 421.422 4.761 0 1 HJAF CC(C)c1nn(C)c2c1[C@](C)(c1ccccc1NC(=O)Oc1ccccc1)NCC2 962916602 CFBHEAKFKJWUTG-DEOSSOPVSA-N 404.514 4.564 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC(C)=O)cc2)(c2ccco2)N1 962955335 MEHBCROFCFXUOA-IQGLISFBSA-N 400.478 4.902 0 1 HJAF CCCCO[C@@H]1C[C@]2(N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)C1(C)C 963170439 AKEYDTWQDRQXRU-PJIJBLCYSA-N 419.871 4.768 0 1 HJAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC5CCCC5)ccc43)[C@@H]21 1857586980 ZVFPTZHEQWWUDI-HSZRJFAPSA-N 405.473 4.706 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356545977 UUNHPBZSQYSXEZ-JKSVLMKUSA-N 424.581 4.995 0 1 HJAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(Cl)c(Cl)c1 13607653 PEPNLUGXUMBWDE-CYBMUJFWSA-N 424.353 4.570 0 1 HJAF CC1=C(Cc2cc(CO)cc(O)c2OS(=O)(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]2CC1 14710107 ILWBTSYVQZWXFP-UGKGYDQZSA-N 424.559 4.552 0 1 HJAF biogenic O=S1(=O)Oc2ccccc2N=C2C1=CC=CN2CCc1cccc2ccccc12 40393849 OQVTWOGCEFESEK-UHFFFAOYSA-N 402.475 4.548 0 1 HJAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccco2)C1 82216514 OMBYGVFPQYKGLK-ROUUACIJSA-N 404.514 4.999 0 1 HJAF COc1ccc(Nc2cc3[nH]c(-c4cn(C)nc4C(F)(F)F)cc3cn2)c(OC)c1 103250549 YXZKAOHYFKVRAT-UHFFFAOYSA-N 417.391 4.743 0 1 HJAF CN(C(=O)[C@H](CC(=O)O)Cc1ccccc1)c1nc(-c2ccccc2Cl)cs1 117513057 OBDALOKUUNSYAK-HNNXBMFYSA-N 414.914 4.760 0 1 HJAF O=C(O)CC[C@H](Oc1cc(OCc2ccccc2)ccc1C(=O)O)c1ccccc1 140524437 DUTNRXOYHJLZJU-NRFANRHFSA-N 406.434 4.949 0 1 HJAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@H](CC)c3ccccc3)cc2)cc1 149285671 UXGKCQZWBHGMBU-XMMPIXPASA-N 400.522 4.913 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)ccnc4[nH]3)c(=O)oc2c1C 586917805 JOCMLMOPPWGMTE-UHFFFAOYSA-N 403.482 4.925 0 1 HJAF Cc1cc(C)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 587006433 NLWWLBPWHTXDIL-UHFFFAOYSA-N 408.299 4.819 0 1 HJAF CC(=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587054865 IVRIRYKWEKFCJF-UHFFFAOYSA-N 412.276 4.949 0 1 HJAF CC(=O)OC[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351950 VSOTXPRQNWLVCL-ILBGXUMGSA-N 420.436 4.657 0 1 HJAF C[C@]1(c2cccc(OC[C@@H]3CO3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360312 UTJUMAVYYQDDEO-JHMXWDHMSA-N 420.436 4.583 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCCCC(=O)O)(c1ccc(OC)cc1)CC2=O 587481234 QFJUQJOJKRDZBN-DEOSSOPVSA-N 412.482 4.859 0 1 HJAF C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553962 CAKOAUTVIMAFKL-BTYIYWSLSA-N 404.315 4.826 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(F)F 587557214 QRFPLVXKPSXJJD-WIYYLYMNSA-N 414.360 4.705 0 1 HJAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1N1C(=O)c2ccccc2C1=O 587642807 OUTFCPKXQLPSLI-CQSZACIVSA-N 404.466 4.588 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2cccs2)nn1 587661768 TVIBBEQDQODMSD-UHFFFAOYSA-N 400.438 4.710 0 1 HJAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809513 UDEMRCRWPCLTQU-GIPWTMENSA-N 408.311 4.712 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(c2ccccc2)N1 587816483 YUVQQMVXAVYRRG-ASSNKEHSSA-N 402.307 4.735 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829753 CFQYSFMWTPBBMS-PRWKNARSSA-N 406.295 4.633 0 1 HJAF COc1ccc([C@]2(CC(=O)C(F)F)c3ccsc3CCN2Cc2ccco2)cc1 962715742 XPMXZBOBGMDBGD-JOCHJYFZSA-N 417.477 4.876 0 1 HJAF Cc1cccc(C)c1[C@@]1(c2cnc3ccccc3c2)NCCc2nc3ccccn3c21 962982625 IZCDBEJYYDYWKC-HHHXNRCGSA-N 404.517 4.937 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc3ccc(F)cc3[nH]2)N1 963171748 BVHXEXNYXHBCCG-IRXDYDNUSA-N 412.770 4.668 0 1 HJAF Oc1ncc(Cl)cc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819971 ZONQVPRDDUBKTJ-OAQYLSRUSA-N 405.885 4.736 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CCC4=C5C[C@H](O)[C@@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1 2356381973 IHUAQEBWORFLGF-HGGKDWROSA-N 411.630 4.836 0 1 HJAF CC(=O)O[C@@H]1C=C(C)CC(=O)C[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 2356449883 BIVURAJWBKYIFM-FDRMYILVSA-N 404.547 4.794 0 1 HJAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@H]([C@](C)(O)CCCCCC)O3 2356698148 KBDXHODIYPYLNP-HYBUGGRVSA-N 416.514 4.573 0 1 HJAF CCCCCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26387255 FZSXHRMZIAUGIF-ZUYAZALLSA-N 402.623 4.772 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CC(C)C)C(=O)O)cn1 34717818 PZBKYICTVQFMDF-HXUWFJFHSA-N 408.498 4.956 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@@H]3CC[C@]12C 34801426 LGKOHXBHQYUHPI-JJUKPPQNSA-N 404.595 4.554 0 1 HJAF CC1=C(CC/C(C)=C/CCC2=CC[C@@H](C3=CC(=O)O[C@@H]3O)O[C@H]2O)C(C)(C)CCC1 35024841 FGJIDQWRRLDGDB-LHQJKSNNSA-N 416.558 4.855 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)c(C)c1)c1cccs1 35259319 FBOSACKSMJIGGY-INIZCTEOSA-N 404.808 4.817 0 1 HJAF O=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1 64526495 QLEMUSZICZCEGW-UHFFFAOYSA-N 411.461 4.618 0 1 HJAF CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@H]1CCCO1 82187587 MQBOFAPXUCQJMQ-LJQANCHMSA-N 411.525 4.703 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H]1CCCO1)c1ccccc1 82188226 MPKGJOANCYOGSD-LPHOPBHVSA-N 419.554 4.949 0 1 HJAF O=C(Nc1ccccc1)[C@@H]1CC[C@]23CCN(CC4CC4)C[C@]2(Cc2ccc(O)cc23)C1 84617682 YLMCBOPBZSKALW-COFKYPDJSA-N 416.565 4.727 0 1 HJAF CO[C@H]1Cc2cc(-c3cccnc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95557597 CLCKUERXHBVZOY-JOCHJYFZSA-N 406.551 4.847 0 1 HJAF CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95575279 XBOPKNKBGDXPOY-QFIPXVFZSA-N 412.961 4.891 0 1 HJAF CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95578143 HEPHWMFNKQUFCM-VGOFRKELSA-N 412.961 4.891 0 1 HJAF O=C(N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccc(F)c1F 95607166 FNXIHIMNVBDVAC-LJQANCHMSA-N 422.475 4.515 0 1 HJAF Cc1cccc(/C(O)=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 100014065 FJPAXJFPIARBRC-NDENLUEZSA-N 407.832 4.938 0 1 HJAF CCCCc1nc(Cl)c(C=O)n1Cc1cc(OC)c(OC)cc1Br 103289105 SFTHHCGGVCBCOO-UHFFFAOYSA-N 415.715 4.520 0 1 HJAF CC(=O)Nc1cc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c(C)cc1C 167066893 ANEWBYRCPABKOK-CSKARUKUSA-N 410.477 4.935 0 1 HJAF O=C(O)Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1 169333674 GCYNRNQLVNDBLD-UHFFFAOYSA-N 424.456 4.972 0 1 HJAF COc1ccc(Cl)cc1NC(=O)C1CCN(c2ncccc2C(F)(F)F)CC1 169349277 ZOROTGCIKKNGLK-UHFFFAOYSA-N 413.827 4.618 0 1 HJAF COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1 169694919 SZWWTIDHPCRSNF-RTWAWAEBSA-N 421.537 4.881 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 221129683 MNGSAHBZLHEBRV-OXQOHEQNSA-N 403.486 4.693 0 1 HJAF CC1=C[C@@H](c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)[C@@H](C(C)(C)O)CC1 238787879 CBHRGXJCSVCIOR-LPHOPBHVSA-N 422.477 4.788 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccccc1C 261192396 ZQBGUSVEJGJZFC-IBGZPJMESA-N 424.884 4.665 0 1 HJAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@H]([C@]3(C)CCCC[C@@H]3C(=O)O)CC[C@@]12C 504537182 BWPVHESSENIYDR-VTTCCRTDSA-N 422.562 4.912 0 1 HJAF biogenic Cc1c(Br)cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2c1C 586947802 GFIFWNMHLIHBJL-UHFFFAOYSA-N 422.348 4.759 0 1 HJAF CCCOc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br 587123974 LXSUMMRDRPBTHQ-UHFFFAOYSA-N 412.234 4.820 0 1 HJAF CC(C)(C)Oc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(N)cc1F 587135715 BPOKJXWORHMXOP-UHFFFAOYSA-N 405.477 4.960 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)c(F)cc4[nH]3)cc2)cc1F 587147238 HVCPZUMUWQCMPV-UHFFFAOYSA-N 409.411 4.988 0 1 HJAF CCn1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587332487 QVIILMJIZOYNBG-WIYYLYMNSA-N 400.837 4.675 0 1 HJAF COc1ccc2c(c1)CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351313 MKFGPYLVGONFIH-NOZRDPDXSA-N 404.437 4.827 0 1 HJAF COc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354261 ANVXBNJTXVSIAZ-ZJSXRUAMSA-N 406.409 4.577 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507637 RPQAULXRMBSNFT-HSZRJFAPSA-N 400.421 4.658 0 1 HJAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 587588091 OVWOLOUVYMKIGA-OZXSUGGESA-N 423.424 4.970 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CN2CCCC2)cs1 587615830 ZDYNJPNRZXFKSU-NFBKMPQASA-N 407.491 4.752 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 587668013 YDIZEGRLQNXTNE-UHFFFAOYSA-N 403.457 4.744 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2-n2cccn2)N1 587719643 LLDRVENMDQULCN-ADLMAVQZSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1 587723340 XBVYPGDBPCBKHG-BCTVWOGZSA-N 400.194 4.533 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC3CCCCC3)n2)N1 587766434 WBFUGKVNCVXLCM-RNODOKPDSA-N 406.343 4.989 0 1 HJAF CC(=O)Oc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812690 RJDYWTHUNYRMSJ-FKIZINRSSA-N 406.295 4.754 0 1 HJAF Cc1cc(C)c2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837352 GASYBCPQJFTVAM-BUXKBTBVSA-N 416.290 4.935 0 1 HJAF CCOC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc2c1 587932802 QPXYGSGLHHVYQZ-UHFFFAOYSA-N 400.434 4.646 0 1 HJAF COc1ccc(C2=Nn3c(nnc3[C@H](C)c3ccc(CC(C)C)cc3)SC2)cc1 653709733 WOTKFVIQXYSGDB-MRXNPFEDSA-N 406.555 4.995 0 1 HJAF CCOc1cc([C@@H]2N[C@@H]3CC[C@H]3c3ccc(OC)cc32)c(Br)cc1OC 962995061 MCAJFNMHNIASGG-FIKMYACPSA-N 418.331 4.804 0 1 HJAF Cc1cc2c(cc1O)[C@H](c1ccc(Sc3ccc(Cl)cc3)o1)N[C@H](C(=O)O)C2 963474503 VDKIQDSDHZMSTA-OXJNMPFZSA-N 415.898 4.787 0 1 HJAF c1ccc2c(c1)nc(-c1ccncc1)n2CCNc1nc(CN2CCCCC2)cs1 15934851 KIURNYIAWYVNFK-UHFFFAOYSA-N 418.570 4.653 0 3 HJAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccsc1 775154 RDAVIUKVAQZHSA-QGZVFWFLSA-N 422.481 4.543 0 1 HJAF COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCC(=O)O)c2C)c1 3834035 XLHWOGDAUMWGHR-BKUYFWCQSA-N 416.477 4.817 0 1 HJAF COc1cc2ncnc(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)c2cc1OC 4822159 HKZADGIXTKBZTF-UHFFFAOYSA-N 411.465 4.858 0 1 HJAF CN1CC[C@@H](c2cn(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c3ccccc23)C1 6013358 SHXFFVWCEONIIE-CYBMUJFWSA-N 409.338 4.604 0 1 HJAF COc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)/c2=N\Nc2ccccc2)cc1 26573837 AGFRIFGJACNPFZ-RFBIWTDZSA-N 415.493 4.799 0 1 HJAF COc1cc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2cc1OC 33817781 STQSBKDQCROVAA-UHFFFAOYSA-N 400.482 4.871 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CSc2nccc(C(F)(F)F)n2)cc1 34294977 GMXVQBBEKILTMI-UHFFFAOYSA-N 404.417 4.622 0 1 HJAF COc1cccc(Nc2nc(C)cc(NC3CCN(Cc4ccccc4)CC3)n2)c1 45202790 ZUYDQGPYBSKEJP-UHFFFAOYSA-N 403.530 4.614 0 1 HJAF CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1 82179976 RUBWPQHUJPFDBV-UHFFFAOYSA-N 414.557 4.707 0 1 HJAF CC(C)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1 82185191 JAPNWDGERYNDKP-UHFFFAOYSA-N 412.969 4.701 0 1 HJAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C1 82217050 FEEYCIMMQCJYJO-ROUUACIJSA-N 410.537 4.924 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCCC(=O)N1Cc1ccccc1 95565234 LSOBMBJHNCZRSG-KRWDZBQOSA-N 424.850 4.556 0 1 HJAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(F)cc2)CC1 96318655 KIOBRTQKKXXNTQ-UHFFFAOYSA-N 407.489 4.609 0 1 HJAF COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2Cc2ccccc2)cc1 96907889 DUPNJDHSULTZDT-XMMPIXPASA-N 419.521 4.891 0 1 HJAF CCN[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 101556853 KECJUZXONYNDMK-OKILXGFUSA-N 402.905 4.598 0 1 HJAF COC1=C(C)[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)[C@H]3C(C)=CO[C@@H]3C[C@@]2(C)CC1 238774492 OHJOLXCVQUXFGH-MHEBWNBUSA-N 408.494 4.594 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cccc(F)c3[nH]1)C(=O)OC2 586915049 GSJRQDKEMBPXMZ-KPKJPENVSA-N 410.445 4.517 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)s1 587023710 UWXARPXXXMZBSR-UHFFFAOYSA-N 422.514 4.865 0 1 HJAF CC(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587031837 PTPDZCHWJYHSDR-WIJRQFRKSA-N 412.540 4.892 0 1 HJAF C[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130947 ZRTLWWGJTHBMEY-OVZGEXIGSA-N 404.755 4.621 0 1 HJAF CN(C)C(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587149481 HHLXLMZWPXWPBW-OAQYLSRUSA-N 407.420 4.711 0 1 HJAF Cc1cncc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587178542 DOBDMJSUQRUVCL-UHFFFAOYSA-N 403.145 4.557 0 1 HJAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587350638 KWNRBMZLHPHCOK-VWNXMTODSA-N 408.425 4.823 0 1 HJAF COc1ccc(C(=O)Nc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587388715 GBMUBHNZHMFMQY-JOCHJYFZSA-N 402.450 4.545 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC(C)(C)C1 587479923 VIPSSFGJRAYXJQ-QHCPKHFHSA-N 403.519 4.716 0 1 HJAF C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516683 DPPBBVKWZGDBAX-HFJWLAOPSA-N 419.521 4.948 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 587585168 COCCOGXADYDZOF-DHLKQENFSA-N 417.461 4.704 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)ccc2F)N1 587729629 WGXVHJFNUIJBNG-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF Cc1cccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587756847 FXTNNRALKOEHIS-RNODOKPDSA-N 400.295 4.706 0 1 HJAF COC(=O)Cc1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587782976 BNSXDQZHWDOHLL-UHFFFAOYSA-N 413.193 4.727 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799572 SLVKPHFBWDIYHT-CCMJGWDWSA-N 412.343 4.707 0 1 HJAF C[C@@H]1C[C@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)[C@@H]2CCCC[C@H]2N1 962635363 HYVSQVCWHUEELT-OPBHZNMHSA-N 401.598 4.569 0 1 HJAF CO[C@@H]1CC(=C2C=CC=N2)N[C@]12O[C@H](C)C[C@H]1CCCCCCCc3ccc([nH]3)[C@@H]12 2356340665 VCQKVUNLUXMOER-KRCBTXFRSA-N 409.574 4.977 0 1 HJAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(O)c1OC 14435653 NRYABYTUBVDSHN-IRTBSJMASA-N 418.486 4.520 0 1 HJAF biogenic COc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26950911 FFFBLUYUGVALAT-FMBBHRDHSA-N 422.569 4.547 0 1 HJAF NCCCN(Cc1ccccc1)Cc1ccc(Cc2ccc(Br)o2)cc1 27706046 QUZAWUGOFALDMX-UHFFFAOYSA-N 413.359 4.984 0 1 HJAF O=S(=O)(c1cccc(Cl)c1Cl)n1cc(C2=CCCNC2)c2ccccc21 28526590 QBDJQEIOYJTECE-UHFFFAOYSA-N 407.322 4.562 0 1 HJAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCCOC(=O)c2ccccc2)C1 36271544 GBRACIWJCUBBNF-PZJWPPBQSA-N 403.975 4.966 0 1 HJAF CN(C)c1cc(O)cc(OCCCOc2cc(O)cc(N(C)Cc3ccccc3)c2)c1 40918088 KQTMRYQPYUPKNM-UHFFFAOYSA-N 422.525 4.648 0 1 HJAF Cn1nccc1-c1cc(NC(=O)Nc2ccccc2)ccc1OCCN1CCCCC1 45246022 RAHFMWIVAWRIBA-UHFFFAOYSA-N 419.529 4.596 0 1 HJAF C/C(=C\CCC1=CCN(CC(=O)O)C1=O)CC/C=C(\C)CCC[C@H](C)CC(=O)O 49068989 FYWCTUYAFXXJQJ-SNSLKRADSA-N 405.535 4.574 0 1 HJAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)no1 68245136 QYNFAYQNUYQLMB-LBPRGKRZSA-N 416.831 4.647 0 1 HJAF CC(=O)c1sc(Nc2ccccc2)c(-c2nnc(NC(=O)c3ccccc3)o2)c1N 73224700 CMPCLEJZNQSAMA-UHFFFAOYSA-N 419.466 4.579 0 1 HJAF COC(=O)/C=C/c1c(OC)ccc2c(-c3cc(OC)c(OC)c(OC)c3)cccc12 84596776 SBSKSAZGRPTCPB-ZRDIBKRKSA-N 408.450 4.727 0 1 HJAF COC(=O)c1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 95593675 PUHWZQRDBOELFO-UHFFFAOYSA-N 420.852 4.677 0 1 HJAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)CCCO1 103215603 OUKBBTCMTSACHT-LJQANCHMSA-N 413.555 4.711 0 1 HJAF COC12CC3C[C@@H](C1)C(Cc1nnn[nH]1)(c1ccc(-c4ccccc4)cc1)[C@@H](C3)C2 103232194 XKMLIUUJBQQYML-QKFYENJWSA-N 400.526 4.572 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167771344 OTYYFHOYBHWRFW-KBXCAEBGSA-N 423.538 4.640 0 1 HJAF Cc1ccc(-n2c(O)c3c(c2O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 169688649 OLRCVLNULHHKPI-PXNSSMCTSA-N 408.885 4.925 0 1 HJAF CO[C@@H](/C=C/[C@H]1CCC(=O)O1)CCCCCC=C(Br)Br 198355070 VKOGIGKSQGLZNY-VSONXHSHSA-N 410.146 4.845 0 1 HJAF CCCCNC(=O)c1c(-c2ccccc2)nn2cc(-c3ccc(OC)cc3)n(C)c12 248029093 NRRDEPXAVPFKNJ-UHFFFAOYSA-N 402.498 4.545 0 1 HJAF NC(=O)c1ccc(Nc2ncnc3c(C(F)(F)F)cc(-c4cncs4)cc23)cc1 299850976 DMHJHSKVAFHFOT-UHFFFAOYSA-N 415.400 4.615 0 1 HJAF CC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)-c3cccc1c32 586988870 YRIVCNHNAYLIJU-AWEZNQCLSA-N 418.452 4.825 0 1 HJAF CCOC(=O)Cc1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993025 CZVQAPIKLWWUGU-UHFFFAOYSA-N 415.470 4.986 0 1 HJAF FC(F)(F)Oc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996271 UGGOIRRZYMNLAV-UHFFFAOYSA-N 400.198 4.879 0 1 HJAF Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058123 DLFYLKNWTRORKW-UHFFFAOYSA-N 424.295 4.737 0 1 HJAF Fc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587117730 ITDUMNMSORYTOG-UHFFFAOYSA-N 403.177 4.606 0 1 HJAF CCOC(=O)Cc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587190607 IPPZBLCJSGRVRS-OAQYLSRUSA-N 423.513 4.625 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)CC2=O 587478279 ALURJRAHRGTJBO-RUZDIDTESA-N 418.445 4.658 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568958 GQQFKJANJSXVGT-URXFXBBRSA-N 416.408 4.728 0 1 HJAF CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587593893 FUHZHCAJJPEAKR-URXFXBBRSA-N 406.434 4.893 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)S1 587620520 ZHYRIDOHAZNKMK-HRAATJIYSA-N 421.478 4.535 0 1 HJAF O=C([C@H]1CCO[C@@H]1c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659720 BSFJSQOATTZHMR-JTHBVZDNSA-N 414.436 4.621 0 1 HJAF COc1cc2c(cc1Cl)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587695230 IXLZVNMZQAFZJM-DGIBIBHMSA-N 410.714 4.974 0 1 HJAF Cc1cc(Cl)c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587706338 PLAQSGWLDBMNQW-QGHHPUGFSA-N 408.702 4.821 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12 587708012 XKAXWVPQVOLRQT-DYBLOJMWSA-N 410.670 4.544 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(F)F)N1 587718929 PCWATOMHZDRVBL-YPMLDQLKSA-N 400.238 4.856 0 1 HJAF Cc1ccc([C@]2(c3occc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587744617 HSRWBMKEZGYVEA-ZSEKCTLFSA-N 415.306 4.898 0 1 HJAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587762985 WCXWWRDVZYLULS-RCDCFZSISA-N 411.359 4.519 0 1 HJAF Cc1cccc(-n2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587764402 PLMZOKHMWSJCDH-SZNDQCEHSA-N 414.322 4.880 0 1 HJAF CCOC(=O)C[C@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798097 NUKLLNWRJWHUTL-RNODOKPDSA-N 412.343 4.851 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccccc1Cl 587871314 SQTANVHCQOMMDB-UHFFFAOYSA-N 415.852 4.800 0 1 HJAF COc1ccc(-c2ccncc2)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962617923 CLOIGRAPEZEBNR-FYSMJZIKSA-N 404.510 4.740 0 1 HJAF O=C1Nc2c(ccc(Cl)c2Cl)[C@]12c1ccsc1CCN2Cc1ccco1 962707645 NXANEOLJZIUPQR-LJQANCHMSA-N 405.306 4.902 0 1 HJAF COc1cc2c(cc1OC)[C@@H](CC(C)(C)SC)N(C(=O)c1ccccc1N)CC2 963156087 NVILDMKTPCVEOM-LJQANCHMSA-N 414.571 4.557 0 1 HJAF COc1ccc2cc1Oc1cc(ccc1OC)CC[C@@H](NCCN(C)C)CCCC2 1857608937 FYRUUZQFWKFLCS-NRFANRHFSA-N 412.574 4.675 0 1 HJAF COc1cccc(C(=O)[C@H]2CCCN(Cc3cccc(-n4nc(C)cc4C)c3)C2)c1 12387237 WYBFQKZCHHIRIF-QFIPXVFZSA-N 403.526 4.593 0 3 HJAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 200053264 NBMMKFHXSYQCJC-VWLOTQADSA-N 412.533 4.973 0 3 HJAF COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)c1OC 775738 MRFZIOOARJZWRH-UHFFFAOYSA-N 400.500 4.648 0 1 HJAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN(C)C 1893559 BQTOLZHBHCEHJX-UHFFFAOYSA-N 404.873 4.505 0 1 HJAF CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 13586278 WTIORDULYOQUBE-UHFFFAOYSA-N 424.516 4.895 0 1 HJAF O=S(=O)(NCCC1=CCCCC1)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580800 PMPKYMVKDINABI-UHFFFAOYSA-N 406.451 4.591 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(F)cccc2[C@@H]1CN1CCCC1 26744139 ZHJBJLVQIWKEQE-NRFANRHFSA-N 421.343 4.897 0 1 HJAF Cc1ccc(C(CCN(C(C)C)C(C)C)(CCN(C(C)C)C(C)C)C(N)=O)cc1 39254097 NAHFANBCVIWDHE-UHFFFAOYSA-N 403.655 4.736 0 1 HJAF COc1cccnc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1 72178663 XRTJBGHFZMXONU-MRXNPFEDSA-N 420.557 4.619 0 1 HJAF COc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2C[C@H]2CCCO2)cc1 82187710 LEASQTRKDJHQQO-HXUWFJFHSA-N 421.545 4.816 0 1 HJAF c1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1 100114015 ODIYNRIHUJFBFE-KUMHGWDASA-N 418.544 4.750 0 1 HJAF CCOC1(OCC)[C@@H]2c3cc(Br)ccc3[C@H]([n+]3ccccc32)C1(C)C 100714805 FOPGQMONXJBMHW-MOPGFXCFSA-N 403.340 4.580 0 1 HJAF C[C@@H]1CC[C@@H]([C@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 138668973 IRRHFODGOMSPEE-MEPOCMDBSA-N 415.662 4.921 0 1 HJAF CN(C)c1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1 208538709 LOTLGZUXHGUCOE-UHFFFAOYSA-N 400.273 4.531 0 1 HJAF Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1 473096840 BTZWZEOPAGNHAS-MRXNPFEDSA-N 401.923 4.766 0 1 HJAF Cc1ccc(-n2cnnc2SCc2nc3ccc4ncccc4c3[nH]2)cc1Cl 586968535 SUOULSBSOTVFBZ-UHFFFAOYSA-N 406.902 4.946 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4cc(F)c(C)cc4[nH]3)cc2cc1Br 586998647 NEFZXZCSIPKXLJ-UHFFFAOYSA-N 417.234 4.945 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc(Br)c2[nH]1 587044640 KCUITDRBPFIDPS-UHFFFAOYSA-N 403.063 4.711 0 1 HJAF O=c1ccc(-c2nc3cncc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052615 YCIZHYUDPRTPNM-UHFFFAOYSA-N 405.672 4.795 0 1 HJAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(I)cc2[nH]1 587110133 SWBBJMNGOXIOFO-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF C[C@@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587156063 LJVBNXQIFRBZOR-KRWDZBQOSA-N 410.193 4.534 0 1 HJAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587158803 JKEXBIVNLPZKJP-UHFFFAOYSA-N 401.441 4.853 0 1 HJAF Cc1cnc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 587343750 DIELBPBXDPLDPX-ZJSXRUAMSA-N 402.425 4.990 0 1 HJAF C[C@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344664 XNORNKIUYJQUHQ-UKILVPOCSA-N 414.436 4.991 0 1 HJAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352148 LZFLINYCQVUSSI-UAULNQMASA-N 410.441 4.540 0 1 HJAF COc1ccc([C@@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 587414557 VYWPNZIBKXMVPX-RUZDIDTESA-N 415.445 4.947 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587418173 BCQXKRKUCZUSSY-UGSOOPFHSA-N 416.861 4.579 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cccc(C(=O)O)c4)c1)[C@@H](C2)C3=O 587448582 FXJUOFUROCBKPG-CPJSRVTESA-N 400.430 4.723 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC(=O)O)c3c(CC)cccc13)CC2=O 587471738 TUVNVQXIKJHMEM-VWLOTQADSA-N 421.493 4.827 0 1 HJAF Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587532555 OOVFJVSFZJSSKY-ZCYQVOJMSA-N 424.562 4.994 0 1 HJAF Cc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587589200 WGHTYRPXUYRIDA-URXFXBBRSA-N 410.429 4.861 0 1 HJAF CC(C)(C)c1ccc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600491 BFGKOXVBNVIJNE-CPJSRVTESA-N 418.445 4.631 0 1 HJAF CCCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610845 HGRRHWLEECTFDT-MBSDFSHPSA-N 424.522 5.246 0 1 HJAF CCn1ccnc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587751623 AARQREONYWGSMB-QKKBWIMNSA-N 414.322 4.631 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587763639 KSGTXXLZXXMONR-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)nn2C)N1 587767294 XZDIWBNXYHQWRL-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807005 KMEABMPRDHHVCZ-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF COc1cccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587933009 YDONINJFWSZOSG-UHFFFAOYSA-N 401.182 4.823 0 1 HJAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587938681 YRBVXXVCKYGUEF-FVMDXXJSSA-N 400.784 4.961 0 1 HJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OC)c(OC)c1 618005077 OOGINGJSWXYQQF-INIZCTEOSA-N 413.499 4.525 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1cc3cc(Br)cnc3o1)N(C)[C@H](C)C2 962560424 CAJCNWCKWRMFKM-ADLMAVQZSA-N 417.303 4.573 0 1 HJAF Brc1ccc(C[C@]2(c3ccccc3)NCCc3nc4ccccn4c32)cc1 962985847 HZKSDHSNAPTMAD-HSZRJFAPSA-N 418.338 4.729 0 1 HJAF Cc1ccc([C@@]2(c3ccc(F)c(F)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1F 963025079 JJWCVMFCLKTYME-BZQUYTCOSA-N 422.450 4.758 0 1 HJAF C[C@]1(CCCC(F)(F)F)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190873 YAOQGEBAWIGTSZ-QMTHXVAHSA-N 403.750 4.906 0 1 HJAF CCCC[S@@](=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N 1772609122 MWJPYCGSQKOHES-HHHXNRCGSA-N 414.581 4.972 0 1 HJAF COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc4ccccc4c3)C2)cc(OC)c1OC 1857539728 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COc1ccc(COc2cc(Cl)cc(Cl)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)cc1 29412237 KNXFUSHXTLKHKG-RUBBHVMPSA-N 423.292 4.661 0 1 HJAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@H](CC(=O)O)CN4)cc3)no2)cc1 35968411 DOAHOEVWZUKZMM-DYESRHJHSA-N 405.498 4.727 0 1 HJAF O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1 38140964 VTWUFVAKJVRFNV-JKDFXYPNSA-N 402.368 4.527 0 1 HJAF CCOC(=O)[C@@H](CC)Oc1ccc(NC(=O)COc2ccccc2[C@H](C)CC)cc1 95558793 ZBVIBDLGVQMGFS-DYESRHJHSA-N 413.514 4.938 0 1 HJAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3cccc(Cl)c3F)ccc1O2 95571629 HPIQWCZVOWLGJL-JOCHJYFZSA-N 410.832 4.849 0 1 HJAF CC(C)(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 168143483 QJJZGLLIFQDTQD-UHFFFAOYSA-N 412.392 4.515 0 1 HJAF COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2 473130849 LWOIITKSUXALHD-UHFFFAOYSA-N 403.457 4.568 0 1 HJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586908511 RNMQWDRQQLCUPF-MRVPVSSYSA-N 413.193 4.925 0 1 HJAF CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586953317 LRHQOLMXGJPSMD-UHFFFAOYSA-N 412.540 4.785 0 1 HJAF Cc1nc(COc2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)cs1 587020023 CFSCNYHXOABTTL-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587071111 WAPMBENWCCKHQV-SNVBAGLBSA-N 404.770 4.550 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(Br)c2[nH]1 587114280 RTQFLUHMODTADL-NSHDSACASA-N 402.189 4.726 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COC(F)(F)F)[nH]c12 587123214 HETOBEWCNWGXQA-UHFFFAOYSA-N 403.282 4.870 0 1 HJAF Cc1cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 587153583 UWQXNNWYUOLEBQ-UHFFFAOYSA-N 416.485 4.945 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(Br)cc41)[C@@H](C2)C3=O 587416634 DRJLNPRQKCYKJP-KSFYIVLOSA-N 424.294 4.918 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1Cl)([C@@H]1CCOC1)[C@@H](C2)C3=O 587418818 AZBSQUHNXPSDOW-PTPDTQQLSA-N 405.277 4.681 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CN(C(c4ccccc4)c4ccccc4)[C@@H]1C)[C@@H](C2)C3=O 587439095 TVAOAIZMPAEFDA-DCMIEBIUSA-N 411.501 4.675 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1csc(COc4ccc(Cl)cc4)n1)[C@@H](C2)C3=O 587450861 LJTXZOPZGYQWPU-YCRPNKLZSA-N 413.882 4.873 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3occc3C(=O)O)c1)CC2=O 587484108 RULGYFWCUSEMKS-NRFANRHFSA-N 422.433 4.921 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C(=O)OC)cc3)n1)CC2=O 587489764 WCZLYUIHPXQWCT-HSZRJFAPSA-N 417.461 4.900 0 1 HJAF CCOC(=O)Nc1snc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587537646 JNHMKWQBHSWCQK-OAQYLSRUSA-N 400.500 4.779 0 1 HJAF CCn1ccnc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577705 OMFVADNESSNUAD-BWKNWUBXSA-N 412.445 4.514 0 1 HJAF CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601897 GCUOIIFRJUARBS-WRPTXKBJSA-N 422.477 4.950 0 1 HJAF COC(=O)c1ccc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587694706 QDVBKLMMSFZNEM-VVVCHXIZSA-N 412.686 4.652 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C[C@H]2F)N1 587736529 AVEOLUYINIWZQH-IQVOZAENSA-N 421.329 4.562 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2NC(=O)C(C)(C)C)N1 587741477 HPBQSIZWSSWNGY-PIGZYNQJSA-N 420.326 4.591 0 1 HJAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2cnn(C)c2)c1 587757289 GWPWIQCWLURBDV-LRTDBIEQSA-N 414.322 4.921 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)cc2)N1 587760348 PFFIVQYXIYKTGP-FKIZINRSSA-N 400.295 4.612 0 1 HJAF Cc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587765014 BDQVDLYCLWTSSR-HNNXBMFYSA-N 403.339 4.927 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587765456 CJZJQLVMHQGUJN-YMRXKLBXSA-N 413.331 4.563 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@@H]2CCCNC2)N1 587789138 ADDWVTRJCKGIEU-YBOAYWMSSA-N 417.366 4.560 0 1 HJAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807756 NAIMQFFJNPPCLM-DGCWBMGLSA-N 420.322 4.685 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587830557 VKFCEZLBMWKREL-LHSJRXKWSA-N 420.322 4.848 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC(=O)N(C)C)cc2)N1 587847610 UWBQQVMCKZWHBT-ADLMAVQZSA-N 423.351 4.986 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3sccn23)N1 587853536 ACPAYMOPYSMUHV-JMCQJSRRSA-N 400.704 4.574 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3sccn23)N1 587853573 AKMRQSCMLDUJPS-BCTVWOGZSA-N 414.731 4.749 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccs3)CC2)N1 587855017 VFRUKZWOCRKBEA-ZDUSSCGKSA-N 409.368 4.675 0 1 HJAF Oc1ccc2cc(-c3cc(I)c(O)c4ncccc34)oc2c1 653751705 JZYWKPIRHMXZAH-UHFFFAOYSA-N 403.175 4.664 0 1 HJAF Cc1c(Br)cncc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962691635 AEYZQTJQJAFJGF-DJJJIMSYSA-N 407.352 4.745 0 1 HJAF CCC[C@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963614110 WFLLZQWRVDEGBZ-BCHFMIIMSA-N 408.586 4.555 0 1 HJAF NCc1cc(Sc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1 1857546331 VVPGEFWZAXBZHR-UHFFFAOYSA-N 403.429 4.963 0 1 HJAF CC[C@H](O)c1ccc2c(-c3cccc(C(N)=S)c3)cn(CC(CF)CF)c2c1 1857577125 BSQWVYQRUGHOLM-NRFANRHFSA-N 402.510 4.941 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]1C2 2356718830 HNMHZCNKQFPENH-ITTMWUIUSA-N 414.542 4.581 0 1 HJAF O=c1c(-c2ccco2)nc2ccccc2n1[C@@H](c1ccccn1)c1nc2ccccc2[nH]1 95600745 NWGQGFXWBSXSGK-QHCPKHFHSA-N 419.444 4.566 0 3 HJAF COC(=O)[C@](O)(c1ccccc1)[C@H](Nc1ccc(OC)cc1)c1ccc(Cl)cc1 206048346 CXSJUNKKBUBEMY-GGAORHGYSA-N 411.885 4.563 0 3 HJAF CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3831452 RYMZZMVNJRMUDD-ODLHYQPQSA-N 418.574 4.586 0 1 HJAF in-vivo CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12 6748657 OWSDCALAVRWRGB-LJQANCHMSA-N 418.566 4.739 0 1 HJAF COc1ccc2cc([C@@H](C)c3nnc4sc(-c5ccccc5N)nn34)ccc2c1 28823128 BDNOCLFENVSTGG-CYBMUJFWSA-N 401.495 4.749 0 1 HJAF CC(C)(C)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131669 ADAAPCVTXUOYLW-UHFFFAOYSA-N 401.557 4.518 0 1 HJAF COc1ccc(Br)cc1Cc1cc(OC)c(OC)cc1Br 53296715 KNLALVCDICTBTR-UHFFFAOYSA-N 416.109 4.828 0 1 HJAF Cn1ccc2cc(-c3cc4nc(SCP(=O)(O)O)[nH]c4cc3Cl)ccc21 68207113 XVIUZMCDOOXKNQ-UHFFFAOYSA-N 407.819 4.602 0 1 HJAF COc1cc(-c2ccc(N[C@@H](C)c3cccc(F)c3)nn2)ccc1-n1cnc(C)c1 72172338 XFTYFMTVGVDSQJ-INIZCTEOSA-N 403.461 4.959 0 1 HJAF O[C@@H](CNCc1ccccc1C(F)(F)F)Cn1c2c(c3ccccc31)CCCC2 73170199 KZHMJIOFTFGRJL-KRWDZBQOSA-N 402.460 4.690 0 1 HJAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)C1 82142362 HRMDLDPDLNKBOB-FCGDIQPGSA-N 410.562 4.870 0 1 HJAF Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2C[C@H]2CCCO2)o1 82188390 IVNBFQDPMMUPOR-QFBILLFUSA-N 417.513 4.789 0 1 HJAF Cc1cc(-n2sc(-c3c(F)cccc3F)nc2=O)cc(C)c1OC(F)(F)F 103190983 OSESMXIFQNJUSU-UHFFFAOYSA-N 402.344 4.755 0 1 HJAF CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1C)C2 147052121 CBGFCMASFKTGNO-UHFFFAOYSA-N 419.477 4.733 0 1 HJAF CC(=O)c1cccc(NC(=O)c2cc3cc4cc5c(cc4nc3s2)OCCO5)c1 169340900 OKBGVXUVEXFWSK-UHFFFAOYSA-N 404.447 4.676 0 1 HJAF O=[N+]([O-])c1cnc(Nc2ccc(Cl)cc2Cl)nc1Nc1cc(C2CC2)[nH]n1 203006878 PABIHBFZPHSJNK-UHFFFAOYSA-N 406.233 4.779 0 1 HJAF CCOc1ccnc(COc2ccc(C(C)=O)cc2-c2ccc3c(c2)CCNCC3)c1 205448326 HFPHJFBAGWOOFH-UHFFFAOYSA-N 416.521 4.617 0 1 HJAF Cc1cc(N[C@H](CC(C)C)C(=O)NCc2cccs2)nc(Nc2ccccc2)n1 206774198 ZSMPCAZRSKLEJO-LJQANCHMSA-N 409.559 4.733 0 1 HJAF Oc1cccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 586896344 BCVDHLUQVXNJSG-UHFFFAOYSA-N 401.182 4.715 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 586962103 UQMYLXRKJDAKAD-SVIJTADQSA-N 417.481 4.536 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)cc(F)c2[nH]1 586979904 GCAWORUQRGQKFR-UHFFFAOYSA-N 413.630 4.518 0 1 HJAF Brc1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc2c1OCCO2 586999757 BJONFWZNKIHHDT-ZZXKWVIFSA-N 408.255 4.815 0 1 HJAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587093994 XUZRCBUANPWEJN-QWRGUYRKSA-N 415.824 4.683 0 1 HJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587113973 PXHFFGJRWYHFTE-HNNXBMFYSA-N 402.464 4.680 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1 587124227 MOJZEODHBJUUOD-LHLIQPBNSA-N 418.192 4.636 0 1 HJAF O=c1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171244 JZAUKERNRULJEL-UHFFFAOYSA-N 406.314 4.572 0 1 HJAF CCn1ncc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334505 UWFXCQIEWDWWIR-NQIIRXRSSA-N 400.837 4.675 0 1 HJAF Cn1ncc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc21 587336792 AQHVPLSCIUDUTI-UPVQGACJSA-N 402.425 4.692 0 1 HJAF COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587413353 HAVIIYFLLQYYQY-LJQANCHMSA-N 419.506 4.977 0 1 HJAF COc1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587444276 SNRXUOLFWNSJMJ-BWKNWUBXSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCC[C@H]1CC(C(=O)N(CC)CC)C2 587466713 BBMVPDXLWOKSCU-BTYBSCOISA-N 413.558 4.743 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(OC)cc13)CC2=O 587486491 UGQUQGPFJFDOPL-HXUWFJFHSA-N 423.465 4.718 0 1 HJAF C[C@]1(c2cccc(NC(=O)C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500438 OYHNFLNFAUVBKO-OAQYLSRUSA-N 403.400 4.947 0 1 HJAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]c1Br 587539571 FINRTSKXUFYTKF-JXFKEZNVSA-N 414.255 4.668 0 1 HJAF CCc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575854 DSCUWBAGYQXYHR-RCZVLFRGSA-N 417.461 4.704 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594728 IDLANHKBXXRNRC-RCZVLFRGSA-N 418.445 4.511 0 1 HJAF Cc1cccc(C)c1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655938 ITZIZTSAOAWWLD-UHFFFAOYSA-N 420.415 4.678 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587769071 MQXSQTUCGFPRNG-WYRIXSBYSA-N 401.279 4.585 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cnccn2)N1 587774309 MFIYXKIVBRAICN-MPBGBICISA-N 414.278 4.794 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798613 PKYBZAFXHIFHSF-RQUSPXKASA-N 406.295 4.510 0 1 HJAF CCOc1c(OC)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587803591 XPCJCAWZFAYOIQ-JEOXALJRSA-N 424.310 4.628 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1 587836297 ZSMUAFPRKHWBEP-JEOXALJRSA-N 406.295 4.857 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1cccc(C)c1 587858341 FTAMPFAJWSVBHJ-UHFFFAOYSA-N 418.280 4.843 0 1 HJAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(I)c2[nH]1 587930656 OXCVFCPRUGIHBZ-KPZWWZAWSA-N 404.251 4.621 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c1 587931588 BDRCONHZWVKUFA-UHFFFAOYSA-N 402.450 4.717 0 1 HJAF COc1c(F)cccc1[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962649279 ZWFAYBHORPKWSK-HFZDXXHNSA-N 402.513 4.845 0 1 HJAF CCOc1c(Cl)cccc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962698663 NORFUJIYLSEYSQ-JKSUJKDBSA-N 417.786 4.585 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cc(F)cc(Cl)c1)(C1CCCC1)NCC2 962924529 KLYGEZFZTCQWHP-QHCPKHFHSA-N 400.925 4.760 0 1 HJAF CC(C)(C)OC(=O)N1CCC=C[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962991925 GBSCXWZCVUOGSP-HSZRJFAPSA-N 411.571 4.594 0 1 HJAF COc1cccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c12 1857613879 KCZNWOQJHMQCQM-ZROIWOOFSA-N 415.496 4.760 0 1 HJAF CC1=C(CCC(=CC[C@H](O)[C@@H]2COC(=O)C2)CO)[C@]2(C)CCCC(C)(C)[C@@H]2CC1 2356460629 DEISXVKTBRGZKW-RHQSAMMMSA-N 404.591 4.942 0 1 HJAF Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(OC(F)F)cc1 13686897 FEOXOHPXLUFMCN-PKOBYXMFSA-N 403.498 4.601 0 3 HJAF CC[C@H](CO)Oc1cc(NC(=O)c2ccc(Cl)cc2)c2ncn(C(C)C)c2c1 61949082 XXPLBAKMURPFCJ-MRXNPFEDSA-N 401.894 4.673 0 3 HJAF COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C 602050 VXLRYJNESHCVDX-UHFFFAOYSA-N 401.547 4.974 0 1 HJAF investigational CCN(CCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC 3782787 INXRDTYXVGUGFN-SFHVURJKSA-N 411.542 4.760 0 1 HJAF CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ccccc2C(=O)O)s1 13739753 TYCBTEDILWDLIL-UHFFFAOYSA-N 404.919 4.846 0 1 HJAF CCOc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]cc(C)c2CCC(=O)O)c1 13802876 OYFXUFAPLNTDRA-BKUYFWCQSA-N 416.477 4.899 0 1 HJAF COc1ccc(SC[C@@H](c2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 13829882 BXDIWBRDIVKLTH-QHCPKHFHSA-N 412.599 4.719 0 1 HJAF Cc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1OCCCN1CCN(C)CC1 23361029 BUXJCSKEQCGFQR-UHFFFAOYSA-N 420.601 4.852 0 1 HJAF CCOP(=O)(OCC)C(CCC(=O)c1cccnc1)P(=O)(OCC)OCC 26028259 RUPZTPGLZGWOON-UHFFFAOYSA-N 421.367 4.903 0 1 HJAF O=C(CN(CC1CC1)C(=O)c1ccc(-c2ccccn2)cc1)Nc1cc(F)cc(F)c1 72124847 KDEHYOONMCWQSR-UHFFFAOYSA-N 421.447 4.518 0 1 HJAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCc1ccccn1 82188696 QOLNVANHCUHTDT-GOSISDBHSA-N 400.530 4.803 0 1 HJAF C[C@@H](Nc1ncnc2ccc(OCCCCCCC(=O)NO)cc12)c1ccccc1 141737519 WQSCNWMSSLOMRV-QGZVFWFLSA-N 408.502 4.638 0 1 HJAF CC(C)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709468 ARNZJDFOEUZDOY-MAUKXSAKSA-N 421.463 4.591 0 1 HJAF CC(C)[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CNC[C@@]12CCCc1ccccc12 200360776 ZUIUWQIQNSLVIX-IFDOYJJGSA-N 416.609 4.911 0 1 HJAF CC(=O)N1[C@H]2CC[C@H]1c1c(-c3ccc(F)cc3)nn(Cc3ccc(F)cc3F)c1C2 204897823 HRNJZNLDXWNEHJ-ICSRJNTNSA-N 411.427 4.624 0 1 HJAF C[C@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1 223678808 NTHNCFONTLLTMN-MAUKXSAKSA-N 416.554 4.700 0 1 HJAF COc1ccc(Cl)cc1Nc1nnc(-c2csc(NC(=O)C(C)(C)C)n2)o1 299837717 PGHAPOMUONNUTB-UHFFFAOYSA-N 407.883 4.583 0 1 HJAF CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473162348 ABBMJPROVMDPMT-DYXWJJEUSA-N 402.494 4.706 0 1 HJAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1C(F)(F)F 473171649 UIVLQAWXTZCEKE-UHFFFAOYSA-N 414.339 4.660 0 1 HJAF Clc1cnc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587003356 UGLDOYHPUFWABR-UHFFFAOYSA-N 411.090 4.620 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1 587044948 XYWQFAGQJXAQOG-UHFFFAOYSA-N 409.269 4.660 0 1 HJAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 587335428 WSTMHKXVTMENHS-JTHBVZDNSA-N 424.811 4.748 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(C(=O)O)CC2)[C@@H]1c1ccc(F)cc1 587354975 SDTUZASBZGNIJA-PXDATVDWSA-N 418.420 4.651 0 1 HJAF COc1cc(Br)cc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587372277 PAJMVIWXVNJDSP-FQEVSTJZSA-N 416.271 4.975 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)C 587379003 YXKJAARRWNJUEU-QGZVFWFLSA-N 420.303 4.842 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc(Br)sc31)O2 587413653 IEUUKYXLTNHWOM-SFHVURJKSA-N 407.333 4.629 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Nc3ccc(Cl)cn3)s1)O2 587414689 UWWDQJSKGPONHB-IBGZPJMESA-N 400.891 4.706 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CN(C(c4ccccc4)c4ccccc4)[C@H]1C)[C@@H](C2)C3=O 587439104 TVAOAIZMPAEFDA-NIIFMQKASA-N 411.501 4.675 0 1 HJAF CCc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587614001 ZXJDVNORVFPNFV-OFVILXPXSA-N 414.413 4.764 0 1 HJAF Nc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](N)C(=O)O 587626151 PXLFEZJKARWGSL-CQSZACIVSA-N 417.309 4.539 0 1 HJAF CC(C)n1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587709972 PMBRYMDBHCSSAC-QLJPJBMISA-N 420.248 4.706 0 1 HJAF COC(OC)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587726494 JCDLVYJQDLXROZ-MGNBDDOMSA-N 412.274 4.642 0 1 HJAF COCC[C@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587730779 KRIQJTHPOKIBAN-RNODOKPDSA-N 410.302 4.736 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1 587761826 WQSBSOLABRLIKS-YEJXKQKISA-N 414.322 4.921 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794820 GZLQVPIRTBDEBA-JTBRQZTESA-N 412.343 4.707 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2 587835372 WCOSUWQKGMGDDD-JGRMJRGVSA-N 420.322 4.934 0 1 HJAF CCc1ccc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837975 LWMRGGOTZKSOJN-BIBXISHDSA-N 416.290 4.881 0 1 HJAF Cc1csc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587851185 HMJUMKSCDWOKPL-DYZYQPBXSA-N 406.324 4.767 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1cc(OC)c(Cl)cc1OC 587869708 PLYMLTSPUGZEEZ-UHFFFAOYSA-N 419.840 4.839 0 1 HJAF COc1cccc2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12 587869710 PNVPHJDJVBGYSO-UHFFFAOYSA-N 406.389 4.580 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1cc3cc(Br)cnc3o1)N(C)[C@@H](C)C2 962560427 CAJCNWCKWRMFKM-VOJFVSQTSA-N 417.303 4.573 0 1 HJAF COc1ccc2c(c1OC)[C@](COCc1ccccc1)(C(F)(F)F)N(C)[C@H](C)C2 962622112 JCXMTCQOIRGOAS-QVKFZJNVSA-N 409.448 4.555 0 1 HJAF Fc1ccc(N2CCC3(CC2)c2cccc(F)c2CCN3[C@H]2CCSC2)cc1F 962720509 ULQABNDEEHCWRS-KRWDZBQOSA-N 418.528 4.963 0 1 HJAF COC(=O)c1cc(Br)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963107354 MIUMGCYOKOQUPA-CYBMUJFWSA-N 421.143 4.839 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1[C@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C 963280177 NNXCQFFROTXXJA-QXAKKESOSA-N 421.379 4.838 0 1 HJAF CCO[C@H](C)n1nccc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833223 SYYPFFHHDKIWFU-NSYGIPOTSA-N 416.525 4.734 0 1 HJAF CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1c(-c2ccccc2)noc1C 1772614874 YAJHDFKCHQMQDM-UHFFFAOYSA-N 408.454 4.682 0 1 HJAF COc1ccc(/C=C/C(=O)OCc2c(OC(C)C)ccc3c(C)cc(=O)oc23)cc1 1857581635 ZYMIIYGOAIZRPM-KPKJPENVSA-N 408.450 4.654 0 1 HJAF Nc1oc2c(I)nccc2c1Nc1ccc(F)c(Cl)c1 1857654849 BQQCMWQJYJYNEA-UHFFFAOYSA-N 403.582 4.551 0 1 HJAF CC(C)C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 13682640 BGZKIXYCRZWYDF-MRXNPFEDSA-N 402.930 4.623 0 3 HJAF Cc1ccc(CNC(=O)CCn2cc(-c3ccc(F)cc3)nc2-c2ccncc2)cc1 36387380 DNYKSJJACGVCDR-UHFFFAOYSA-N 414.484 4.766 0 3 HJAF COc1cccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1 61903528 YBCAJTRGFHORHZ-SANMLTNESA-N 414.505 4.534 0 3 HJAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCC[C@H]1O 773348 CUNQDEORRYQIQP-RTBURBONSA-N 424.472 4.580 0 1 HJAF CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@@H]1CNc2ccccc2O1 13780740 DUHMPJNIEFUIMW-QFIPXVFZSA-N 424.491 4.876 0 1 HJAF CC1=C(Cc2cc(CO)cc(O)c2OS(=O)(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 14710104 ILWBTSYVQZWXFP-SIKLNZKXSA-N 424.559 4.552 0 1 HJAF biogenic CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCC(Cc2ccccc2)CC1 20465800 MWGSNDOJEJJOEV-UHFFFAOYSA-N 414.958 4.768 0 1 HJAF C[C@H]([C@H](O)c1ccc(O)c(-c2ccccc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952058 GOVLPBZWZKQMJJ-CJAUYULYSA-N 421.512 4.604 0 1 HJAF O=C(CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1)c1ccc(F)cc1 40876209 BKOMAQMRYJRISX-UHFFFAOYSA-N 423.296 4.782 0 1 HJAF COc1ccc(CCN[C@H](C)COc2c(C)cc(Br)cc2C)cc1OC 66166920 OJCTYKMBYFQSLO-MRXNPFEDSA-N 422.363 4.683 0 1 HJAF CCCCCCN(C)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 82067112 DDBAPSNODSYPOD-UHFFFAOYSA-N 411.506 4.894 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2cscn2)c1 167132575 REGDETKFRWUISP-HNAYVOBHSA-N 408.523 4.937 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167322455 RRXDXVXPVJIGDF-AUUYWEPGSA-N 423.538 4.640 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(OC[C@H](C)O)c2)cc(-c2ccc3ncsc3c2)n1 205833887 KZOODEXQLVTCCJ-GJZGRUSLSA-N 420.538 4.994 0 1 HJAF Cc1ccc2nc([C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]43)[nH]c2c1 207782562 BLBYVQATGPHXAX-VJBWXMMDSA-N 424.460 4.585 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896934 MJIVMTNKDRITTE-UHFFFAOYSA-N 421.522 4.681 0 1 HJAF CC(=O)N[C@@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)c1ccc(Br)cc1 586984928 JSCIZOBYKBEAAF-INIZCTEOSA-N 406.711 4.707 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cc(F)nc(N4CCCC4)c3)nc3ccc(O)c1c23 586988580 MYCHKWTYBVXVER-UHFFFAOYSA-N 411.436 4.953 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccnc(OC)c4[nH]3)c(Cl)cc12 587077827 AJXJFHFMILHDRD-NSHDSACASA-N 413.861 4.819 0 1 HJAF COc1cc(F)ccc1-c1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587157520 ASJAPBMHATVPHS-UHFFFAOYSA-N 402.351 4.729 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587233320 LXIUXCNVCKZWMF-VHSXEESVSA-N 420.382 4.773 0 1 HJAF CCOC(=O)[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345491 FOGJJESQGLSFEM-XUZZJYLKSA-N 412.457 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccccc14)[C@@H](C2)C3=O 587432623 XOEPEUBFBSUYHZ-AOMKIAJQSA-N 405.450 4.922 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O 587444977 SVKQPGWSCQYVFC-MBSDFSHPSA-N 421.493 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1cccnc1)(c1ccccc1)CC2=O 587470410 MONCBUGSXYHKCZ-RUZDIDTESA-N 416.477 4.629 0 1 HJAF C[C@@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543415 BSDGVVZYJRKOPJ-OXQOHEQNSA-N 402.233 4.971 0 1 HJAF C[C@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554960 YXAIXAGUXUNCSL-GCJKJVERSA-N 406.825 4.799 0 1 HJAF COc1ccc2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587587665 HHBRATJSHYLYEQ-URXFXBBRSA-N 401.418 4.759 0 1 HJAF CC(C)(C)OC(=O)CC12CC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2 587591694 DIXZGNBRKPKGNO-GILMNPTASA-N 422.477 4.625 0 1 HJAF COc1ccc(OC)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600649 OVLISCYAOGVXJY-RCZVLFRGSA-N 418.445 4.603 0 1 HJAF C[C@](O)(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587621811 JTCKCPDQBIRRLQ-NSHDSACASA-N 416.119 4.595 0 1 HJAF O=C(Cn1ccc2ccccc21)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657557 ZNPYWDROIBAYJC-UHFFFAOYSA-N 415.399 4.637 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697699 SXAVNNYLKUVJDI-VVVCHXIZSA-N 419.121 4.665 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(F)F)c2)N1 587718581 OBZNCTXFKKYRGK-YPMLDQLKSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC3CCCCC3)CC2)N1 587769241 NMTKIGHWCIQSLR-HNNXBMFYSA-N 409.387 4.994 0 1 HJAF CCOc1cc(OC)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801896 OSTRDEJVRQPCRU-YUNKPMOVSA-N 408.311 4.793 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587845347 DVDUFCCRPZTTMY-YPMLDQLKSA-N 412.324 4.601 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCO[C@@H]1c1ccccc1 587861662 BHQFNOXLCGPTIS-OXJNMPFZSA-N 416.399 4.996 0 1 HJAF Cc1cc2c(cc1F)[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(C)C)C1)NCC2 962377598 RVLRLVYQXWAGEM-NOZRDPDXSA-N 410.533 4.932 0 1 HJAF CCOC(=O)[C@]1(c2ccc(Cl)cc2F)c2ccsc2CCN1Cc1ccco1 962702801 GXXYTCFGZWWNNX-NRFANRHFSA-N 419.905 4.999 0 1 HJAF Cc1ccc(-c2noc(C)c2[C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962731778 UKHRDRSTTLDWAJ-YLJYHZDGSA-N 400.400 4.694 0 1 HJAF COc1cccc2cc3c(nc12)[C@]1(CN(Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1C)NCC3 963045445 FQJOTAGDOARLGV-UDOOFANFSA-N 415.581 4.761 0 1 HJAF COc1ccccc1-c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963220815 FOKGLVCGKMCSEO-NOZRDPDXSA-N 410.473 4.599 0 1 HJAF Clc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 1857628544 QCQQQZSWJWFIFV-QFIPXVFZSA-N 423.940 4.668 0 1 HJAF CCc1nnc(SCC(=O)N(C)c2ccccc2)c2cc3sc(Cl)cc3n12 1857748333 VMQAVVYJFMHKMT-UHFFFAOYSA-N 416.959 4.915 0 1 HJAF S=C1NN2C(c3ccccc3)=C[C@@H](c3ccc(Br)cc3)N=C2S1 1857758574 HVBPVTXWTCOUNT-AWEZNQCLSA-N 402.342 4.739 0 1 HJAF C[C@]12CC[C@H](O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@@]2(C)CC[C@@H]13 2356336364 LZBMDSMLVLGIEW-FGQJGJKSSA-N 412.570 4.673 0 1 HJAF CC1=C[C@H](CN2C(=O)C(C)=C(C)C2=O)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356527094 WDKKSTLUZNHEID-NJYVYQBISA-N 419.569 4.974 0 1 HJAF O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CC=C(c2ccccc2)CC1 13823500 OKJRBFNMYSRTKZ-UHFFFAOYSA-N 418.562 4.918 0 1 HJAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCN1CC=C(c2ccccc2)CC1 26726315 YPQDXBWZQHZFFO-UHFFFAOYSA-N 419.472 4.870 0 1 HJAF O=C(C1=NS(=O)(=O)c2ccc(Cl)cc2S1)c1ccc(Cl)c(Cl)c1 31910165 BLWVFDOGVHTGIX-UHFFFAOYSA-N 406.699 4.723 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC[C@H](C)c3ccccc3)ccc21 73224423 YDSFNWFKRFQMIV-SFHVURJKSA-N 405.538 4.995 0 1 HJAF COc1ccc(OC)c2sc(NC(=O)c3ccc(COc4ccccc4)o3)nc12 95755612 WJIJUICESITAPQ-UHFFFAOYSA-N 410.451 4.738 0 1 HJAF COc1ccc(Nc2cc(/C=C/c3ccc(O[C@@H]4CCCCO4)cc3)nc(N)n2)cc1 96914146 LTMIJQLGRMQRHY-NPOAWEEOSA-N 418.497 4.887 0 1 HJAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccnc2)CCC1 103948817 MREDMAODVDRCKV-IBGZPJMESA-N 407.474 4.776 0 1 HJAF COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](C(C)C)CC[C@@]3(C)CCC[C@](C)(O)[C@H]23)cc1O 238781763 QKFIDIQJEROXCT-PGUZGCDDSA-N 416.558 4.949 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3ccc(F)cc3)CC[C@H]12 253898167 QRXQUYSQEGNIRQ-SMIYNLNTSA-N 410.533 4.678 0 1 HJAF Cc1cc(-c2cccc(SCC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1 473120517 NWTCVMKPMDPIIM-UHFFFAOYSA-N 413.506 4.640 0 1 HJAF COc1ccccc1CNC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586997666 VGYCZWQNJXORKQ-UHFFFAOYSA-N 422.484 4.622 0 1 HJAF Cc1nc(C)c(Cc2nc3c(Br)ccc(Br)c3[nH]2)s1 587011830 LEGHMUZVUKJCGJ-UHFFFAOYSA-N 401.127 4.752 0 1 HJAF Fc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1-n1cccn1 587018127 WJJPVQWWGPCNHH-UHFFFAOYSA-N 403.442 4.613 0 1 HJAF CC(C)Oc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br 587020898 CIQFSLJGKNIREC-UHFFFAOYSA-N 418.320 4.637 0 1 HJAF CCOC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116048 LKVKQBNAMUTXAB-UHFFFAOYSA-N 414.181 4.583 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(F)c1 587145004 QDCSXKUCJULBAF-UHFFFAOYSA-N 415.424 4.927 0 1 HJAF COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(I)c1 587180718 XVWRVMGHOLITRZ-UHFFFAOYSA-N 420.037 4.545 0 1 HJAF Cc1cccc(NC(=O)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1C 587239712 VMMYLIQVVXTUEV-UHFFFAOYSA-N 416.319 4.911 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 587342523 FHJWABIUOYICSK-XMMPIXPASA-N 417.480 4.925 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc4c(s1)C[C@@H](c1ccccc1)CC4)[C@@H](C2)C3=O 587451081 HUSQCTPNVHVVRK-GJYADEQXSA-N 403.503 4.913 0 1 HJAF C[C@@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611153 FSHCQMQCJBAOID-QPPBQGQZSA-N 421.518 4.927 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cncc2Br)N1 587734864 SCMTZJSXJZYEPU-ZIDLFYJRSA-N 418.079 4.508 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587758999 DSTBFEJCJPFJQT-WCJKSRRJSA-N 417.366 4.860 0 1 HJAF CCn1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 587759526 UMLUCNKPMZYXON-FKIZINRSSA-N 402.311 4.756 0 1 HJAF COC(=O)Cc1ccccc1-c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587783148 GSRODAWUPOKTTN-UHFFFAOYSA-N 416.433 4.524 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587789153 AFWDMJRMXQTKPC-WSVYEEACSA-N 417.322 4.616 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800458 XLICQWLJOUEFJC-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF COc1ccc2c(c1)OCC([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 587835597 QJQXOEAYMHLDOW-PRWKNARSSA-N 404.279 4.648 0 1 HJAF COc1ccc(C2(c3nc4ccc(OCCN(C)C)cc4[nH]3)CC3(CCC3)C2)cc1 587935585 OLZBNZWWFOZSSF-UHFFFAOYSA-N 405.542 4.762 0 1 HJAF CSCc1cnc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)s1 962629904 CUVQHNYBVHBNEP-KNQAVFIVSA-N 407.608 4.842 0 1 HJAF COC(=O)c1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(C)c1 962648822 YMOBIHKKSPYMBU-BVAGGSTKSA-N 412.533 4.618 0 1 HJAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCCN3CCCC3)c1CC2 1772582141 QLJPGTMSZCSNEH-UHFFFAOYSA-N 417.553 4.915 0 1 HJAF CC(C)N1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 1772583842 OMMWMKQWLHMORU-PXDATVDWSA-N 419.569 4.788 0 1 HJAF Cc1oc(-c2cccs2)nc1CN1CCC(CO)(CCOc2ccccc2)CC1 11949311 RTWCBKZMUNVXAQ-UHFFFAOYSA-N 412.555 4.755 0 3 HJAF CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H]3CCC[C@@H]1[C@@H]32 206955009 FFNGJJFOCSDQBI-XCHBDBKASA-N 411.567 4.634 0 3 HJAF N=C(N)c1cccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)cc3ccccc32)c1 3831858 KMPZXPPNVVWCSE-UHFFFAOYSA-N 416.912 4.557 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@@]12C 14409471 QHWXZKKFMSATQN-YJYCTBIZSA-N 420.590 4.979 0 1 HJAF biogenic CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1 14979912 PMVVOJDCVSDECR-UHFFFAOYSA-N 412.511 4.516 0 1 HJAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1 82082674 VUWVDXKMUMOBHA-GOSISDBHSA-N 404.532 4.671 0 1 HJAF CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)CC1 82151663 KKQYZEQEPMIMHU-UHFFFAOYSA-N 410.537 4.924 0 1 HJAF O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccs1 95575565 VFIVFVFGIXKVGX-UHFFFAOYSA-N 406.551 4.688 0 1 HJAF C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ncccc1-c1ccccc1 96175604 SRNAGDGPIQRAFX-QZTJIDSGSA-N 405.473 4.602 0 1 HJAF CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2ccc(-c3ccc(F)cc3F)cc2)cc1 103166866 OAFQBAPOIQMDSJ-UDWIEESQSA-N 414.429 4.661 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1F)c1cccs1 103190385 JXMDGADBROAVJE-OAHLLOKOSA-N 408.771 4.647 0 1 HJAF CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(F)cc1 139051574 VPIHARAGAUQAPK-SFHVURJKSA-N 400.475 4.783 0 1 HJAF CC(C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255212526 GMAUEXPAYZYHFY-MEIUILHBSA-N 404.635 4.940 0 1 HJAF O=C(O)CCCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 473109580 SXDADUWGFVNWQM-UHFFFAOYSA-N 412.438 4.675 0 1 HJAF COc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)ccc1Br 586975730 FBHMGRVQJSTGHX-HYXAFXHYSA-N 409.081 4.662 0 1 HJAF CC(C)(C)OC(=O)[C@@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989221 BQCBLOIJQDEXGO-SANMLTNESA-N 415.489 4.989 0 1 HJAF COc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1F 587059165 UNBADIBDQGHOKM-UHFFFAOYSA-N 418.255 4.894 0 1 HJAF CCOC(=O)c1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587191617 NLPLQPAGVPLHBG-LJQANCHMSA-N 409.486 4.696 0 1 HJAF CCOC(=O)Cc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 587197257 BUMMNTFFGWUVAC-QFIPXVFZSA-N 423.513 4.634 0 1 HJAF COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1OC 587229565 IBSPCNIESGJINM-UHFFFAOYSA-N 424.501 4.544 0 1 HJAF O=C(/C=C/c1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccccc1 587245290 VHNBJMVIVFCULP-CMDGGOBGSA-N 421.092 4.740 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCN(c3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1 587332086 IPMFQWJCAVKJIT-UPVQGACJSA-N 407.416 4.678 0 1 HJAF C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359428 RRGZQXMDZGNDJU-QFZRFWILSA-N 420.436 4.583 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nccc(-c3cccs3)n1)O2 587415396 ZUJYCHYKCWOUHG-IBGZPJMESA-N 402.479 4.593 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4cccc(C)c4)c1)[C@@H](C2)C3=O 587444077 SATYOZURHFPKLP-GBXCKJPGSA-N 400.430 4.712 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 587490599 YTDYATKCEPEMMH-LTQWCFAGSA-N 401.503 4.611 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC3(C[C@H]2C1)OCC(C)(C)CO3 587491026 MUKYQSFBMWCMDG-HZPDHXFCSA-N 400.515 4.638 0 1 HJAF Cc1cc(=O)oc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12 587609599 OFTNSVPMWAQHER-URXFXBBRSA-N 400.386 4.510 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2occc2Br)N1 587680851 QREVRUWEHWQKNT-ANRSDYALSA-N 403.089 4.741 0 1 HJAF COc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 587777381 GZFDSENNCZYVMC-PRWKNARSSA-N 401.279 4.769 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587796603 QFRVFJWSTUJSNR-WSVYEEACSA-N 417.322 4.616 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(Cl)nc2[nH]cnc12 587853977 CFTBDEODGBWJQY-UHFFFAOYSA-N 409.664 4.565 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1(c2ccc(Cl)cc2)CC1 587869006 WZKAVYWOPKYPQV-UHFFFAOYSA-N 421.806 4.998 0 1 HJAF CC(C)Oc1ccc(OC(C)C)n1-c1cc(Br)cnc1Br 587941436 VLIUWULFLGBHNS-UHFFFAOYSA-N 418.129 4.972 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587968184 LPYBGHHLSIGTAE-NTCAYCPXSA-N 405.523 4.917 0 1 HJAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCc2ccccc2)C1 618007178 OFZGCVFEZHLTLL-FQEVSTJZSA-N 423.944 4.832 0 1 HJAF COc1c(OCC2CC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@@H]2C 1772621560 ZGFIDLATCQDHMA-ZWKOTPCHSA-N 422.569 4.800 0 1 HJAF CC(C)c1ccc(CN(Cc2ccc(F)cc2)c2cccc(S(N)(=O)=O)c2)cc1 1857643749 HSWRIEPKZBTERP-UHFFFAOYSA-N 412.530 4.803 0 1 HJAF Clc1cc(Cl)cc(CN2Cc3cc(Br)ccc3-n3nncc3C2)c1 199735864 JNBLBJKCJLWNOT-UHFFFAOYSA-N 424.129 4.852 0 3 HJAF O=C(c1cnccn1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 3956096 JANINTLXQJLHFX-UHFFFAOYSA-N 412.537 4.666 0 1 HJAF CN1C(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)C(C)(C)C1=O 13475192 SWXXZCQUKCHKFC-UHFFFAOYSA-N 403.269 4.503 0 1 HJAF CNC(=O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729569 GZRMRLMIDYQDFM-GOSISDBHSA-N 421.368 4.557 0 1 HJAF CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)NS(=O)(=O)Nc1ccccc1 13747475 IEQLQCSXOZDDPF-UHFFFAOYSA-N 404.532 4.727 0 1 HJAF Cc1c(O)c(C(=O)CCc2ccccc2)c2oc(=O)cc(-c3ccccc3)c2c1O 14556211 LHGGPLKDYCXCEO-UHFFFAOYSA-N 400.430 4.995 0 1 HJAF biogenic Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)N23)cc1 16031687 QDZWRSVFLOXFHL-NOZRDPDXSA-N 421.500 4.955 0 1 HJAF biogenic C[C@H](NC(=O)[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 28568355 NLFQZGZNWSXJNG-HEGYVMTOSA-N 419.565 4.713 0 1 HJAF in-vivo CCCCn1nccc1[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC 38359157 BMEKUVWEUPJPMW-QGZVFWFLSA-N 404.001 4.854 0 1 HJAF COc1ccc([C@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 42964416 MYCWRRSOZISJTQ-QUCCMNQESA-N 404.919 4.640 0 1 HJAF COc1ccccc1NC(=O)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc2c1=O 49035900 NBUMBMPIVLTBAT-UHFFFAOYSA-N 403.413 4.987 0 1 HJAF COc1cccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)c1 72186347 PVQCUCQHOTZFBE-UHFFFAOYSA-N 417.431 4.691 0 1 HJAF COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 82165018 JAVQTGDIGMKUOZ-UHFFFAOYSA-N 404.445 4.971 0 1 HJAF CCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@@H](C)[C@H](C)C2=O 85834565 IGEOTNLFIQJPLF-SOUVJXGZSA-N 404.503 4.868 0 1 HJAF CCOC(=O)C(C)(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 95558337 DLVNLUUQDALXRQ-UHFFFAOYSA-N 407.466 4.578 0 1 HJAF COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 96911126 KXQWLNWCPYKMGG-IBGZPJMESA-N 403.461 4.513 0 1 HJAF O=c1cc(COc2cccc(I)c2)c2ccc(Cl)cc2o1 103264208 XHOCTYFASLOAQG-UHFFFAOYSA-N 412.610 4.630 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 116822825 QMWOOCYQPLLKKR-WOJBJXKFSA-N 409.489 4.703 0 1 HJAF COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](CF)OCC3)cc1Cl 221022444 OSXOKJIMHUNUJM-QGZVFWFLSA-N 415.896 4.802 0 1 HJAF CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)CCC(C)(C)O2 238750739 WJKQSIIVJOFWKK-MELADBBJSA-N 404.503 4.542 0 1 HJAF CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2ccccc21 473128633 DHJUHRDHIMROAQ-UWBTVBNJSA-N 420.597 4.926 0 1 HJAF Cc1cc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586958913 IZGNVZNUNKZTKM-QMMLZNLJSA-N 409.555 4.874 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c(C)c2[nH]1 587064631 DTQIRJRTTPJVFN-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF COc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(I)c1 587179596 BUUMDHDAHUXEHJ-UHFFFAOYSA-N 415.234 4.700 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)O2 587397507 BICWFFZFUJPUEI-UHFFFAOYSA-N 414.546 4.873 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1nccc3ccccc13)(c1nccn1C)CC2=O 587469795 FVYJAIZOILHPBI-RUZDIDTESA-N 413.477 4.535 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccnc1C 587512158 LMMRGUDBARYNBR-DEOSSOPVSA-N 402.494 4.834 0 1 HJAF COc1cc(Cl)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557852 PDZUHKXMVGCBHB-NQIIRXRSSA-N 400.789 4.896 0 1 HJAF CCc1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575856 DSCUWBAGYQXYHR-RDGATRHJSA-N 417.461 4.704 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1 587581406 LARBXHKMPQPXDS-JKHABCDFSA-N 404.466 4.721 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CCCCC2)n1 587582616 QJHZEOYCDDQEIM-GBXCKJPGSA-N 404.466 4.876 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Cl)c(C(=O)C(F)(F)F)c2c1 587649616 RHVSTCHNVGSGDI-UHFFFAOYSA-N 401.793 4.637 0 1 HJAF COc1ccc(Cl)c(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587657284 TYEPEDWETANTKU-UHFFFAOYSA-N 423.831 4.945 0 1 HJAF CCCCN(CCCC)c1ccc(-c2nn(C[C@@H](C)O)c(=O)c3ccccc23)c(O)c1 587661776 UKYKMAWPWRJPHL-GOSISDBHSA-N 423.557 4.557 0 1 HJAF CCOc1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC 587668746 COZMVYLILUVHNP-UHFFFAOYSA-N 404.441 4.989 0 1 HJAF CCCCc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1 587702460 XRZPANHARSTVPN-VFZGTOFNSA-N 400.723 4.931 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1 587723343 XBVYPGDBPCBKHG-ZKANADHPSA-N 400.194 4.533 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2-c2ccccc2)N1 587761747 VOBAIVKHSQREFW-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF COc1cc(C)c(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809950 VVJKJKAOHTZYCL-LRTDBIEQSA-N 422.338 4.906 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2 587829242 BLNTZPXJPLSLKR-GLXKHTEVSA-N 406.295 4.544 0 1 HJAF COc1ccc2c(c1)[C@]1(CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587835481 PBPFHSCKBWAKAR-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CCOC2)(c2ccccc2)N1 587837184 ZZJQBNIBRSOSOC-PZPWOCDFSA-N 404.323 4.793 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1 587847259 SYDAWBBWQITGFM-BBATYDOGSA-N 423.351 4.986 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1C 587864283 IZEMKCMOBBTERC-UHFFFAOYSA-N 404.388 4.995 0 1 HJAF CCc1oc2ccccc2c1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962647977 VTYCKVRCGHZAGC-DHLKQENFSA-N 400.478 4.731 0 1 HJAF Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)NCCc3c(C(=O)O)cccc32)c1 963132509 QNOAUJLWSRSNIH-VWLOTQADSA-N 418.562 4.653 0 1 HJAF CCOP(=O)(OCC)[C@@H](N(O[C@@H](C)c1n(C)cc[n+]1C)C(C)(C)C)C(C)(C)C 1857581483 VSIKVCAIEJWCGB-FUHWJXTLSA-N 418.539 4.581 0 1 HJAF O=C(O)c1cccc(-n2c(/C=C/c3cc(Cl)cs3)nc3ccccc3c2=O)c1 1857610880 LYICVLSHROHHRP-CMDGGOBGSA-N 408.866 4.969 0 1 HJAF C[C@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61896271 GZSORJPBPKEQLN-QGZVFWFLSA-N 418.337 4.530 0 3 HJAF COC(=O)c1c(O)ccc2c1c1c(n2Cc2cccc(C)c2)C(=O)c2ccccc2C1 1662844 YBRDZPRULOIWFQ-UHFFFAOYSA-N 411.457 4.625 0 1 HJAF C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1 4821878 CMUQPQFUNNJOLD-VGOFRKELSA-N 408.454 4.906 0 1 HJAF CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 26655616 HOIQGRYGNATAMY-UHFFFAOYSA-N 415.534 4.987 0 1 HJAF CC(C)=C[C@@H]1C/C(=C/CC/C(C)=C/CC/C(C)=C/C[C@@H](O)C2=CC(=O)OC2)C(=O)O1 38899731 VKOBTBGPXFPMMX-QYUFULEUSA-N 414.542 4.882 0 1 HJAF CC(C)[C@H]1C[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40860569 SYGZEVSXMXZNJX-ZIAGYGMSSA-N 422.620 4.684 0 1 HJAF CN(C)c1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1 45334756 KLQVJFKSOWUSNQ-UHFFFAOYSA-N 419.594 4.876 0 1 HJAF Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1C 63539475 IRLYGKITXNMDSM-UHFFFAOYSA-N 414.255 4.606 0 1 HJAF CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2C[C@H]1CCCO1 82186752 RAXULERQUIUGFB-AZUAARDMSA-N 407.562 4.954 0 1 HJAF Brc1cccc(Nc2ncnc3cc4c(cc23)OCCSCCO4)c1 84732963 RLLLZDOUARGSHF-UHFFFAOYSA-N 418.316 4.640 0 1 HJAF CCC[C@H](CCc1ccccc1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 95594563 RNPAXTSSHRVUJY-PKTZIBPZSA-N 421.537 4.595 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1 103289918 IEQFSNFNURWUPF-HNNXBMFYSA-N 409.158 4.693 0 1 HJAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)cc4)c3C2)nc1 114998583 KPQNVEFDANSNEJ-OAHLLOKOSA-N 413.447 4.935 0 1 HJAF CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3cc(F)ccn3)cc2)CC1 148249992 VUFZAQWIEMSGMG-UHFFFAOYSA-N 406.461 4.878 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587109335 MLLLSZZXVLXSMV-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF Cc1c(Br)cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1C 587155714 KRSFWQKHHUTAIH-LJQANCHMSA-N 402.267 4.872 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2cncnc2)[C@@H]1c1ccc(F)cc1 587345649 JGDZYFJDDDPVSQ-FJIJXJHWSA-N 404.441 4.777 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)CC2=O 587459813 IJUNIIBIDMCKJT-QFIPXVFZSA-N 418.873 4.732 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)CC2=O 587477332 QMBGUIYJMWKQSI-NPMXOYFQSA-N 403.519 4.858 0 1 HJAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602213 XHKGUMRORRAZAE-YBJNYKISSA-N 402.446 4.851 0 1 HJAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587716796 DXCUAQWIXZHCQS-LZVRBXCZSA-N 400.238 4.889 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1 587732309 JNXCBAVVEGRTTI-GIGQVBGESA-N 404.258 4.741 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587805307 TUJDDLVMROHUKG-FIKIJFGZSA-N 414.322 4.766 0 1 HJAF COc1cc(C)c(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805538 GHYJFGFJPGVEHH-YEJXKQKISA-N 422.338 4.906 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587832833 DDPNCEAPOCRJJS-DWFVZGMMSA-N 404.279 4.780 0 1 HJAF COc1ccc2c(c1)C=C([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)CO2 587833070 FHWOPHQHCZGQFQ-GIPWTMENSA-N 404.279 4.648 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCO3)N1 587835846 QUXWHZUHFJRWAI-ODXCJYRJSA-N 406.295 4.699 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cn2cncn2)cc1 587859814 JPXNNFGMGUZVRS-UHFFFAOYSA-N 414.296 4.885 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)cc1 587865198 WZPMXWCGLOZVFE-UHFFFAOYSA-N 404.388 4.995 0 1 HJAF CN(c1ccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)cc1)S(C)(=O)=O 587923941 UBPKXBMEFPGSSL-UHFFFAOYSA-N 414.552 4.804 0 1 HJAF CC(C)N1CCc2nc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)sc2C1 962713366 RLJBBFHSMFOEPL-BTYIYWSLSA-N 417.619 4.502 0 1 HJAF Cc1cc(F)cc([C@]2(c3ccc(F)c(F)c3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962934236 WQLCKLLMGOHCOR-VWLOTQADSA-N 424.466 4.552 0 1 HJAF C[C@]1(c2ccc(Br)cn2)c2ccsc2CCN1Cc1cccnc1 962992597 HPCQFZVLPRCDRG-LJQANCHMSA-N 400.345 4.622 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCCC(=O)O)c1c(C)cc(C)cc1C 963636715 RUJKKEFJLHJCSI-AVRWGWEMSA-N 411.542 4.662 0 1 HJAF O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)[C@@H]1CN2CCC1CC2 1857614349 DGWWXFCHEOPTQT-JOCHJYFZSA-N 400.469 4.635 0 1 HJAF COc1ccc(C[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857757689 OXSGFQXFJBKQHO-OAQYLSRUSA-N 412.482 4.744 0 1 HJAF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 2356464927 GGAGAVWBROLYIO-AVRDEDQJSA-N 401.547 4.702 0 1 HJAF CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)ccc1O 2356524501 GUBSLKKUDZBDAZ-LOSJGSFVSA-N 424.493 4.716 0 1 HJAF CO[C@@H](C=CCCCCCC=C(Br)Br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c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12 6748658 OWSDCALAVRWRGB-IBGZPJMESA-N 418.566 4.739 0 1 HJAF COc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 6795968 WHJXQAIPAUFHTH-UHFFFAOYSA-N 419.506 4.758 0 1 HJAF Cc1nn([C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2c1sc1ccccc12 6799142 RBOOYXFPJQGLPE-KXBFYZLASA-N 417.534 4.674 0 1 HJAF O=C1NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 13679302 XZJATQYWUWHUBJ-UHFFFAOYSA-N 411.288 4.989 0 1 HJAF COc1ccc2c(c1)C1=N[C@H](CC(C)=O)[C@H](CC(C)=O)c3c([nH]c4ccccc34)C1=N2 14515668 RQZOWBVRFRUUKC-LAUBAEHRSA-N 413.477 4.524 0 1 HJAF biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](C(C)C)n2ncc(C(=O)Nc3ccccc3)c2N1 20134934 WOYFSMOWDLRMPI-NRFANRHFSA-N 415.497 4.671 0 1 HJAF CCCCCCc1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1OC 26392482 KCPILQQRESVBSN-UHFFFAOYSA-N 413.514 4.899 0 1 HJAF Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@@]3(C(=O)O)CCC[C@H]3C)cc2)c1 27526872 MUYVMBBQJGYFGP-QRQCRPRQSA-N 401.890 4.852 0 1 HJAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccc3C)CC1)OC(C)(C)C2 27894061 QODXLSRRBXPUQY-QHCPKHFHSA-N 424.585 4.617 0 1 HJAF COC(=O)c1ccc(-c2cnc([C@H](O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29135873 GVICQYOSVKMUNL-JOCHJYFZSA-N 414.461 4.856 0 1 HJAF CC(C)N(C)c1nc2cc(-c3noc(COCc4ccc(Cl)cc4)n3)ccc2[nH]1 34011224 VVUPQDFEMRMCAA-UHFFFAOYSA-N 411.893 4.828 0 1 HJAF Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)ccc1Cl 40865394 QNSHWPTUGBCPDJ-LJQANCHMSA-N 420.340 4.957 0 1 HJAF O=C(Nc1ccc([C@@H](O)CO)c(-c2ccccc2)c1)c1cc2cc(Cl)ccc2[nH]1 40956049 JAIQNBRFWWXINK-QFIPXVFZSA-N 406.869 4.766 0 1 HJAF CC(C)OC(=O)N[C@@H](OC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 68586539 GURZNSBXADQDRP-JTQLQIEISA-N 404.077 4.719 0 1 HJAF biogenic O=C1OCC2=C1[C@@H](c1cc(Br)cs1)c1ccc3ccc(O)cc3c1N2 71294198 XQFMCKHQNQIOCY-MRXNPFEDSA-N 414.280 4.738 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2C[C@@H]1CCCO1)c1ccccc1 82188921 GSTOLCLUHTVNNV-HKUYNNGSSA-N 407.562 4.810 0 1 HJAF CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 82196632 DZYHDVBPVZKVRX-IBGZPJMESA-N 406.578 4.651 0 1 HJAF O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1 95575881 ZISIKDAFSNLTLU-AWEZNQCLSA-N 414.763 4.501 0 1 HJAF CC[C@H](C)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br 168270442 YEPIOFDLMGAKEX-SDWAUSNYSA-N 415.382 4.909 0 1 HJAF CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1Cl 218070002 NIKUTJUSYMUTDM-UHFFFAOYSA-N 402.907 4.700 0 1 HJAF S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 504771440 LJMIHNWGPQSCOB-IDPBPBMLSA-N 402.007 4.932 0 1 HJAF biogenic O=C1c2ccccc2-c2c(Cc3cccc(C4OCCO4)c3)cnc3ccc(O)c1c23 586991078 LAJNQUJFNSIRIK-UHFFFAOYSA-N 409.441 4.788 0 1 HJAF N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F 587142541 DUGCVYDURWJDNZ-GFCCVEGCSA-N 418.188 4.606 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 587347630 LVYUSCYFCPVZOI-AHWVRZQESA-N 417.480 4.785 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587353954 PRDPUAYBCOEEKM-YBGOQADZSA-N 418.420 4.748 0 1 HJAF C=Cn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1CCN(Cc1ccccc1)C2 587389298 GHPNBBCTOIKNOZ-RUZDIDTESA-N 413.521 4.744 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccccc1NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587427410 CQGVQSXAYCJLQY-YADARESESA-N 415.445 4.933 0 1 HJAF CCN(CC)C(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587504558 JZSIAYFYQRTNHN-HSZRJFAPSA-N 407.510 4.519 0 1 HJAF C[C@]1(c2ccc(SCC(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508426 VOVAYLJCEDLHOU-JOCHJYFZSA-N 400.471 4.762 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(F)c1 587553041 DHSCSNVXOURYSB-XLIONFOSSA-N 402.324 4.836 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncc(Br)c2)N1 587682291 LFBZSBHJKPXTID-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccccc2)N1 587717480 FVMUDUYGHVICAK-WLRWDXFRSA-N 412.249 4.590 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cn2)N1 587730542 JIJMXBNPHPHNNA-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF COC(OC)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587731344 ZBARNIWQZRXBBN-YPMLDQLKSA-N 412.274 4.642 0 1 HJAF COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587783275 LTQYCYVWGJYTGA-UHFFFAOYSA-N 402.294 4.983 0 1 HJAF COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587808208 NSQJRNVFZKRZJD-XEKQOVJPSA-N 400.332 4.707 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CCOC2)(c2ccccc2)N1 587835295 PAPBUWWGYJDKGV-VTJXTGGHSA-N 404.323 4.793 0 1 HJAF C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587837015 CWDJVFGXJZCCJU-JGRMJRGVSA-N 422.294 4.534 0 1 HJAF O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 587962095 RGUTUNQLNNBVBK-UHFFFAOYSA-N 413.193 4.562 0 1 HJAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3ccccc3n2CC(=O)c2ccccc2)cc1 653758321 BDCFRHXPQHIPOB-FCHUYYIVSA-N 409.489 4.591 0 1 HJAF CC(C)(C)[C@@]1(C[C@@](O)(c2ccccc2)C(F)(F)F)NCCc2nc3ccccn3c21 962982766 KFRKFEXVZDZFCP-FCHUYYIVSA-N 417.475 4.562 0 1 HJAF CC(C)C(=O)[C@@H]1CCCC[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963175683 RUSLLYKJWQOFFI-XGINMYPSSA-N 417.855 4.568 0 1 HJAF COc1cccc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)c1 1857656791 UVWAIBUOXKRXQY-UHFFFAOYSA-N 401.510 4.557 0 1 HJAF CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc([C@@H](C)C(=O)O)cc1)C2 1857758158 VRKBVSUBBJLUGY-OAHLLOKOSA-N 419.477 4.986 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CCC4=C5C[C@H](O)[C@@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@H]4[C@H]3CN2C1 2356381972 IHUAQEBWORFLGF-FBFUPRTHSA-N 411.630 4.836 0 1 HJAF CC=C(C)C(=O)OC[C@]1(C)CC[C@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]31 2356617843 ULHQJKWCAOIZNP-XRAVFUQJSA-N 416.558 4.651 0 1 HJAF O=C(NCc1ccco1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61908987 ODWLJNUZTFQENT-HSZRJFAPSA-N 412.445 4.754 0 3 HJAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O 61921276 WIRDLAHTVWCPQN-SFHVURJKSA-N 403.869 4.777 0 3 HJAF COc1cc2c(cc1OCc1ccccc1)/C(=C/C(=O)OCc1ccccc1)OC2 169341884 FYOJKLAFGQYGKF-HMAPJEAMSA-N 402.446 4.889 0 3 HJAF COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cc(C)cc(C)c4)C3)n2)cc1 201454266 MUJDPSUNGOXFRK-GOSISDBHSA-N 406.486 4.774 0 3 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4211539 NSAQUJHZHXGVSX-PZJWPPBQSA-N 412.848 4.523 0 1 HJAF COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]cc(CCC(=O)O)c1C 13802878 IZKQKZYHPAYOKJ-UNOMPAQXSA-N 402.450 4.509 0 1 HJAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCN(C)CC1 26283889 WDSZHJZTCDQVCL-HHHXNRCGSA-N 415.499 4.940 0 1 HJAF CC(C)=CCC/C(C)=C/c1ccc(COC[P@](=O)(O)CP(=O)(O)O)cc1 27657342 HEPFCZUDKRBZIK-LFIBNONCSA-N 402.364 4.716 0 1 HJAF in-vitro COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)cc1 27766817 IFWGWIDYJGPWPQ-URXFXBBRSA-N 412.961 4.501 0 1 HJAF O=C(NCc1ccccc1)c1cnc(Nc2ccccc2Cl)nc1C(F)(F)F 28645248 UQKCDBSOORATGD-UHFFFAOYSA-N 406.795 4.822 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1ccco1 35259296 LAIPLFMTINBGHP-HNNXBMFYSA-N 409.158 4.693 0 1 HJAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2c3c(c1)CCC(=O)N3CCC2 66101239 XACMNRBVWCIPLK-UHFFFAOYSA-N 416.565 4.787 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CC[C@H]([C@@H]2CC(=O)NC2=O)O[C@@H]1O 71280692 DHMXAXCAWHUFET-HVFQXGRFSA-N 415.574 4.882 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3ccc(F)cc3F)cc1[C@@]21N=C(C)C(N)=N1 169708759 YMEVFLBOXWRPCH-WQMGSUCASA-N 409.480 4.748 0 1 HJAF C[C@H](NC(=O)[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 299870124 NLFQZGZNWSXJNG-CHPURBITSA-N 419.565 4.713 0 1 HJAF in-vivo CC(C)(C)OC(=O)N[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987159 KGEQFTSXOCXDRN-ZDUSSCGKSA-N 416.477 4.534 0 1 HJAF Cc1csc(SCc2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)n1 587021733 PUIFTMBSIMQSTG-UHFFFAOYSA-N 408.508 4.618 0 1 HJAF Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1COc1ccccc1Cl 587063725 TWGRQZWXWWVRNJ-UHFFFAOYSA-N 411.845 4.920 0 1 HJAF Fc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587178867 NFFVXTPPIVBMMB-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442692 KPFHZZGODWQRBF-RLWLMLJZSA-N 414.457 4.812 0 1 HJAF C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499778 NAUXBGZNYVPCRX-NRFANRHFSA-N 403.400 4.947 0 1 HJAF O=C1C[C@@H](c2ccc(I)cc2O)Oc2c1ccc1c2CCCC1 587505215 LNOZNYRLIJYNLG-SFHVURJKSA-N 420.246 4.582 0 1 HJAF Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508684 ZPDJWSFXANGHBN-XMMPIXPASA-N 406.432 4.730 0 1 HJAF COc1cc(Cl)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557853 PDZUHKXMVGCBHB-RXVVDRJESA-N 400.789 4.896 0 1 HJAF Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 587573429 BUOVPVJBZSAAAW-ZEQKJWHPSA-N 407.425 4.860 0 1 HJAF COC(=O)c1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587701562 NXIKTLVBNCOOMI-HUTHGQBESA-N 412.686 4.652 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1 587766519 NRFGXUYOPCPAEB-ZSEKCTLFSA-N 418.354 4.568 0 1 HJAF CC(C)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587773328 QLVRLXPJDABWTL-BLVKFPJESA-N 402.311 4.983 0 1 HJAF CS(=O)(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784104 LEPMYCMEDZDJEU-ZROIWOOFSA-N 404.491 4.716 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794057 SNMVDJARNUSUIS-SBKAZYGRSA-N 423.326 4.673 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCC2=O)N1 587822702 MCLBYANLENBQLT-QTPGKHNVSA-N 402.307 4.735 0 1 HJAF COc1ccc2c(c1)C=C([C@@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2 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C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1 587711299 JQEZXTJLKATTON-PWJLMRLQSA-N 404.201 4.936 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(C2CCNCC2)N1 587732917 OJCDDGGECMGFRD-ZSEKCTLFSA-N 421.329 4.505 0 1 HJAF CCC(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587741119 GASJEGRAZAQKBI-FKIZINRSSA-N 405.311 4.734 0 1 HJAF Cc1cc(C)c2c(N)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2n1 587747369 PZMKRPXYHJHYKP-PRWKNARSSA-N 418.310 4.726 0 1 HJAF Cc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760738 QIPNHHGXOVJVMZ-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncccn3)cc2)N1 587775909 UYPTXNVTJXKBFQ-BLVKFPJESA-N 414.278 4.794 0 1 HJAF Cc1c(C(=O)NN2C(=O)CS[C@]23C[C@@H](C)CC(C)(C)C3)[nH]c2ccc(Cl)cc12 1911572682 FKOKUWYOLBKVCA-QKVFXAPYSA-N 419.978 4.892 0 1 HJAF CC(C)(C)NC(=O)[C@H](c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95566805 OOZQTHKAIOXNLI-QHCPKHFHSA-N 411.505 4.568 0 3 HJAF O=C(OCc1ccc(-c2ccc(Br)cc2)o1)c1ccc2c(c1)OCCO2 2476895 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401.491 4.629 0 1 HJAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3ccc(F)cc3)c21 169722223 JWFUUZCLAVKLGU-NRFANRHFSA-N 422.387 4.853 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 195151908 WFKXCGWVYJNIRE-SEKMLUFISA-N 404.547 4.580 0 1 HJAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@H]4CCCO4)[C@H]3C[C@@H]12 299878918 JYMHKTKNMKGODF-UVGMCDDHSA-N 413.558 4.575 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3c2)cc1 586907789 XFUPYLIQVHSRNB-FYJGNVAPSA-N 412.401 4.810 0 1 HJAF Clc1ccc(C2=C[C@H](c3nc4c(Cl)c(Br)cnc4[nH]3)ON2)cc1 587075125 CWCVWLPCRGCJPP-LLVKDONJSA-N 412.074 4.644 0 1 HJAF CC(C)Oc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587156449 NNSCRKLWBCBQON-BLVKFPJESA-N 404.283 4.593 0 1 HJAF CSc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170672 UCPSTYLSVCUJFZ-UHFFFAOYSA-N 419.528 4.953 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c1 587231953 IXWRNOGOIRGIBC-UHFFFAOYSA-N 411.292 4.882 0 1 HJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587242668 YVSHUOBJBRICER-UHFFFAOYSA-N 416.275 4.675 0 1 HJAF CC[C@H](Oc1ccc(C)c(C)c1)C(=O)c1c(CO)oc2cc(Br)cnc12 587273193 IYFQEHOWVFCFQO-HNNXBMFYSA-N 418.287 4.740 0 1 HJAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1C 587334689 KCIAWRJWKNWYER-QPPBQGQZSA-N 407.441 4.705 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348429 WSZCZQSYLSQKDB-JWFGRAFASA-N 417.480 4.781 0 1 HJAF CC[C@@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352076 NUVWSWZXOYQDNJ-DHLKQENFSA-N 420.436 4.982 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442690 KPFHZZGODWQRBF-QFQXNSOFSA-N 414.457 4.812 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)c(Cl)cc(Cl)c1O 587548746 XQQWRYRYAALQSV-XOBRGWDASA-N 419.216 4.813 0 1 HJAF CC(C)Oc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br 587566263 CXNFIVNFTRINIX-UHFFFAOYSA-N 403.276 4.547 0 1 HJAF COc1ccc2c(c1)cc([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C 587576599 JSNULRCMWUNGPT-QPPBQGQZSA-N 401.418 4.595 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)c1 587613625 OHTXXAXIMIOZSS-YJBOKZPZSA-N 403.253 4.919 0 1 HJAF Nc1sc2c(c1[C@]1(C3CC3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 587619013 QFXAPDLFBTUOOM-YKSBVNFPSA-N 419.502 4.792 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl 587693243 MVZUNQIXGYJGPO-NIVTXAMTSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1 587766788 HIVLJOBYEAXJSV-YBTHPKLGSA-N 407.327 4.784 0 1 HJAF CCOC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587792312 BOZLMCDZSDPCGM-ZUOKHONESA-N 420.322 4.973 0 1 HJAF CCOC(=O)c1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799583 SOFZDWXPCONQQX-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCC2)N1 587816067 SWMGLLWOMSHHQD-ASSNKEHSSA-N 402.307 4.979 0 1 HJAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccccc3)c2O)n1 587944890 JUTKIIJEWRYEGA-UHFFFAOYSA-N 409.442 4.777 0 1 HJAF C[S@](=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801659 YMXCZDZLKQUEJO-ZBLYBZFDSA-N 402.947 4.770 0 1 HJAF Cc1cn2c([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)c(C)nc2s1 962636433 NWBHNUNUMAFJRU-XUZZJYLKSA-N 414.578 4.849 0 1 HJAF CCNC(=O)[C@]1(c2c(C)[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962670936 VODMHFNKOREJMP-HHHXNRCGSA-N 409.533 4.669 0 1 HJAF CC(C)c1cccc2c1OCCC[C@@]21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962703421 BOUVBVHFVHUREX-UGKGYDQZSA-N 403.444 4.872 0 1 HJAF CC(C)Cc1cc(CNS(=O)(=O)c2ccc3ccccc3c2)nn1-c1ccccc1 1772614961 IXGLVEXYQKUARI-UHFFFAOYSA-N 419.550 4.703 0 1 HJAF Nc1ncc2ccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)cc2n1 1772615461 DHDCAIXEYUWCSC-UHFFFAOYSA-N 407.449 4.966 0 1 HJAF O=C(/C=C/c1ccccc1)OCCCc1cn(Cc2cc(Cl)ccc2Cl)nn1 1857548479 QEETVAODYLRJFF-DHZHZOJOSA-N 416.308 4.822 0 1 HJAF CC(=O)Nc1cccc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)C2CC2)c1 95603351 RRNAZWGVIFDVMG-OAQYLSRUSA-N 404.514 4.528 0 3 HJAF O=C(c1csnn1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 3956140 UYOXGUDJSKVWBF-UHFFFAOYSA-N 418.566 4.728 0 1 HJAF O=C(O)C1CCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 13729506 GBPQPFSMMPFWDL-UHFFFAOYSA-N 408.325 4.896 0 1 HJAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N[C@@H](C(=O)O)c2ccccc2)cc1 13732448 NNTXEHYJDBNNKO-HSZRJFAPSA-N 414.509 4.897 0 1 HJAF CC(C)c1cc(CCCCCC[C@](O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O 34849752 ZOPMWEGZPWNLQX-FQEVSTJZSA-N 403.485 4.911 0 1 HJAF CC[C@@H](c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccn1CCOC 38479935 VHHCNDHHHSLJBK-QFIPXVFZSA-N 412.555 4.502 0 1 HJAF CC(=O)N1CCC[C@@]1(Cc1ccc(F)c(C(F)(F)F)c1)C(=O)OCc1ccccc1 49067619 FVUPKUVURDLNAG-OAQYLSRUSA-N 423.406 4.512 0 1 HJAF COC1CCC(OC(=O)[C@H]2C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@@H]3N(C)C2)CC1 100308419 RJBJIKXTJIZONR-DHWVPWKASA-N 424.585 4.683 0 1 HJAF CS(=O)(=O)c1ccc(/C=C(/C(=O)O)c2cccc(-c3ccc(F)cc3F)c2)cc1 103166870 ZXYLKMQVQSUNEQ-RGVLZGJSSA-N 414.429 4.661 0 1 HJAF CC(C)(C)OC(=O)N1CCC(c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)CC1 144962259 JADVEJXQIAVWLP-UHFFFAOYSA-N 405.502 4.648 0 1 HJAF CCN(CC)[C@H](CO)C[C@@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12 169335282 LBDKKUOQSWHHME-MGPUTAFESA-N 404.963 4.743 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccc(Cl)nc2)NC(=O)N1 206447059 URZXRDLIESBEPT-SFHVURJKSA-N 407.886 4.515 0 1 HJAF Fc1cc(NCc2ccccc2)nc(-c2ccnc3[nH]c([C@@H]4CCCNC4)cc23)c1 226090451 SDKUHAJXRKLBEV-QGZVFWFLSA-N 401.489 4.843 0 1 HJAF CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](C(=O)O)CC[C@@]2(C)C(C)=CCC[C@@H]21)COC(C)=O 238736736 BKCYJXFNFNVGFG-VQZPBMFXSA-N 420.546 4.683 0 1 HJAF COc1ccc2cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)ccc2c1 473136359 QHJHMCYAXBKCKE-UHFFFAOYSA-N 402.538 4.533 0 1 HJAF FC(F)(F)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Cl 587006444 NQSRKFZDBAJMKE-UHFFFAOYSA-N 416.588 4.707 0 1 HJAF COc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1OC 587032468 WMPZKLWRTJKHGQ-UHFFFAOYSA-N 415.515 4.602 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175224 STYVHHNJKBNXPG-UHFFFAOYSA-N 420.897 4.534 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240323 SSRXTZMHECWGJI-JLCUDIMXSA-N 422.529 4.666 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccn1)O2 587373331 UCZFAZUAFALOLJ-NRFANRHFSA-N 409.283 4.644 0 1 HJAF C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661639 QBYJMFGTTUBEKP-QEEYODRMSA-N 409.530 4.750 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC[C@H]3CCCO3)c2)N1 587831137 GUZVAFZKKSPQMY-PJUBBZNESA-N 420.322 4.770 0 1 HJAF COc1cc(C2(c3nc4cccc(I)c4[nH]3)CC2)ccc1C 587927151 OETQOKTUIBCKJV-UHFFFAOYSA-N 404.251 4.564 0 1 HJAF COc1ccc(CCCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(OC)c1 587928825 NDPBKDSRMWWSDD-UHFFFAOYSA-N 400.478 4.986 0 1 HJAF COc1ccc([C@]2(c3ccccn3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962723045 YCNQJSXTDGZJMS-KBMIEXCESA-N 420.553 4.885 0 1 HJAF Oc1ccc2c([C@@H](O)CNCCCc3ccc(-c4ccccc4)cc3)ccc(O)c2n1 1857555053 OLKAFTZNOGTZBI-DEOSSOPVSA-N 414.505 4.569 0 1 HJAF Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)[C@@H](Cn3ccnc3)C2)cc1 1857586978 ZGTGKCZMGMVINR-JOCHJYFZSA-N 415.368 4.577 0 1 HJAF CCCCCCS(=O)(=O)c1ccc(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1Cl 1857611260 DDNLDCCXWKXEIV-LRTDBIEQSA-N 406.375 4.624 0 1 HJAF COc1ccc([C@@](C)(O)c2nc(-c3ccsc3C(C)=O)nc3ccccc23)cc1 1911576260 GXOTWAKDUBJQRF-HSZRJFAPSA-N 404.491 4.825 0 1 HJAF CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(OC)cc2OC)n1 13794514 QEIDUTLVJUJMLK-UHFFFAOYSA-N 423.355 4.569 0 1 HJAF COc1ccc(OC(F)(F)F)cc1C1=C[C@@]2(CCCN[C@@H]2c2ccccc2)OC1 26651176 ZACQZIWOFJIWSX-NHCUHLMSSA-N 405.416 4.871 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Oc3cccc(Cl)c3F)c1NC2 38149518 IXNFMKXZJYIECU-UHFFFAOYSA-N 403.797 4.796 0 1 HJAF COc1ccc2c(c1O)-c1c(OC)cc(O)c3c1[C@@H]1[C@H](CC3=O)c3ccccc3O[C@@H]21 38838967 UFSFBNPOCJFHOB-NXPBYULISA-N 416.429 4.683 0 1 HJAF biogenic CC1(C)C[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2ccccc2O1 40846560 CKMSOIOZIUVENL-OAQYLSRUSA-N 405.416 4.521 0 1 HJAF Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O 44460344 ZTKOUSVWVUFWQC-UHFFFAOYSA-N 419.488 4.556 0 1 HJAF in-vitro CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccccc2)c2ccccc21 49111057 VSEQHQHTFSCJDD-MHECFPHRSA-N 420.534 4.768 0 1 HJAF COc1cc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cc(OC)c1OC 82161101 BATOUSQLBWJLGU-UHFFFAOYSA-N 419.403 4.800 0 1 HJAF O=C(Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)cc1)c1ccccc1 84614746 NLNRKGPNHIQIDK-UHFFFAOYSA-N 419.529 4.667 0 1 HJAF OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1 95605018 FGIIPPWCFAHPSX-OAHLLOKOSA-N 410.271 4.798 0 1 HJAF CC(C)c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115656391 JXJCVKGEZPZRAF-SANMLTNESA-N 414.480 4.762 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccnc(-c2ccccc2)c1 167487042 IIZPCODOTFDRPI-UWJYYQICSA-N 402.494 4.876 0 1 HJAF CN1CC(C)(C)N2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 169309800 BXWGGUPCFAJWLY-VXKWHMMOSA-N 421.560 4.695 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(F)c3[nH]2)c1 587050318 XZDHDTSMTCKJIF-MDZDMXLPSA-N 400.841 4.746 0 1 HJAF Cc1onc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1COc1ccccc1Cl 587063445 NIGTWJPZSWYFSE-UHFFFAOYSA-N 409.755 4.568 0 1 HJAF O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)Br)nc3cccc1c23 587103501 ISDGZJAOUDGYNO-UHFFFAOYSA-N 402.194 4.546 0 1 HJAF N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1F 587142675 KMZDRZPVPKLYCN-NSHDSACASA-N 418.188 4.606 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c2c1 587144417 WLUWEVPQZFYZEI-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF O=C(Nc1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1)c1ccc(F)cc1 587163628 PZEBHVKMCSVRBB-UHFFFAOYSA-N 415.403 4.946 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(Cc3cccs3)CC2)[C@H]1c1ccc(F)cc1 587370756 BAPHUJIJWQGLOI-QFIPXVFZSA-N 423.509 4.987 0 1 HJAF CN(C)/C=C/[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377287 RDPLNTGLDFSOSF-OQMUJVAMSA-N 409.482 4.923 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(F)(F)F)nn3C)s1)O2 587381263 DYXULRYLQYZJOA-CQSZACIVSA-N 407.417 4.765 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(F)(F)F)Oc3ccc(N)cc31)CC2=O 587463504 BGFPGWNIFQVDCF-FQEVSTJZSA-N 405.372 4.626 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CC2=O 587475141 MMOOYQYZSCHFER-IQMFZBJNSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CN)(c1nc(-c3ccccc3)c(C)s1)CC2=O 587496673 ZRJSWTYVVZXCQA-QHCPKHFHSA-N 408.523 4.596 0 1 HJAF CCOC(=O)CCC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525627 QMASFZLJWPPJCM-QHCPKHFHSA-N 406.478 4.798 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c2[nH]c2ccc(F)cc12 587572567 VZWVDKALUNYYJN-GBXCKJPGSA-N 401.393 4.816 0 1 HJAF COc1ccc(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601026 PXRWDAJTYSVQLW-RDGATRHJSA-N 402.446 4.903 0 1 HJAF CC(=O)Nc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(C)=O)c1 587623115 LHGXKWZXIPJGBQ-UHFFFAOYSA-N 411.259 4.635 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O 587691636 HGUMDFPQOCRZLP-ZKANADHPSA-N 400.675 4.579 0 1 HJAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587694768 ACOAWQMMRICWEG-WLRWDXFRSA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742456 RKMIWGOZRFHSAG-MEDUHNTESA-N 415.347 4.809 0 1 HJAF C[C@H]1CN(Cc2ccccc2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587762823 UULAJUBJEVFAIJ-WJONJSRFSA-N 417.366 4.860 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O 587771405 SDTPYOXUKAUQTL-PRWKNARSSA-N 401.279 4.585 0 1 HJAF COc1ccc2nccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587777005 FJYVTDNYLRZVLS-GIPWTMENSA-N 401.279 4.769 0 1 HJAF CCOC(=O)c1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799580 SOFZDWXPCONQQX-FKIZINRSSA-N 406.295 4.563 0 1 HJAF COc1ccc(OC)c2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587805010 CNSAMFYITPMGIV-XUSGNXJCSA-N 420.322 4.720 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)nn2C)N1 587850687 DWKBIAWZFWUTOW-XTZNXHDOSA-N 406.324 4.674 0 1 HJAF COc1ccc(OC(C)(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1 587936701 XGRAQIQVOMJGAR-UHFFFAOYSA-N 404.308 4.826 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccncc1)(c1ccc(Cl)cc1)N(C)[C@@H](C)C2 962571591 IPNXTQDTPFIZEB-FYSMJZIKSA-N 408.929 4.921 0 1 HJAF Cc1ccc([C@]2(CCNc3ccc(F)cc3)NCCc3c2c(C(C)C)nn3C)cc1 962907785 IUFAFQSBACFZOW-VWLOTQADSA-N 406.549 4.883 0 1 HJAF C[C@]1(CCc2ccc(O)cc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959112 RJIHHJHWCSBBLC-OAQYLSRUSA-N 405.460 4.910 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1c1csc(-c2ccccc2N)n1 963269575 KXNZKJCFQNENHG-GOSISDBHSA-N 400.345 4.732 0 1 HJAF Clc1ccc(-c2nnn(CCCN3CCC[C@@H]3c3ccc(Cl)cc3)n2)cc1 1857604823 UFMBHHXTUILQGO-LJQANCHMSA-N 402.329 4.874 0 1 HJAF COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(NC(C)=O)c4)cn23)c1 61908787 FJJSRYVFDRTKME-UHFFFAOYSA-N 414.465 4.594 0 3 HJAF Cc1cc(=O)c(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581200 BGHFCHXCWWBAAP-UHFFFAOYSA-N 424.396 4.830 0 1 HJAF COc1cc(-c2ccc3c(c2)/C(=C/c2cccc(OC)c2OC)C(=O)N3)ccc1O 14956241 SAYIMGBHCLRECQ-PDGQHHTCSA-N 403.434 4.578 0 1 HJAF N[C@H](COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12 14962355 IPKHSYHXXAIZDD-SFHVURJKSA-N 400.507 4.788 0 1 HJAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC[C@H]1C 27559566 XVUOZRSARADKPL-HZPDHXFCSA-N 414.933 4.837 0 1 HJAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 29414817 OGRPTSJALBBHRP-UHFFFAOYSA-N 422.488 4.653 0 1 HJAF CN(C)C12CCN(CCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 58480529 DSBAUSQCZVZXKB-XPALAHHGSA-N 417.641 4.818 0 1 HJAF c1ccc(CNC[C@@H]2Cc3sccc3C3(CCN(Cc4ccccc4)CC3)O2)cc1 84669229 LQVHDDUTZGRMCF-QHCPKHFHSA-N 418.606 4.971 0 1 HJAF CC(C)C1=N[C@@](C)(C2=N[C@](C)(C3=N[C@](C)(c4nccs4)CS3)CS2)CS1 136563119 AAZNLXXTBVTBKQ-KSZLIROESA-N 424.686 4.968 0 1 HJAF O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)Cc2ccc(Cl)cc2)c1 220646737 QPEGETJYJLMTCW-UHFFFAOYSA-N 421.305 4.615 0 1 HJAF CC1=C(C[C@]23CCC[C@@H]4C[C@@H](C)C[C@H]([C@@H](CO)C2)N43)C[C@@H]2CCC(=O)c3ccc1n32 238772869 ZWUTTYKUKCHEPH-AYHRVEBUSA-N 408.586 4.977 0 1 HJAF C[C@H]1C[C@H](C)[C@H]2C[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255284534 YIYKJKFLANHXRV-CWHDLRKXSA-N 415.662 4.563 0 1 HJAF Cc1ccc(CSCCc2nc3cccc(I)c3[nH]2)cc1 586970799 JENZTVRQYLOHGO-UHFFFAOYSA-N 408.308 4.952 0 1 HJAF O=C(O)c1ccc(-c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc2F)cc1F 587138574 NEENZSWTYBMBDS-UHFFFAOYSA-N 420.297 4.634 0 1 HJAF Cc1ccc2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[nH]c2c1 587344069 FKZOHDKUIYSVDE-ZJSXRUAMSA-N 402.425 4.990 0 1 HJAF COc1ccc2c(c1)OC=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360300 UTEJHIYWSNKIIJ-LADGPHEKSA-N 404.393 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N(C)C)CC2=O 587459893 ZLJAMMZLVFMAHI-LJQANCHMSA-N 404.304 4.880 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Br)c1 587540769 QXUDEBFONJPNHL-XLIONFOSSA-N 413.223 4.563 0 1 HJAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-n2cccn2)c1 587578868 BMFDZCZESYLUNP-WIOPSUGQSA-N 412.445 4.898 0 1 HJAF COCCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597271 QMBGJHIRWGQTMG-QPPBQGQZSA-N 406.434 4.510 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(CC(F)(F)F)s2)N1 587709027 HJJLSHYXYRJVNQ-WJWGPLDTSA-N 409.246 4.773 0 1 HJAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587792559 OUHLOQHVCMYAEK-SBKAZYGRSA-N 423.326 4.508 0 1 HJAF COc1cccc(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587808407 NNUCRDYKRMSOOQ-ODXCJYRJSA-N 406.295 4.619 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)(C2CC2)N1 587835354 VXQTWEORRAKXRC-ZUOKHONESA-N 412.343 4.661 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2ccc(C)cc2n1 587860178 QJXLSCLPVNZKTB-UHFFFAOYSA-N 415.280 4.900 0 1 HJAF CCN(c1ccc(-c2csc(-c3cccc4cccnc34)n2)cc1)S(C)(=O)=O 587922569 FAAWZKYBMUAJKH-UHFFFAOYSA-N 409.536 4.811 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)c1 587930596 DQAYCJZAXUMSGJ-UHFFFAOYSA-N 422.282 4.935 0 1 HJAF COc1cc2c(cc1OC)[C@H]([C@H]1CCCN(Cc3ccccc3)CC1)N(C)[C@@H](C)C2 962639990 YEFQXPNOYLIMSO-ZVOVDXHFSA-N 408.586 4.924 0 1 HJAF CC(=O)[C@@H](c1ccccc1)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953748 KAWPIMDSYVALMZ-RBBKRZOGSA-N 417.471 4.945 0 1 HJAF CCOc1ccc2[nH]c3c(c2c1)CCC[C@@]31NCCc2cc3cccc(OC)c3nc21 963049912 WLSVFRJDGKRVND-SANMLTNESA-N 413.521 4.849 0 1 HJAF CC1(C)CN[C@](C)(c2ccc(Cl)c(Br)c2)c2c1ccc1c2OCO1 963390609 LLGGQWHJDBIRMP-LJQANCHMSA-N 408.723 4.976 0 1 HJAF O=C(c1cccc(Cl)c1F)n1nc(OCCCN2CCCCC2)c2ccccc21 1857595429 HBMJZTPUWYWUEH-UHFFFAOYSA-N 415.896 4.772 0 1 HJAF COc1cc2ncnc(N3CCCc4ccccc43)c2cc1NC(=O)/C=C/C(C)C 1857629828 OJPMXWGNZQVOCT-ZHACJKMWSA-N 402.498 4.873 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356827269 HOYDPSPJTCNOEF-QYRMKPQBSA-N 408.582 4.807 0 1 HJAF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4055372 MUCPLGJCQOZYCH-RBBKRZOGSA-N 414.933 4.708 0 1 HJAF Ic1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 13517643 BOWXRAMSVXTIEJ-UHFFFAOYSA-N 407.295 4.856 0 1 HJAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(cc1)O2 14828664 BNZQLMXVMRJEMM-CUWPLCDZSA-N 423.509 4.741 0 1 HJAF COc1cc2c(cc1OC)[C@H](CC(c1ccccc1)c1ccccc1)N(C=O)CC2 28396972 ISVXVFYNYLBSKA-DEOSSOPVSA-N 401.506 4.982 0 1 HJAF CCCC(=O)NCCc1c(CN2c3ccccc3C[C@H]2C)[nH]c2ccc(OC)cc12 40380562 UXKNFYADPUMFHR-QGZVFWFLSA-N 405.542 4.587 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2C1 40972766 AIMMTSCLXAKBFQ-DHZFHNNVSA-N 416.558 4.507 0 1 HJAF CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2c(C)cc(C)cc2C)OC1=O)CC 42888695 DTLWYWFBUKJHGF-ODLSHHGWSA-N 402.531 4.589 0 1 HJAF C[C@H]1CCCN1CCc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 43017684 YHWXZYXEHVBOKF-FQEVSTJZSA-N 412.599 4.555 0 1 HJAF O=C(Cc1cccc2ccccc12)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45201720 ASZBAUONPVGCMU-HXUWFJFHSA-N 415.924 4.979 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82133834 MVUBJBHGEWACTE-UHFFFAOYSA-N 402.542 4.898 0 1 HJAF COC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 169720310 WDFPMDMCJQNDGT-XZOQPEGZSA-N 417.461 4.570 0 1 HJAF CO[C@H](C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)[C@H]1CCCN1C 205799629 DNTTVASNLYWRSO-IFMALSPDSA-N 422.598 4.684 0 1 HJAF COc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccc5cnn(C)c5c4)cc23)c1 261178857 VNUWACGAODNREK-UHFFFAOYSA-N 423.476 4.640 0 1 HJAF O=C(O)c1cc(Br)cc2[nH]c(-c3cc(F)cc(Br)c3)nc12 314191282 KXCCESPUADMYIP-UHFFFAOYSA-N 414.028 4.592 0 1 HJAF OC[C@@H](O)c1cccc(-c2ccc3c(c2)CNc2cc(C(F)(F)F)ccc2O3)n1 473125580 RDPGKISHEJTYKG-GOSISDBHSA-N 402.372 4.511 0 1 HJAF Nc1c(-c2nc3ccnc(Br)c3[nH]2)sc2cc(Br)ccc12 587030162 ADEIYGCELXIIQT-UHFFFAOYSA-N 424.121 4.947 0 1 HJAF CCOC(=O)[C@@H](c1cccnc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095768 AGGXIOKRKKKUIN-QFIPXVFZSA-N 408.457 4.845 0 1 HJAF CCOc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)ccc1OC(F)F 587130440 MGZKOEOFQGDQFA-YWEYNIOJSA-N 410.218 4.891 0 1 HJAF Cc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587347626 PFSACVKYCNFSEX-BOBCHSRXSA-N 408.429 4.678 0 1 HJAF COc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1O 587353076 QEOCBYJSQJSWQI-ILBGXUMGSA-N 422.452 4.996 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1OCCCO1)(c1cccc(Cl)c1)O2 587378309 NQUOCXPXULRYRV-JOCHJYFZSA-N 401.890 4.635 0 1 HJAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587420263 HJNKVUBLTXGXRC-LHSJRXKWSA-N 421.276 4.900 0 1 HJAF COc1cccc(COc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441579 FYBSYYOITREBFJ-NLFFAJNJSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)CC2=O 587461421 KFFCHOBUZQPHJO-XMHCIUCPSA-N 402.874 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O 587486167 YMICODJUZHSODP-CPJSRVTESA-N 410.510 4.799 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3c(c1)OCO3)CC2=O 587493171 SPORCDOVQCURAA-RUZDIDTESA-N 402.446 4.982 0 1 HJAF CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1N1C(=O)c2ccccc2C1=O 587642803 OUTFCPKXQLPSLI-AWEZNQCLSA-N 404.466 4.588 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2F)N1 587725379 CWBGTHLZKPEHLI-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2ccccn2)N1 587734803 VVCFAAMHPRITCS-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1 587736506 SEHOECCJGCHWDV-RKFVTTHHSA-N 420.297 4.994 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587744653 SDYTYWQLVYWOLR-LRTDBIEQSA-N 419.338 4.983 0 1 HJAF COc1ccc([C@H](C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811384 ZUTPUGWRLXSWPD-JOOBJXAISA-N 408.311 4.984 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(=O)O)cc1OC 587866191 XHSZPEZVHNUDOL-UHFFFAOYSA-N 406.360 4.664 0 1 HJAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)N(C)[C@H](C)C2 962630458 NLMZYEVXFUBBEZ-WGDIFIGCSA-N 417.505 4.570 0 1 HJAF Cc1cccc2c1[C@@]1(c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N13)c1ccccc1-2 962676940 YECQSNOUZKCPSL-VSGBNLITSA-N 420.512 4.914 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccccc1NC(=O)OC(C)(C)C 963030887 FXWJYPUBNOFITE-VWLOTQADSA-N 419.525 5.000 0 1 HJAF COc1ccc(Cl)c([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963173977 AENYKCIPVGSLJG-CJNGLKHVSA-N 420.214 4.709 0 1 HJAF COC(=O)c1ccc(O)c(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 1772575338 SGXILMMYXOSMCZ-UHFFFAOYSA-N 413.514 4.910 0 1 HJAF NCCCc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1 1857555677 HIBXMVVDJHBBHN-UHFFFAOYSA-N 414.340 4.597 0 1 HJAF O=C(NC1CC2(CCCCC2)NC2(CCCCC2)C1)c1cc2cc3c(cc2[nH]1)OCO3 1857771240 MNATXQDKNWMAPN-UHFFFAOYSA-N 423.557 4.784 0 1 HJAF CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1 61896159 MAXFVEFQGQLWRG-DEOSSOPVSA-N 410.583 4.878 0 3 HJAF CCOc1ccc(C2=C3C(=NCCN2)C(=O)N(c2ccccc2)[C@@H]3c2ccccc2)cc1 1104749 JPRFBCXAQWPBKS-AREMUKBSSA-N 423.516 4.629 0 1 HJAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 2037712 OZZAYJQNMKMUSD-WXZUINQYSA-N 416.558 4.931 0 1 HJAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2562947 PDEKSQPGUZKWQD-XXBMXSMRSA-N 404.591 4.775 0 1 HJAF biogenic O=c1cc(-c2ccn3c(-c4ccccc4)cnc3c2)ccn1CCCN1CCCCC1 3819300 JPWAQYSLKMIFOO-UHFFFAOYSA-N 412.537 4.706 0 1 HJAF C=C[C@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2 14583934 KWVWOXJGHDYSDZ-FPDDQMOCSA-N 423.601 4.828 0 1 HJAF biogenic CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(=O)O)[C@@H](O)CCCC(=O)O 29324730 SBJCECYKAMVTDR-XYDKVVAXSA-N 410.576 4.984 0 1 HJAF O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2ccccc2)CC1 34802210 PAWBGCCWTWGZPD-UHFFFAOYSA-N 423.607 4.743 0 1 HJAF Cc1nc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)no1 34841771 OYUCOYCEJWDVQK-UHFFFAOYSA-N 410.421 4.568 0 1 HJAF O=C(c1c[nH]c2cc(OCc3ccccc3)ccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 36331996 PQKFTEXJAARLFZ-UPVQGACJSA-N 415.518 4.728 0 1 HJAF CN(C)c1ccc(-c2csc(C(=O)NC[C@@H]3CCN(CCC(C)(C)C)C3)c2)cc1 45168436 HGYCBDKJELKPTD-SFHVURJKSA-N 413.631 4.969 0 1 HJAF COc1ccccc1NC(=O)Nc1ncnc2c1sc(=S)n2-c1ccccc1 45284447 JUNBNUCOJRJTGC-UHFFFAOYSA-N 409.496 4.864 0 1 HJAF Cc1ccc(N[C@@H](C)c2nc3ccccc3c(=O)n2CCO[C@H]2CCCCO2)cc1C 45300566 VUPHLWZMXWYWHQ-CVDCTZTESA-N 421.541 4.730 0 1 HJAF FC(F)(F)c1cccc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)c1 82179044 UUBQTFZQZAVUSD-MRXNPFEDSA-N 417.435 4.514 0 1 HJAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NC1CCCCC1 82222825 KBKCVBOMYUSHNZ-KRWDZBQOSA-N 407.580 4.932 0 1 HJAF OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 95874539 CPGJSWPJIQFYIV-ZLNRFVROSA-N 418.503 4.531 0 1 HJAF Clc1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1 96933146 YEUOLVHDGBACER-UHFFFAOYSA-N 402.889 4.971 0 1 HJAF O=C(Nc1cccc(Cl)c1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O 103205217 XHJMEEJUFQTAOF-SFHVURJKSA-N 414.955 4.644 0 1 HJAF Cc1cccc(-c2[nH]c(CNc3ccccc3Cl)nc2-c2ccc3ncnn3c2)n1 113389751 BMYPYGNBHKAZIB-UHFFFAOYSA-N 415.888 4.755 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(Cl)c2C)s1 114805543 MAFLAYQHEPPOKU-CABCVRRESA-N 415.950 4.701 0 1 HJAF Cc1ccc(F)cc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143158880 CUVWAXHFLWGMGR-UHFFFAOYSA-N 406.335 4.886 0 1 HJAF O=C(OC1C2CC3CC(C2)CC1C3)N1CC[C@@H](c2nc(-c3ccncc3)cs2)C1 147311054 GHQIACXVGOKCJB-UCLGRBAVSA-N 409.555 4.956 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)[C@H]1C(C)=CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 238772993 WYTVDHJDWVCVFI-KHODRUNXSA-N 420.590 4.669 0 1 HJAF Cc1cc(C(N)=O)c2nc(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)[nH]c2c1 474607878 KLMRXJKQZZVFIC-UHFFFAOYSA-N 424.504 4.540 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586917499 STQBNKCUZFMFAX-IQGLISFBSA-N 412.493 4.611 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1 586921177 DXWUBRAJQNIPBR-UHFFFAOYSA-N 417.412 4.618 0 1 HJAF COc1cc(Br)c([C@H](N)c2nc3cc4ccccc4cc3[nH]2)cc1OC 586975026 JCAILDJRUGDLCU-IBGZPJMESA-N 412.287 4.544 0 1 HJAF Cc1cc(Br)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 586983848 JWMLULVHQHEQKD-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF C/C=C\C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H]1CC(=O)OC)-c1ccccc1C4=O 586992616 QLBSVDCARJMOBY-SWTGODCJSA-N 413.473 4.937 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 587027000 OLBNDDOJGBTQEC-COXVUDFISA-N 400.935 4.748 0 1 HJAF O[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl 587057656 COFZSCXBJMDURY-CYBMUJFWSA-N 421.600 4.959 0 1 HJAF Fc1c(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F 587077537 VVKZBGWSWLCLHT-LBPRGKRZSA-N 412.621 4.874 0 1 HJAF COC(=O)c1cccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c12 587121823 MIJLKBFRJVNDTA-UHFFFAOYSA-N 401.344 4.772 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 587151395 ZADWGARWVMZYMU-UHFFFAOYSA-N 416.435 4.740 0 1 HJAF CC(C)(C)OC(=O)NCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335847 LLSTWNKPOPVKII-CVDCTZTESA-N 415.461 4.564 0 1 HJAF C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352589 LGRAHAJLZUKMBA-IXPCELSTSA-N 422.496 4.980 0 1 HJAF COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587400919 UEYZKYFSCBFAJA-RJYGXOMWSA-N 423.509 4.728 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)[C@@H](C2)C3=O 587422018 MZGORXPODNJIHH-DYZYQPBXSA-N 419.321 4.734 0 1 HJAF COc1cccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587442731 LFKMOMSWPHNBBR-BWKNWUBXSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OC)c1O)CC2=O 587457496 IWNXIHZUMOYUEE-MRXNPFEDSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Br)cnc3o1)CC2=O 587459765 PJURPTXKPINDDM-KRWDZBQOSA-N 402.244 4.955 0 1 HJAF C[C@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O 587504952 JVKJOMYEPQKKLH-FKIZINRSSA-N 400.858 4.777 0 1 HJAF O=C(O)c1cc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587507635 NOPHRPXZKUMODO-DEOSSOPVSA-N 405.425 4.640 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1O 587539154 IABVRKMMTJXSNZ-JXFKEZNVSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(=O)C(F)(F)F)cc1 587543508 CKQFMQHBVXZNOU-XLIONFOSSA-N 414.335 4.840 0 1 HJAF COc1ccc2c(c1OC)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599556 GPGBLXLQKZVANV-OFVILXPXSA-N 418.445 4.603 0 1 HJAF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622305 IXZPFBSHKJNHNF-UHFFFAOYSA-N 422.641 4.893 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723353 XDZZQDLDFUJASI-NTZVCXBSSA-N 410.155 4.907 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccc(F)cc3)c2)N1 587737595 YJQSCMBQZANXIP-YUNKPMOVSA-N 418.285 4.596 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cccc(N)c12 587746444 MWWLZMUHPIWDNT-VERVWZFWSA-N 409.302 4.977 0 1 HJAF COc1ccc(-c2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)cc1O 587786283 KXIHNQKMJNBMRC-UHFFFAOYSA-N 403.482 4.552 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587793740 KUWURNHPIRSLIO-MPBGBICISA-N 400.295 4.910 0 1 HJAF CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798554 OXTJHCJBYDLWPN-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816492 YWRMLYBFOYLLQQ-MQJDWESPSA-N 418.306 4.791 0 1 HJAF C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)NC1(CC1)Cc1ccc(Br)cc12 961615598 QERWKIQPPZFELX-SPLOXXLWSA-N 421.379 4.742 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21COCc2cccc(Cl)c21 962952657 IGHKJERTAHCIGP-NRFANRHFSA-N 423.862 4.784 0 1 HJAF CCOC(=O)c1cccc([C@@]2(CCc3ccc(F)cc3)NCCc3c(C)ccnc32)c1 963076980 VARWNLUQQYOKRW-AREMUKBSSA-N 418.512 4.728 0 1 HJAF CCOC(C)(C)CCc1c(O)cc(OC)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 1642676550 KWBHDTWRGKIAFV-LJQANCHMSA-N 400.471 4.561 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](C=CC3=CC(=O)O[C@@H]3O)[C@](C)(O)CC[C@@H]12 2356686384 CNXOWEJEIZUYTD-PWOLKMFLSA-N 402.575 4.754 0 1 HJAF CC1=C[C@H](CNC2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 2356835610 KTILFNYZAVEJOJ-MZKRTTBSSA-N 408.590 4.952 0 1 HJAF COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2Cl)cc1 1489481 CVNOMJHDXNVXRM-UHFFFAOYSA-N 424.932 4.640 0 1 HJAF Cc1ccc(OCc2nn3c(-c4cccc(Br)c4)nnc3s2)cc1 11279543 JFHDHFQHCPOYRQ-UHFFFAOYSA-N 401.289 4.503 0 1 HJAF Cc1cccc(COc2nn3c(-c4csc(C)n4)nnc3c3c2C2CCC3CC2)n1 13580826 HJWTVNIWFVQAHZ-UHFFFAOYSA-N 418.526 4.593 0 1 HJAF CCOC(=O)C1=C(CC)N=C(CC)/C(=C(/O)OCC)[C@H]1c1cccc(-n2ccnc2)c1 26746343 OEWJGOOOPDETEZ-VLMSHNLISA-N 423.513 4.854 0 1 HJAF Clc1ccc2c(c1)[C@]1(CN3CCC(Nc4ncccn4)CC3)C[C@H]2c2ccccc21 29481287 WQRWGWWLRZNMDS-OFVILXPXSA-N 416.956 4.842 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)C 40874504 OKHREEBDBYKLKA-XNIMZAECSA-N 404.547 4.602 0 1 HJAF O=C1CCCN1[C@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 66103027 STZYYZJYVDWLID-OAQYLSRUSA-N 413.399 4.722 0 1 HJAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2)cs1 82195358 REYSMYYVHPCKNI-KRWDZBQOSA-N 407.605 4.659 0 1 HJAF CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@@H](C)NC)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]3C1(C)C 86860199 GMNAPBAUIVITMI-UCAMKUOHSA-N 402.667 4.592 0 1 HJAF COc1cc2cncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC 95579569 TVVAVPFCJJKHSO-UHFFFAOYSA-N 421.541 4.610 0 1 HJAF COc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C2=NC(=O)CS2)cc1 95580147 FYNBUNKTYJXSPL-KRWDZBQOSA-N 420.321 4.783 0 1 HJAF CCCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 95594282 LHLPOJBXYYEZND-UHFFFAOYSA-N 405.538 4.667 0 1 HJAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1[C@@](C)(O)c1ccccc1 96168100 FHNPWGZMEVQGKD-VWLOTQADSA-N 414.509 4.510 0 1 HJAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(C)cc3)cc2)cc1 100092172 GLKFTWZJIMVERR-QEIWAGNOSA-N 413.521 4.642 0 1 HJAF CCc1ccc([C@@H]2C[C@H](C(=O)Nc3ccccc3)CN(C(=O)C(C)(C)CF)C2)cc1 114340056 IKTOOZHJDFEYBL-RTWAWAEBSA-N 410.533 4.816 0 1 HJAF O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1 116814763 CEEWGQSGRMFCET-UHFFFAOYSA-N 408.330 4.694 0 1 HJAF CC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@H](OC(=O)CC(C)C)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 238785618 AYDZRQYYCPUVMQ-SCDURKMASA-N 418.574 4.723 0 1 HJAF Cc1c(Br)cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1C 587040055 JBGUXBNHPCOVHV-ZDUSSCGKSA-N 412.353 4.925 0 1 HJAF Clc1ccccc1CCc1nc2c(I)cnc(Cl)c2[nH]1 587059013 LAXFLUPORCLLQF-UHFFFAOYSA-N 418.065 4.655 0 1 HJAF COC(=O)c1cc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1OC 587148960 FFAHYUKTNIKKLD-OAQYLSRUSA-N 424.403 4.805 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2O 587215099 BJFQNXRIAXPRLR-DADSWDADSA-N 415.577 4.847 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccnc(Cl)c2[nH]1 587230822 JIVGRJUQVVUEKO-UHFFFAOYSA-N 407.861 4.501 0 1 HJAF O=C(O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377076 QJWGSDFMTKRSOP-UNMCSNQZSA-N 412.438 4.712 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2Oc2cc(O)cc(O)c21 587378169 AKBNJQJSQIIJSW-JOCHJYFZSA-N 409.825 4.657 0 1 HJAF CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605649 AKYUKTZUHWQJOP-RDGATRHJSA-N 402.446 4.984 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccs2)n1 587613466 OZTZEQMEMMCPPG-XMSQKQJNSA-N 404.447 4.557 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccs2)nc1 587614791 UKZXVZXMKWWPKZ-WIYYLYMNSA-N 402.431 4.614 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2)N1 587675954 CDXWTPDILCSXIS-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(C(F)(F)F)N1 587703858 HJSJBYAOLJBGTC-HWPZZCPQSA-N 403.217 4.518 0 1 HJAF Cc1cc(Cl)c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587706275 PLAQSGWLDBMNQW-BTDLBPIBSA-N 408.702 4.821 0 1 HJAF Cc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774657 NJHYWDQIDAIMOU-RBZFPXEDSA-N 412.306 4.977 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)cc(C)n1 587867984 GAZGAQQJEJOQKB-UHFFFAOYSA-N 402.298 4.684 0 1 HJAF O=C1Nc2ccccc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1cccc(Cl)c1 653851675 YRQQVZYYFOTXIQ-NRFANRHFSA-N 410.260 4.997 0 1 HJAF COc1ccc2c(c1)[C@@](C)(c1cnc3nc4ccccc4n3c1C)N(C(C)C)CC2 962092838 QUGPMYMTGLPLAQ-VWLOTQADSA-N 400.526 4.730 0 1 HJAF COC(=O)C[C@@H]1CCCCC[C@@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962629998 DAPZBRHLJXJFRI-LLGBQNBKSA-N 418.581 4.772 0 1 HJAF COc1ccccc1OCc1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)o1 963630104 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CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1 82151040 JNCWSOQMXQQQJM-LAUBAEHRSA-N 410.537 4.828 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cccc4cccnc34)C[C@@H]1O2 84633928 HDVLRDBNFYWWPF-NVVBAYIOSA-N 416.521 4.867 0 1 HJAF C[C@@H]1CC[C@@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 169294300 IDEDPGPONCPOBU-QAJUQPOASA-N 414.343 4.759 0 1 HJAF O=S1(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]2[C@H]3CC[C@@H](C3)[C@]21N1CCCC1 169345589 RTQQRFWXLAKMMX-JKBGKOONSA-N 405.563 4.822 0 1 HJAF COCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703747 XDGJQWMWGCXACH-UHFFFAOYSA-N 400.885 4.997 0 1 HJAF C[C@H](O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)COc1cccc(Cl)c1 216671310 HLMGGYGKJKEYHC-LNLFQRSKSA-N 400.943 4.672 0 1 HJAF CCc1cc(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC)on1 224699619 ARYYWFZNZSTMAU-UHFFFAOYSA-N 422.268 4.779 0 1 HJAF in-vitro Oc1nc(CCc2ccccc2)cc(NC2CCCC2)c1I 299829423 URTREJSZOIRDJF-UHFFFAOYSA-N 408.283 4.532 0 1 HJAF O=C(Nc1ccc(-c2nc3ncc(F)cc3[nH]2)cc1)c1ccc(Br)cc1 586985093 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CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(N)cc2O1 587338707 RENQXLMJXJWKAF-LADGPHEKSA-N 403.409 4.664 0 1 HJAF C[C@H](N(C)C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341840 YTZNQMRKGMOYGF-CDSRXRBVSA-N 405.469 4.736 0 1 HJAF C[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O 587348598 DNHQHXSWNAUIRC-IWIQFXGASA-N 420.436 4.897 0 1 HJAF COc1ccc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587348833 HRDINFJRNAEKFK-ISKFKSNPSA-N 408.425 4.823 0 1 HJAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587350637 KWNRBMZLHPHCOK-UPVQGACJSA-N 408.425 4.823 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cccc(C(=O)O)c4)c1)[C@@H](C2)C3=O 587448583 FXJUOFUROCBKPG-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)c(Br)c31)CC2=O 587461775 YZEQIWZLAWCHIA-NRFANRHFSA-N 417.299 4.923 0 1 HJAF CCCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587483747 FTKCDMWYYIUBQG-OAQYLSRUSA-N 402.512 4.625 0 1 HJAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)O 587520870 GJGXXFGVNFPOHB-SPLOXXLWSA-N 410.466 4.523 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccc(F)c2)no1 587569640 IUDRAMFUMHKBRU-NZQKXSOJSA-N 403.365 4.889 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccnc(Cl)c23)N1 587706969 TZKQHHDPGQIFOG-VVVCHXIZSA-N 408.702 4.752 0 1 HJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1 587751251 LSAXEQAQDAQZID-SAZGQGMLSA-N 421.354 4.809 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587790629 IVTDHJFGPPQYNC-SBKAZYGRSA-N 423.326 4.508 0 1 HJAF COc1ccc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587805931 IDCWHRPNLSZIGC-MPBGBICISA-N 408.311 4.685 0 1 HJAF Cc1csc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587851183 HMJUMKSCDWOKPL-BMLIUANNSA-N 406.324 4.767 0 1 HJAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(C(N)=O)c2[nH]1 587948481 DPLGESDHZKEEGR-VWKPWSFCSA-N 419.525 4.946 0 1 HJAF Cc1noc(C2CCC3(CC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc23)n1 962947754 CMPRZEJVPHHQMP-UHFFFAOYSA-N 421.463 4.601 0 1 HJAF CC[C@@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522552 FKYCSUOTHBORIB-MCEYFSPLSA-N 401.506 4.737 0 1 HJAF COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2Cl)ccc1O 1857601254 PBWUTHJWSOQXJY-ACCUITESSA-N 404.853 4.924 0 1 HJAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61906929 FGVNMTSPLCWGKA-SANMLTNESA-N 415.537 4.705 0 3 HJAF Cc1ccc(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)c(C)c1 8602507 TYMIILNAUVQZLE-UHFFFAOYSA-N 401.466 4.756 0 1 HJAF CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(C3=CCC=N3)nc21 26817141 JMBYPEJVVRSCIC-UHFFFAOYSA-N 423.520 4.825 0 1 HJAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccc3C)CC1)OC(C)(C)C2 27894069 QODXLSRRBXPUQY-HSZRJFAPSA-N 424.585 4.617 0 1 HJAF COc1ccc(N2C(=O)[C@H](CCCc3ccc(O)cc3)[C@H]2c2ccc(O)cc2)cc1 28115957 GHIJPUBUZRQHSG-DNQXCXABSA-N 403.478 4.833 0 1 HJAF Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 28478144 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SHLTXVFUCTYPIT-BBRMVZONSA-N 409.404 4.712 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccc2)n1 167089380 AJINUHRTDLBLGI-UTKZUKDTSA-N 402.494 4.876 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21 169355384 ZNSKOGGQUHKREZ-ZRNHRWDASA-N 402.560 4.525 0 1 HJAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc([C@H]5CCCNC5)n4)cc32)[nH]1 221964472 UJPYNIQQOQOFKM-PMFHANACSA-N 404.539 4.715 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1 586966506 OXDTZCSZQXPECH-UHFFFAOYSA-N 403.511 4.542 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587042137 IFQHKIRMQVXZQF-NSHDSACASA-N 400.237 4.803 0 1 HJAF Clc1ccc(-c2cnccc2-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587075265 ATUKDXACQCNTGH-UHFFFAOYSA-N 404.901 4.778 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(C3)C(=O)Nc2ccccc21 587106293 KUAAOJQPUWKGDF-HHHXNRCGSA-N 402.453 4.825 0 1 HJAF CCn1ncc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587330241 NEXSWXDMQFOVQR-SIKLNZKXSA-N 416.399 4.576 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)cc1F)CC2=O 587465632 JFRMQSAZIFZJJP-KRWDZBQOSA-N 409.251 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cncc(C(=O)O)c3)cc1)CC2=O 587489404 LXXPMRAJPBNWFW-JOCHJYFZSA-N 403.434 4.811 0 1 HJAF Cc1nn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Br 587504143 PICDSOZSQWXQAI-HXUWFJFHSA-N 403.320 4.565 0 1 HJAF COc1cccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)on2)c1 587586897 LNEBTZATODQLKG-QPPBQGQZSA-N 415.401 4.759 0 1 HJAF O=Cc1cccc([C@]2(C3CCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603973 STSQGVXTWFUSNL-RDGATRHJSA-N 400.430 4.862 0 1 HJAF Cc1cc(Br)ncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587678463 CNUWUXNOQPLVKC-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF CCCCC[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587760045 WVJPOJYZNRHUDZ-XCLFUZPHSA-N 408.359 4.988 0 1 HJAF Cc1cc2c(n1-c1nn(COc3ccccc3F)cc1Cl)CC(C)(C)CC2=O 587946892 YRIWVBRVDUQVRX-UHFFFAOYSA-N 401.869 4.966 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 962944920 IGKXBDJQNYWUGK-YPRHSBRXSA-N 407.533 4.934 0 1 HJAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@@H]1CCCCC(=O)CCc3ccc([nH]3)[C@H]12 2356790990 GGQNIRCZPXJUJM-XPRYDPGISA-N 421.541 4.657 0 1 HJAF CCOc1cc2nc(=S)n(CCN3CCCC[C@H]3CC)c(O)c2cc1OCC 253530868 IDQXBRUHECKQOF-OAHLLOKOSA-N 405.564 4.533 0 3 HJAF CCOC(=O)OC[C@@H]1O[C@@H](CCc2ccccc2)CC[C@@H]1Oc1ccc(OC)cc1 7992531 YJHAZGIAAHLKAT-PMVMPFDFSA-N 414.498 4.796 0 1 HJAF CCOC(=O)c1ccc2oc(N[C@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 28019034 BXRWHICKONUQMI-LJQANCHMSA-N 405.429 4.935 0 1 HJAF C=Cc1ccccc1-c1cccc(S(=O)(=O)c2cc(C(=N)N)sc2SC)c1 29038800 KASWZNGUNKSYCW-UHFFFAOYSA-N 414.577 4.897 0 1 HJAF COP(=O)(OC)C(O)(C(C)(C)Cc1ccc(Cl)cc1)P(=O)(OC)OC 29222606 JIXOUTUIXBBOSF-UHFFFAOYSA-N 414.759 4.527 0 1 HJAF CCCN1CCN(c2ncc(CCN(C)CCCCCc3ccccc3)s2)CC1 40898961 KBYPSHMQTHLWMB-UHFFFAOYSA-N 414.663 4.562 0 1 HJAF COC(=O)[C@@H]1[C@H](C)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 64321172 SZHSMACEHOEENA-FPTDNZKUSA-N 405.519 4.678 0 1 HJAF Cn1c(-c2ccc(-c3ccc(N)nn3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71317019 NTOCENJFNJYPRA-UHFFFAOYSA-N 416.916 4.645 0 1 HJAF Cc1cc(Br)cc(C)c1Oc1ccc(=O)n(Nc2ccc(Cl)cc2)n1 72118203 HAGZPFOLVKASPL-UHFFFAOYSA-N 420.694 4.944 0 1 HJAF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@@H]3c1ccc(Br)cc1 73159806 WPBXAYGDJXNXAE-OAHLLOKOSA-N 413.296 4.736 0 1 HJAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@@H]1CCCN1C 82186682 VFTMAPUFVCDQFI-NRFANRHFSA-N 420.605 4.698 0 1 HJAF CCC[C@@H]1COc2ccc(C)c3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95552102 WSDCRTUTUJAMKG-JPGHVHQMSA-N 420.553 4.742 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100633236 MEFVQAOSGXKVKA-GUYCJALGSA-N 408.548 4.575 0 1 HJAF CCOC(=O)C1=C(c2ccoc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169715046 IXFMPLDXVRMBSB-ONNIGLJISA-N 407.466 4.537 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4Nc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@H]1CC[C@@H]2O 195512343 CDGIYWNEIDGTBY-SBCBXGLNSA-N 409.549 4.952 0 1 HJAF COC1=N[C@@H](C)Cc2cc(OC)c(-c3c(C)ccc4ccc(OC)c(O)c34)c(OC)c21 238744265 TXQACXQOFDYZMD-AWEZNQCLSA-N 421.493 4.884 0 1 HJAF Cc1ccc(CSCCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 586971108 UOSVJBYDWREIEC-UHFFFAOYSA-N 405.317 4.808 0 1 HJAF N[C@@H](N=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587000049 DQDKIFGZMSHDFC-IBGZPJMESA-N 411.259 4.781 0 1 HJAF Fc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120292 WMEGQZQJRNEUEC-UHFFFAOYSA-N 417.204 4.607 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2cc1OC 587157676 BCPYLHIOBPFAAI-UHFFFAOYSA-N 416.412 4.503 0 1 HJAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)c(F)cc4[nH]3)o2)c1 587158003 SRFYCSUWINRBCO-UHFFFAOYSA-N 423.192 4.578 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(C)cc1 587207748 UPBGKMYRIFVGAS-HNNXBMFYSA-N 406.711 4.707 0 1 HJAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)CC2=O 587464986 DNHGGLJVPXDXRL-DGVDTQEHSA-N 417.452 4.882 0 1 HJAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587530394 UGNTVZVJLBYADT-HHHXNRCGSA-N 424.452 4.717 0 1 HJAF CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cc(C(=O)O)nn1 587627596 DZURDGUVGDKZSA-UHFFFAOYSA-N 420.313 4.782 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2F)N1 587731923 MAHFSMBVODMVPQ-KWKYVRJSSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccccn2)N1 587755327 OUMJUTARGPUMOD-LHSJRXKWSA-N 414.322 4.651 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1 587762910 GUKVMOLWAMXIJO-KRYHZZBUSA-N 406.343 4.946 0 1 HJAF C[C@H]1CCN(Cc2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587767732 KIXQPCMJZCNLBN-WJONJSRFSA-N 417.366 4.860 0 1 HJAF COc1ccc(-c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790019 BIPMFLSUKCKMIB-GIPWTMENSA-N 417.278 4.875 0 1 HJAF COc1ccc2c(c1)OCC([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 587834506 LBNCHELBLIMPGW-GIPWTMENSA-N 404.279 4.648 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1 587835191 OBRHIGBNVOIJNL-AVHPMIGVSA-N 418.306 4.699 0 1 HJAF COc1ccc(/C=C\Cc2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c1 587928627 GHFRKBDUGRBOEX-ARJAWSKDSA-N 408.683 4.647 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)c1 587931317 HARXJFUAECFYKN-UHFFFAOYSA-N 423.266 4.938 0 1 HJAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587935778 JFERWNZNUMXFLM-RUZDIDTESA-N 413.521 4.584 0 1 HJAF C[C@H](CF)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2C[C@H]1C 653739114 VODMTYYFRNWSLU-MUUYEXFJSA-N 419.443 4.710 0 1 HJAF Cn1c([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)nc2ccc(Cl)cc21 962716054 QCPMLFFTZMWHAF-QRQCRPRQSA-N 415.965 4.993 0 1 HJAF CCc1ccccc1[C@@]1(c2ccc(F)c(F)c2)NCCc2ccc(C(=O)N(C)C)cc21 962931557 OATLDJPRMJXVDQ-AREMUKBSSA-N 420.503 4.667 0 1 HJAF Cc1cccn2c(Br)c([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)nc12 963102630 FXOWONOEIMKDHZ-CRAIPNDOSA-N 400.295 4.654 0 1 HJAF COc1ccc(-c2c(OC)c(O)c(-c3ccc(OC)cc3)c3sc(CO)nc23)cc1 1857543147 QTAZRAUBEWBCHH-UHFFFAOYSA-N 423.490 4.854 0 1 HJAF O=S(=O)(NCc1ccc(-c2ccc(F)nc2)cc1)c1cc2ccc(Cl)cc2[nH]1 1857594963 PEIQYSXSWASHDQ-UHFFFAOYSA-N 415.877 4.501 0 1 HJAF CC(=O)c1ccc2oc3c(c2c1)[C@H](C(=O)c1ccc(O)c(C(C)=O)c1)[C@H](C)C[C@@]3(C)O 2356672426 ISZNBGSYLBIBDP-VEQKYRJSSA-N 420.461 4.757 0 1 HJAF CC(C)C[C@H]1NC(=O)c2ccc(Cl)cc2-n2c1nc1ccc(Cl)cc1c2=O 61949377 BSFJGSGLRRUGGM-MRXNPFEDSA-N 402.281 4.523 0 3 HJAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCC[C@H]1O 773347 CUNQDEORRYQIQP-RBUKOAKNSA-N 424.472 4.580 0 1 HJAF CC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 3955826 BYOKIOUNMIAZRD-KRWDZBQOSA-N 408.386 4.559 0 1 HJAF COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCN(C)CC1 13472788 WPCUQWCGLJALCN-UHFFFAOYSA-N 410.493 4.550 0 1 HJAF CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 13553798 JLNLRZPQHZYRIB-UHFFFAOYSA-N 406.452 4.752 0 1 HJAF O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCc2cc(O)ccc2C1 13589143 FNBHRSRGFXKYCU-UXBLZVDNSA-N 412.533 4.784 0 1 HJAF O=S(=O)(Cc1ccc(Cl)cc1)NCCCCCCCCCCc1c[nH]cn1 26838133 AGJNADSDYKCFNM-UHFFFAOYSA-N 411.999 4.846 0 1 HJAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](c3nnnn3C3CCCCC3)CN(C)[C@@H]1C2 27724042 NRUGKPNQINKIOA-JMUQELJHSA-N 418.589 4.842 0 1 HJAF COc1cc([C@@H]2SCC(=O)N2CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 40393214 CUXXKHVDTJIOJR-WPLPQICOSA-N 417.571 4.503 0 1 HJAF CS(=O)(=O)c1cccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)c1 40897349 KZAXSIUMEOOCFD-UHFFFAOYSA-N 424.507 4.540 0 1 HJAF CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 45210493 YCBNWPADSVBZNL-IBGZPJMESA-N 413.565 4.782 0 1 HJAF C/C(=C\CC/C(C)=C/CO[P@](=O)(O)OP(=O)(O)O)CCC=C(CF)CF 64446573 PVNRGYDHHSWPHV-HJAIQHMZSA-N 418.310 4.531 0 1 HJAF in-vitro COC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1Br 64513631 UTADARPAPUUSFV-UHFFFAOYSA-N 420.284 4.713 0 1 HJAF CN(C(=O)c1cccc2ccccc12)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71334826 BZWCISCHRZMKIS-GOSISDBHSA-N 412.489 4.509 0 1 HJAF O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccccc1Cl 72120137 GDYFWPDOFWEFRG-UHFFFAOYSA-N 413.717 4.958 0 1 HJAF NC(=O)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 95562552 PUNUAKCTTAYYNN-UHFFFAOYSA-N 401.510 4.709 0 1 HJAF CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 101556664 KCTYPUKDSRNILF-BETUJISGSA-N 402.905 4.510 0 1 HJAF Cc1ccoc1C(=O)Nc1cc(Oc2ccnc(-c3cc(C(=O)O)c[nH]3)c2)ccc1F 116233831 STWRTVHIAAFEFU-UHFFFAOYSA-N 421.384 4.860 0 1 HJAF COc1cc2c(cc1OC)C(c1sc3cc(OC)c(OC)cc3c1Cl)=NCC2 144694886 JRQITFXAUJQGQP-UHFFFAOYSA-N 417.914 4.983 0 1 HJAF Cc1ccc(N2C(=O)[C@@H](NC(=S)NC3CCCCC3)[C@H]2/C=C/c2ccccc2)cc1 299827420 IZLFXXLZNSFVHC-XLJDDZJLSA-N 419.594 4.589 0 1 HJAF CCC[C@@H]1Cc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc2O1)CC(C)(C)CC3=O 299869066 TXWPKOAVOIYSHT-CYBMUJFWSA-N 414.933 4.797 0 1 HJAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905694 YYSHSJBURKIUQS-UHFFFAOYSA-N 413.886 4.766 0 1 HJAF N=c1[nH]cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc-2[nH]1 587013426 OIMLSFAKDDNGEN-UHFFFAOYSA-N 418.913 4.752 0 1 HJAF Cc1ncsc1CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587026429 FFBBQPWXXQTAAO-UHFFFAOYSA-N 406.227 4.774 0 1 HJAF Nc1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(-c2ccccc2Cl)n1 587060319 AMLHAQASFZVWHL-UHFFFAOYSA-N 407.758 5.080 0 1 HJAF CCOc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)ccc1OC(F)F 587129767 FYZXHLXWNFGCHI-GQCTYLIASA-N 410.218 4.891 0 1 HJAF CC(=O)Nc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341685 ZPWHAWPXWHNAAQ-UPVQGACJSA-N 405.425 4.764 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Br)ccc1O)(C(C)(C)C)O2 587375079 CBNLAMKANWJHHV-FQEVSTJZSA-N 404.304 4.952 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCSc4ccc(Br)cc41)[C@@H](C2)C3=O 587453925 SRPQFJHTXJASIC-IFXJQAMLSA-N 403.297 4.596 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601962 VYQLUHLYOPLWDZ-WIOPSUGQSA-N 418.445 4.603 0 1 HJAF Cc1csc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613377 OKMYBMMYYKNEKT-WIYYLYMNSA-N 404.447 4.651 0 1 HJAF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c1C 587622189 CMCOQHHPUIPZIU-UHFFFAOYSA-N 422.233 4.500 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)n2)N1 587682039 MFRYPGLINCRWGT-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccccc2)N1 587722881 UKUYDJAXSRVWKK-NSPYISDASA-N 412.249 4.590 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccccc2)N1 587762022 COPKMEWYFBLEAT-FKIZINRSSA-N 400.295 4.612 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587763638 KSGTXXLZXXMONR-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587780058 XYKKQPVAORUVFS-YBTHPKLGSA-N 419.294 4.869 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2c1OC 587781139 QLJKBYREQBPFGK-UHFFFAOYSA-N 418.449 4.613 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2)o1 587871351 FXBUUZAZMHSYJD-UHFFFAOYSA-N 406.413 4.948 0 1 HJAF COc1cccc2c(NCc3ccccc3)nc(Cn3c(C)nc4ccccc43)nc12 653803672 IFQWSVQRJWKZJV-UHFFFAOYSA-N 409.493 4.957 0 1 HJAF CC(C)(C)[C@]1(c2ccc(CN)s2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693260 BHTOLPSKUVMMHH-OYHNWAKOSA-N 404.620 4.999 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C1(c2ccccc2Cl)CCOCC1 963614664 YGTZBXXTMMESAW-OYHNWAKOSA-N 401.934 4.681 0 1 HJAF CSc1nc(Cl)cc(Sc2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)n1 1857554515 CNFABRSACJDADK-UHFFFAOYSA-N 403.842 4.807 0 1 HJAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@@H](c2cccs2)N2C(=N1)Nc1ccccc12 1857567706 UCCOOBMVTLDQJJ-BDJLRTHQSA-N 407.417 4.859 0 1 HJAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4cccc(F)c4)CC3)c2)cc1 1857637411 WZYQDWOOAZBCFD-UHFFFAOYSA-N 418.468 4.737 0 1 HJAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@@H](OC(C)=O)C[C@]12C 2356434577 WWVYCXGWNHHXOT-QAEOVTHMSA-N 408.579 4.667 0 1 HJAF CC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 2356472180 NEFYKPBXUDOECH-SQJMNOBHSA-N 422.477 4.672 0 1 HJAF CC(C)=CCC[C@H](C)[C@]1(O)CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@@H]21)C(=O)O[C@H]4C[C@]3(C)O 2356644057 QQIDJUCXUQXXFU-HGGREKDHSA-N 402.575 4.549 0 1 HJAF COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccccc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 206035612 IRZREWIVNDHEMQ-YGBDOONVSA-N 420.509 4.549 0 3 HJAF CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)cc1OC 2484778 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CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1ccc(OCCN)cc1 963221821 AVCGTYOINXSMSJ-KDYSTLNUSA-N 400.566 4.973 0 1 HJAF CCO[C@H](C)n1nccc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833212 SYYPFFHHDKIWFU-CRICUBBOSA-N 416.525 4.734 0 1 HJAF Cc1nn(Cc2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)cc2)c(C)c1CC(=O)O 1772623192 YRMYMJMJAYOSBX-UHFFFAOYSA-N 412.852 4.511 0 1 HJAF C[C@@H](C(N)=O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772642798 KXPATQPDYGJJOM-GFCCVEGCSA-N 401.392 4.571 0 1 HJAF Fc1ccc([C@H]2c3ccc4ccccc4c3Oc3[nH]c(=S)n4nnnc4c32)cc1 1857579944 DJCBLPOAZNLEPO-INIZCTEOSA-N 401.426 4.760 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCC[C@H](Nc3cccc(C(F)(F)F)c3)C2)c1 1857751588 VXYFBXUCBLMQNG-KRWDZBQOSA-N 408.493 4.991 0 1 HJAF CO[C@@H]1O[C@]2(OC)C=C[C@H](C)[C@@H]2[C@@H]2[C@H](C(C)=CCC=C(C)C)C[C@@H](OC(C)=O)[C@H]12 2356440047 LFEUVENANNYFTC-VGHJIGSNSA-N 404.547 4.641 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@@]1(C)CCC[C@@H]2C1=CCCC2(C)C 2356788775 CLIMBDYMVVYQHF-SSYAZSBWSA-N 408.579 4.813 0 1 HJAF O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205229188 CTBAIBKGAKGNGQ-MEBBXXQBSA-N 413.663 4.661 0 3 HJAF O=C(O)[C@@H]1CCCN(CCOC2(c3ccccc3)c3ccccc3-c3ccccc32)C1 13737917 LHKRFOVRKWCSPL-HXUWFJFHSA-N 413.517 4.772 0 1 HJAF CS(=O)(=O)c1ccc(-c2nc3sc(C(F)(F)F)nn3c2-c2ccccc2)cc1 28975711 YBKLASQHGUPEDZ-UHFFFAOYSA-N 423.441 4.547 0 1 HJAF COc1cc2c(cc1OC)-c1cc(Nc3ccc(Cl)cc3Cl)nc(=O)n1CC2 29306645 MPPOILDBYGIGIH-UHFFFAOYSA-N 418.280 4.534 0 1 HJAF CC(C)=CC[C@H](C(N)=O)N(Cc1ccc(C)cc1)Cc1cc(-c2ccccc2)on1 29563024 ASUHCFKXSBCUFB-HSZRJFAPSA-N 403.526 4.862 0 1 HJAF Fc1ccccc1N1CCN(CCCCNc2cc(-c3ccccc3)ccn2)CC1 35826785 YDQYJYPAQZRPCT-UHFFFAOYSA-N 404.533 4.902 0 1 HJAF CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1C(=O)O 45354963 DPXVVFPBUNKHGJ-UHFFFAOYSA-N 409.463 4.931 0 1 HJAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)C1 82133411 BCMIYEJMVYXRQR-RTBURBONSA-N 400.526 4.556 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccc(F)cc2)n1 82141122 FCCLKMNKIZDCHG-HNNXBMFYSA-N 410.468 4.605 0 1 HJAF CCOc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 84707048 PGJXSPKGOVDXKL-UHFFFAOYSA-N 415.493 4.530 0 1 HJAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 101055234 ZVUBOJJCNXGQFS-KAOXLYBCSA-N 412.574 4.869 0 1 HJAF COc1ccc(/C=C2\SC(=O)N([C@H](C(=O)C3CC3)c3ccccc3F)C2=O)cc1 103264302 BIKIDUUDQTWLPX-OVCORXIESA-N 411.454 4.591 0 1 HJAF CCN(Cc1ccc(F)cc1)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103300991 ABGMDFLLZUSRRW-UHFFFAOYSA-N 404.485 4.756 0 1 HJAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1coc2ccccc2c1=O 103351620 RPKTUOJFZNRNDO-FQEVSTJZSA-N 407.466 4.800 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1 139499602 ULRZEXNCMHFJNG-QZTJIDSGSA-N 413.477 5.000 0 1 HJAF CC1(C)OC(=O)N(c2ccc(-c3nnc4ccc(Cl)nn34)cc2)[C@H]1c1ccccc1 147564051 UVXCWRANAJLQCC-IBGZPJMESA-N 419.872 4.921 0 1 HJAF Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CCCNC4)ncc3Cl)n2)c1 169703689 DRSVGIDJQGJGIF-QGZVFWFLSA-N 411.912 4.712 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)[C@@H](N=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713491 HDLLXPNGACHELV-XETBBVKDSA-N 403.611 4.900 0 1 HJAF CCCn1c(Nc2cccc(C(F)(F)F)c2)nc2nc(C3CCCC3)[nH]c2c1=O 205309022 VSYYYHKLAUXMCY-UHFFFAOYSA-N 405.424 4.950 0 1 HJAF Cc1nc(Br)sc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587011403 OSBQBPMYEVWAPE-UHFFFAOYSA-N 400.305 4.589 0 1 HJAF Cc1nc(COc2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)cs1 587020340 OALMJWWIHMRTMN-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Cl)ccnc3[nH]1)N2 587030557 FRGWDLIHDLQQHC-CAXXOGMASA-N 405.936 4.738 0 1 HJAF Cc1onc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1COc1ccc(Cl)cc1 587075386 HHWIFPDWXQWAEP-UHFFFAOYSA-N 401.781 4.596 0 1 HJAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cc(Br)c2[nH]1 587079708 KOKYCGRTBBCRRL-CYBMUJFWSA-N 407.674 4.842 0 1 HJAF O=S(=O)(c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1)C(F)(F)F 587085451 TVBPOISSMXEPIY-UHFFFAOYSA-N 411.792 4.725 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Cl)ncc(Br)c2[nH]1 587147313 KWGMXNRKUXVKHE-UHFFFAOYSA-N 424.636 4.720 0 1 HJAF Cc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333146 HTHQCNOOPYNMCU-NOZRDPDXSA-N 419.452 4.986 0 1 HJAF CCNC(=O)c1cccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587388185 XIRRNBDMXPXZDC-QHCPKHFHSA-N 400.478 4.700 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cccc(O)c14)[C@@H](C2)C3=O 587429285 ATQVXILPDZMMNZ-FPTDNZKUSA-N 421.449 4.627 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C[C@H]1C)CC2=O 587474653 GXFNPEPJQSIRJJ-NSYGIPOTSA-N 423.509 4.727 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OC)ccc1OC(C)C)CC2=O 587482802 JMCVXERMNDVXOT-XMMPIXPASA-N 412.482 4.799 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)c3ccccc3)cc1)CC2=O 587490221 WNIURHFGLKOYDM-QHCPKHFHSA-N 422.502 4.884 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2Cl)c1 587547190 LCOCCJIFBDSHQQ-OFNKIYASSA-N 418.836 4.934 0 1 HJAF COC(=O)c1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587548369 WKBRZPPRSZPUBH-NQIIRXRSSA-N 410.809 4.535 0 1 HJAF CC(C)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580612 SUHAVTFULWPGNK-BWKNWUBXSA-N 417.461 4.864 0 1 HJAF CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595989 MLHYSCWWPOGPTJ-YQOVMPOYSA-N 412.482 4.872 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)o1 587615501 XPVYETQPRQZLLW-NQIIRXRSSA-N 418.430 4.629 0 1 HJAF COC(=O)c1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587701565 NXIKTLVBNCOOMI-XLFHBGCDSA-N 412.686 4.652 0 1 HJAF CCCCc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1 587702454 XRZPANHARSTVPN-PSLIRLAXSA-N 400.723 4.931 0 1 HJAF CC(C)n1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587709966 PMBRYMDBHCSSAC-HWPZZCPQSA-N 420.248 4.706 0 1 HJAF Cc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12 587779462 SLVSACXBGLIJAI-WYRIXSBYSA-N 401.279 4.774 0 1 HJAF CCOC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587792881 DFNZSKCNMVQEIW-SCLBCKFNSA-N 420.322 4.973 0 1 HJAF Cc1csc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587850391 DRDBIGLDYNGOHY-BTDLBPIBSA-N 406.324 4.767 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C)cc1 587862845 YZESMYYZKOZEDR-AWEZNQCLSA-N 404.388 4.994 0 1 HJAF CC(=O)N1N=C(c2ccc(Br)cc2)O[C@H]1c1ccc(Cl)c(Cl)c1 653716312 ZGNPMMZMNFDCPT-INIZCTEOSA-N 414.086 4.995 0 1 HJAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](CC)(C1CCC1)N2C(=O)OC(C)(C)C 962709758 OKWXFNMLBKWFTF-DNQXCXABSA-N 417.521 4.882 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1c1coc2ccc(Cl)cc2c1=O 963269014 DCMWRKUBPAFURV-GOSISDBHSA-N 404.691 4.786 0 1 HJAF O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 1772630228 HGIDDZPEVSEWTC-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)[C@H](c1ccc3c(c1O)C=CC(C)(C)O3)CO2 1772647910 GFSKHXIPDXJIRM-KRWDZBQOSA-N 422.477 4.855 0 1 HJAF COc1ccc(-c2nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cn3n2)cc1 1857609097 ICQWOWVMIVXSQF-UHFFFAOYSA-N 411.824 4.841 0 1 HJAF CC(=O)Nc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1 1857612925 OGLVKNFLOWCEEQ-VWLOTQADSA-N 409.489 4.914 0 1 HJAF C[C@@H]1OC(=O)[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 2356632136 WJSGBVFFQLYGRE-NDIZNNEZSA-N 416.602 4.773 0 1 HJAF CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2c1N(C)CCC(C)C 61904638 RQLHVBROFBKQMJ-UHFFFAOYSA-N 421.545 4.590 0 3 HJAF O=c1c(-c2ccco2)nc2ccccc2n1[C@H](c1ccccn1)c1nc2ccccc2[nH]1 95600744 NWGQGFXWBSXSGK-HSZRJFAPSA-N 419.444 4.566 0 3 HJAF C[C@H]1[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044571 AVOLNDOZSQFNDU-BBTHKVSRSA-N 423.479 4.787 0 3 HJAF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccsc2)cc1 4053026 QYRCEHXHHYMMAP-JTHBVZDNSA-N 420.534 4.598 0 1 HJAF CCCC[C@@](O)(c1ccccc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26009989 AJBFTKKXGPDMJF-NHCUHLMSSA-N 420.340 4.551 0 1 HJAF CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@H]1O3 26833465 JCJXWNVOVZEIHE-XMMPIXPASA-N 420.509 4.755 0 1 HJAF O=C(O)/C(=C/c1ccc(-c2ccccc2OC(F)(F)F)o1)NC(=O)c1ccccc1 28523402 SMRVYZCCRQKFLS-VBKFSLOCSA-N 417.339 4.701 0 1 HJAF O=C1[C@@H](c2ccccc2)[C@@H](c2cccnc2)N[C@H](c2cccnc2)[C@@H]1c1ccccc1 34145224 QUBUVGOIRQLXMK-QEGGNFSNSA-N 405.501 4.999 0 1 HJAF O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc3ccccc3c2)CC1 40872401 LTJXJHFAIGYYPR-UHFFFAOYSA-N 408.929 4.653 0 1 HJAF NC(=O)c1sc2nc3c(c(-c4ccc(C(F)(F)F)o4)c2c1N)CCCCCC3 49070922 VHLDQURHHUWKSX-UHFFFAOYSA-N 409.433 4.915 0 1 HJAF O=C(O)c1cc(CN2CCc3ccccc3[C@H]2C2CCCCC2)c2ccccn2c1=O 66074854 JDGJRPQBTFMXDE-XMMPIXPASA-N 416.521 4.677 0 1 HJAF c1ccc2c(CNc3ccnc(N4CCN(C5CCCCC5)CC4)n3)cccc2c1 72122801 DPVZNLKVPWECGM-UHFFFAOYSA-N 401.558 4.697 0 1 HJAF O=C(Nc1cccc2ccccc12)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 73313040 LYNQTBTZJCDKSB-SGNKAXLRSA-N 410.473 4.628 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 82142511 FZVOJMJIVJWBSW-UHFFFAOYSA-N 418.541 4.944 0 1 HJAF COc1ccc([C@H]2C(c3ccccc3)=NO[C@]23CSc2ccccc2C3=O)cc1 103190276 ALLFBYZEWBKUOB-XUZZJYLKSA-N 401.487 4.941 0 1 HJAF CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 104700494 DSBZIDWHQCJWBA-QFIPXVFZSA-N 422.525 4.872 0 1 HJAF C/C=C(/C)c1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1 169162898 IPZIWQBJPCWXFW-BNCCVWRVSA-N 403.530 4.780 0 1 HJAF COc1cccc(OC)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 219417479 BTTXIJRLJKSCBW-MRXNPFEDSA-N 401.459 4.881 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C 238756906 GGMWMNYLFJKWII-UAZDMHSESA-N 416.514 4.955 0 1 HJAF COc1ccc2c(c1)CN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)C2 299805742 AQZKOCOTDHBMJV-HNNHSTSXSA-N 422.544 4.928 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@H]4[C@@H]3CC[C@H]12 299820286 IVMOGXVDSLYJFW-QUTVGZJZSA-N 424.610 4.956 0 1 HJAF OCC12CCC(c3nc4cc(Br)c(Br)cc4[nH]3)(CC1)CC2 586895642 RDDNZXBDNGARAX-UHFFFAOYSA-N 414.141 4.672 0 1 HJAF Oc1ccc(-c2ccccc2-c2nc3cc(I)cnc3[nH]2)cc1 586899053 RUYCKUUGEUONOU-UHFFFAOYSA-N 413.218 4.602 0 1 HJAF Cc1nc2c(C)ccc3c2c(c1CCOc1ccccc1C(N)=O)-c1ccccc1C3=O 586997652 UXXDQLPWQGFTRE-UHFFFAOYSA-N 422.484 4.783 0 1 HJAF Cc1c(Cl)ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587001974 CQWRFGOTAOGLEH-JTQLQIEISA-N 405.679 4.923 0 1 HJAF FC(F)(F)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587119400 WUNCFJZEGHQAKB-UHFFFAOYSA-N 401.270 4.500 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 587156662 OTJUNLADMVDUOS-UUOWRZLLSA-N 417.440 4.622 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c1 587240868 QMWMDQBDBQEZMQ-UHFFFAOYSA-N 407.495 4.776 0 1 HJAF Cc1ccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1N 587250883 REFYOCWZOYNIHZ-UHFFFAOYSA-N 414.225 4.900 0 1 HJAF Nc1ccc(C(=O)CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 587251160 ABVPAKJQDLZRNC-UHFFFAOYSA-N 412.209 4.742 0 1 HJAF Cn1nc(C(F)(F)F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332466 SHORROXDDWGYMX-UYAOXDASSA-N 420.362 4.558 0 1 HJAF CC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341526 XYHCQVVRZRIXRQ-AUSIDOKSSA-N 415.461 4.564 0 1 HJAF COc1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587444279 SNRXUOLFWNSJMJ-PXDATVDWSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2cc(F)ccc21 587473284 ZLGJURGVUKMSMU-HXUWFJFHSA-N 419.246 4.973 0 1 HJAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br 587539476 IPSVACSCYRKGKE-YLJYHZDGSA-N 412.239 4.561 0 1 HJAF C[C@@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547074 LDUYTMSWJJRMTN-NQIIRXRSSA-N 415.367 4.870 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586011 AOFZDWNBJIJLTO-YADARESESA-N 421.449 4.727 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCN(Cc1ccccc1)CC2 587595606 PHEXRBUIXRUFJA-BVAGGSTKSA-N 415.489 4.779 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)n2)N1 587680292 IIXZEXASEAYAIC-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF Cc1nn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587693118 CWUCOOZORYUIIL-XYZCENFISA-N 400.723 4.505 0 1 HJAF CCn1ccnc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587756583 SGLKQSVUYWAWBE-SZNDQCEHSA-N 414.322 4.631 0 1 HJAF CCOC(=O)c1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794788 GQJLQCNPJJAUCN-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cccs2)N1 587849549 AUCKNQZWZISUQM-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCCN1CCCC[C@@H]12 961748208 JKIBGUIZTBBUBM-BWKNWUBXSA-N 411.590 4.682 0 1 HJAF CCOc1ccccc1[C@@]1(CCCC(=O)O)N[C@H](CC)Cc2c1[nH]c1ccccc21 962947533 JSFWEFBEAUHZCY-CRICUBBOSA-N 406.526 4.989 0 1 HJAF CC(C)(O)c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1 1857564167 CBLLYXJXOOCYET-UHFFFAOYSA-N 422.492 4.824 0 1 HJAF O=C1CN(Cc2ccccc2)C(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857640099 WNYJILYFEKJXNX-UHFFFAOYSA-N 418.362 4.858 0 1 HJAF CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C=CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)O)[C@H]12 2356506248 GUBKYEIHAMSZRO-MZKZSIKDSA-N 406.563 4.586 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@H]12 2356846259 OLSHLOATNKEAHT-SYVBKYFUSA-N 406.563 4.586 0 1 HJAF O=C(c1ccncc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3955705 YSAKEIKMVFJIPU-MHZLTWQESA-N 411.549 4.799 0 1 HJAF O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4208094 RAGVNJAZKKKNJV-GGAORHGYSA-N 420.896 4.627 0 1 HJAF C(CCCCc1nnc(N2CCCCC2)o1)CCCc1nnc(N2CCCCC2)o1 5841606 QSAAYCMBTXGCHP-UHFFFAOYSA-N 416.570 4.559 0 1 HJAF COc1cc2c(cc1OC)[C@H](C(=O)c1ccc3c(c1OC)C=CC(C)(C)O3)CCO2 13434212 CDEURCNNKHGUSQ-CQSZACIVSA-N 410.466 4.646 0 1 HJAF biogenic Cc1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1 26388805 OALUSYKIWHRQFJ-UHFFFAOYSA-N 410.264 4.889 0 1 HJAF COc1ccc(C2=NN(C/C=C/c3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26569769 KKMHBNSEVLDXRU-WTUWHVHBSA-N 404.510 4.770 0 1 HJAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccncc3)nc2n1 27406656 LZXUEYOWYLYCGI-UHFFFAOYSA-N 410.264 4.954 0 1 HJAF COc1cc(C(=O)O)ccc1COc1ccc(C(C)=O)c(OCc2ccccc2)c1 27895600 BMQHBOMSYYFQJP-UHFFFAOYSA-N 406.434 4.754 0 1 HJAF NCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 28825843 JPIMYVSNIMULBP-PGMHBOJBSA-N 409.961 4.948 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153169 RYPMTHMHTXUIIA-LCZCFEKFSA-N 400.607 4.545 0 1 HJAF Cc1c([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC[C@H]2CC(=O)CC[C@@]21C 36443790 JMODFFYUZXUAMQ-QQAMSOAUSA-N 409.614 4.883 0 1 HJAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(=O)[C@@H]5CCCN5)CC[C@]4(C)[C@H]3CC[C@]12C 45245075 JBSOKKAUDFDUFK-IDCUECRKSA-N 413.602 4.818 0 1 HJAF O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)Nc1ccccc1 66114077 AZFSGKIBNPQHQD-NVNXTCNLSA-N 407.278 4.668 0 1 HJAF CCOC(=O)[C@H](CC)Oc1ccc(NC(=O)COc2ccccc2[C@@H](C)CC)cc1 95558792 ZBVIBDLGVQMGFS-UWJYYQICSA-N 413.514 4.938 0 1 HJAF CCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Oc1ccccc1)CC2 96168388 UEUCSIKZCAJMRP-UHFFFAOYSA-N 424.888 4.538 0 1 HJAF c1ccc2nc(N3CC(Oc4nccnc4-c4cccc5ncccc45)C3)ccc2c1 96168831 BUFRSVIEQJSSTL-UHFFFAOYSA-N 405.461 4.508 0 1 HJAF O=C1N(c2ccc(Cl)cc2)c2cscc2S(=O)(=O)N1Cc1ccccc1 103274828 XDOZAJPLZAOHNZ-UHFFFAOYSA-N 404.900 4.864 0 1 HJAF CCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 114367711 YIGPRAVAOIAMEC-UHFFFAOYSA-N 421.537 4.573 0 1 HJAF C[C@H]1CCC[C@@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 142827341 NXQHNMMSSKQLOJ-HDICACEKSA-N 417.513 4.920 0 1 HJAF CC(C)CNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224576982 SQWYWDWUIBZONM-UHFFFAOYSA-N 408.481 4.783 0 1 HJAF CC1(C)[C@H]2CC[C@]34C=C[C@](C)(C3)C(=O)C[C@H]4[C@]2(C)[C@@H]2[C@@H](c3ccccc3)OC(=O)[C@@]21O 238746136 FUGNURRLVDNLHA-JUEOXSIZSA-N 420.549 4.630 0 1 HJAF CCOC(=O)OC[C@@H]1O[C@H](CCc2ccccc2)CC[C@H]1Oc1ccc(OC)cc1 299813363 YJHAZGIAAHLKAT-MZYLBHOOSA-N 414.498 4.796 0 1 HJAF Cc1ccc2c(ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c32)n1 587019298 WXCXIUWXVOMMOJ-UHFFFAOYSA-N 414.490 4.905 0 1 HJAF Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059700 VASBXLYAOFDTTJ-UHFFFAOYSA-N 424.295 4.737 0 1 HJAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587065372 YTHHNDZUGORMSD-UHFFFAOYSA-N 416.886 4.849 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587119128 YOQVWGNQIJIYGU-UHFFFAOYSA-N 413.119 4.764 0 1 HJAF FC(F)(F)c1nc2ccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2[nH]1 587120708 TYLAIGZYKBVBID-UHFFFAOYSA-N 416.588 4.936 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159137 NAUGRFSORSCTIW-UHFFFAOYSA-N 414.440 4.814 0 1 HJAF CC(C)(C)OC(=O)N(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C[C@H]1CCCO1 587197984 YJJBCCSWNVNSMZ-GFCCVEGCSA-N 417.403 4.637 0 1 HJAF CCOC(=O)C[C@]1([C@H](C)CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349030 OXLJCTRGNFZIMI-LMIFWLCCSA-N 400.446 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccc(C)cc4C)c1Cl)[C@@H](C2)C3=O 587418428 AWVPLSZEKLIZRH-KSFYIVLOSA-N 408.885 4.948 0 1 HJAF COCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(OC)ccc21 587513541 CAXJPUBVAAFXDL-DEOSSOPVSA-N 405.494 4.882 0 1 HJAF Cc1cc(Cl)c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 587550488 BHNWDCCVDUUGEN-NQIIRXRSSA-N 406.825 4.705 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncc(Br)c2)N1 587686244 SQSSQWJTKRVSTA-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(F)F)N1 587719656 QYKJMDQLBGHNTK-XTZNXHDOSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cccc(F)c2)N1 587733885 SRSDMHAUDXNEMK-OVWNDWIMSA-N 404.258 4.741 0 1 HJAF Cc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587739170 GFGGTAFYYZCGAM-YCUVSSSZSA-N 403.339 4.750 0 1 HJAF CCn1c(=O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21 587766583 GLBWTCYISVCQNB-ODXCJYRJSA-N 415.306 4.547 0 1 HJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587788037 ZCXXOCKKTRYUJO-NWDGAFQWSA-N 411.330 4.556 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(C)(C)C)n[nH]1 587866023 BEGRVNKZWBQZDT-UHFFFAOYSA-N 406.408 4.677 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2c1 587952467 RNMQLRNHBVYICS-QINHECLXSA-N 407.580 4.688 0 1 HJAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962630765 SVIOBBFWBOENQC-NYHFZMIOSA-N 421.459 4.654 0 1 HJAF COc1cc(OC)cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962632261 LEWBTXCHUOWJNZ-NVQXNPDNSA-N 400.522 4.540 0 1 HJAF CC(C)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962693552 APCPGULAHSQRKR-MJGOQNOKSA-N 417.349 4.621 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccc(N(C)C)c2)NCCc2c(Cl)cc(Cl)cc21 963118564 GBCLKDWPBFLTEJ-QFIPXVFZSA-N 421.368 4.792 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@H]4CC=C(C(=O)N1)[C@@H]32 2356431563 VQIAIGUFXCMWQU-SAGQFJKUSA-N 413.602 4.757 0 1 HJAF O=C(Cn1ccc2ccc(Cl)cc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 2356449197 DXKYBSAAJYNLCU-KXWAPTNCSA-N 423.988 4.716 0 1 HJAF O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1ccc2ccccc2c1 199359046 JDXQLBBLLFKNFK-JOCHJYFZSA-N 406.913 4.804 0 3 HJAF Cc1c(-c2ccc(O)cc2)n(CCCCNCc2ccccn2)c2ccc(O)cc12 13649981 COIKYNZBCPHFSC-UHFFFAOYSA-N 401.510 4.993 0 1 HJAF O=c1cc(N2CCOCC2)oc2ccc(-c3cccc(OCc4ccccc4)c3)cc12 13677063 HXICJVUCIYQBOX-UHFFFAOYSA-N 413.473 4.876 0 1 HJAF Clc1ccc(OCCc2ccccc2)c(CCN2CCN(c3ccccn3)CC2)c1 13795869 QNGUJVXVKSDPRH-UHFFFAOYSA-N 421.972 4.721 0 1 HJAF CCc1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccccc2)[nH]c1=O 40876412 LLRYVRPPJILMBM-UHFFFAOYSA-N 416.905 4.691 0 1 HJAF COCCNCc1nc(-c2ccc3c(Nc4ccc(F)c(O)c4)ccnc3c2)cs1 45196443 FAJUXKJVQUEXSP-UHFFFAOYSA-N 424.501 4.683 0 1 HJAF CCn1c(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n[nH]c1=S 45288971 VVYJHLQUXYEZRL-UHFFFAOYSA-N 420.361 4.690 0 1 HJAF C[C@@H]1CN(Cc2cccc(F)c2)CCN1c1ccc(NC(=O)c2cccs2)cc1 45303117 RBSFDBLRJBHMAQ-QGZVFWFLSA-N 409.530 4.850 0 1 HJAF CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@]12C 85641991 QHWXZKKFMSATQN-COYNGRQVSA-N 420.590 4.979 0 1 HJAF CN(C)Cc1cc(OCCC[18F])ccc1Sc1ccc(Br)cc1N 102174769 QLIVPGJLVJVMJT-LRFGSCOBSA-N 412.359 4.983 0 1 HJAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccc(CN3CCCC3)cc1)[C@H]2c1ccccc1 118617203 QRRXIQPVIZSLHQ-ILBGXUMGSA-N 422.532 4.818 0 1 HJAF c1ccc(-c2csc3[nH]nc(N4CCC(COCCN5CCCC5)CC4)c23)cc1 147532921 FXMWYRRLIAWZGL-UHFFFAOYSA-N 410.587 4.620 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c2c1CC[C@H](c1ccc(O)cc1)O2 215346746 DVZNBMDGJFHIAK-JOCHJYFZSA-N 420.461 4.694 0 1 HJAF COc1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1 253884013 RLOJIHUMKRBJCL-JGWHWLOXSA-N 421.581 4.971 0 1 HJAF NC(=O)c1cccc(-c2ccc3c(c2)OCCCN3c2ccc(C(F)(F)F)cc2)n1 473124744 WWOKWXXZMZIGBD-UHFFFAOYSA-N 413.399 4.787 0 1 HJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 586880939 DIUSIOFZAWYBRK-UHFFFAOYSA-N 405.679 4.907 0 1 HJAF O[C@H](c1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586997744 SZFVNEMMRRMNSQ-CYBMUJFWSA-N 421.600 4.959 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587040800 CCFWKMKSOLTRCL-ZDUSSCGKSA-N 423.325 4.551 0 1 HJAF CCc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170552 QEROEXRDKSDREO-UHFFFAOYSA-N 401.488 4.794 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(C)(C)C 587206975 ZIXLCQGMGBEIGF-CQSZACIVSA-N 401.429 4.943 0 1 HJAF CC(=O)NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC(C)CC1 587234778 VYAZHLZDDORNMX-UHFFFAOYSA-N 418.257 4.886 0 1 HJAF CCOC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353444 ZHNWPLOLWTXXIV-ZCYQVOJMSA-N 420.436 4.739 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OC(C)(C)C)cc1)CC2=O 587476731 ANZXWHQBNXDWIV-NRFANRHFSA-N 412.482 4.772 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)no1 587586301 KHNXDDCZLRPYAY-QPPBQGQZSA-N 415.401 4.662 0 1 HJAF COc1cc2c(cc1Cl)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587695231 IXLZVNMZQAFZJM-GIGQVBGESA-N 410.714 4.974 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)F)cc2)N1 587714066 GANOHXGAQNBTBA-MLCYQJTMSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(F)F)c2)N1 587718570 OBZNCTXFKKYRGK-MGNBDDOMSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2F)N1 587726458 IRTPMCDOGWPHFW-WLRWDXFRSA-N 409.274 4.506 0 1 HJAF CC(C)n1ncc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc21 587756459 DSXHRMPZMCSNJK-BBATYDOGSA-N 403.299 4.537 0 1 HJAF Cc1ccc2nc(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587776810 DUKGIBRUKZFWDC-JEOXALJRSA-N 401.279 4.774 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(C)ccc1C 587869799 RYOPZNVPLOTACS-UHFFFAOYSA-N 406.433 4.834 0 1 HJAF CCOC(=O)/C(=C/c1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)CC 653797842 NOZHROBWYGBJMB-FOWTUZBSSA-N 405.416 4.992 0 1 HJAF CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1 2356705922 JNZLFQBVNULBKB-JYIWJRGISA-N 416.558 4.772 0 1 HJAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CC[C@@H]2c2ccccc2)cc1 12355180 NUXNHYJNSHRNAN-KSFYIVLOSA-N 414.509 4.897 0 1 HJAF CS(=O)(=O)c1ccc(-c2[nH]c(C(=O)C(F)(F)F)cc2-c2ccc(F)cc2)cc1 13743569 XCIWKTKOFICMRQ-UHFFFAOYSA-N 411.376 4.636 0 1 HJAF C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@H]3C4=C(C[C@H]31)[C@@]1(C)CCC(=O)C[C@H]1CC4)[C@@]2(C)O 14445729 CQKMDXJUNODXFS-MRCKWKQBSA-N 411.630 4.980 0 1 HJAF biogenic COc1c(O)cc2c(c1CC=C(C)C)C(=O)c1c(cc(O)c(CC=C(C)C)c1O)C2 28870928 ZVFQDLCERPGZMO-UHFFFAOYSA-N 408.494 4.965 0 1 HJAF biogenic,in-vivo Cc1cc2c(cc1Cl)SC(C(=O)c1ccc3ccccc3c1)=NS2(=O)=O 33503572 NLLDMGKVWKNUSJ-UHFFFAOYSA-N 401.896 4.877 0 1 HJAF COc1cccc(C2(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)CCCCC2)c1 38147565 IQMREKCROCVQPB-DEOSSOPVSA-N 418.581 4.850 0 1 HJAF O=C(c1cc(-c2ccccc2F)[nH]n1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 71330306 CDGLHYPUOWFNMC-CYSDGLOUSA-N 419.500 4.508 0 1 HJAF COc1cc(Oc2ccnc3ccc(F)cc23)ccc1CC(=O)Nc1noc(C)c1C 84618660 JRWDTEMXRPOSNU-UHFFFAOYSA-N 421.428 4.961 0 1 HJAF CC1=C(c2ncnn2CC2CC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 101668720 IHQSHVTYJIOSQB-GOSISDBHSA-N 401.301 4.638 0 1 HJAF COC(=O)c1c[nH]c(-c2cc(Nc3cccc(NC(=O)c4occc4C)c3)ccn2)c1 116236112 ZVSMCBXMMPTXPB-UHFFFAOYSA-N 416.437 4.761 0 1 HJAF C[C@@]1(O)CC[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1 139163360 BRVHEKADILFBGL-SSOJOUAXSA-N 413.477 5.000 0 1 HJAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 168987388 CNRWQWXTVCUGCK-GRGXKFILSA-N 412.618 4.912 0 1 HJAF COc1ccc(Oc2cccc([C@@H]3NC(=S)N=C4c5ccccc5C(=O)[C@@H]43)c2)cc1 169726101 ZZEAHNXOTMHWFC-RTWAWAEBSA-N 414.486 4.719 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1 205549390 CWYIRWDUBBLVCT-UHFFFAOYSA-N 401.491 4.666 0 1 HJAF FC(F)(F)c1ccc2nc([C@@H]3[C@H]4Oc5ccc(Oc6ccncn6)cc5[C@H]43)[nH]c2c1 207814650 GBKYUTIMIIUUJY-FHWLQOOXSA-N 410.355 4.806 0 1 HJAF Brc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029191 KPCNSGCWZGGFCI-UHFFFAOYSA-N 410.300 4.847 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587041069 VHTOCPNFRFSNAD-HXUWFJFHSA-N 418.522 4.706 0 1 HJAF CCOC(=O)[C@H](c1cccnc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095767 AGGXIOKRKKKUIN-JOCHJYFZSA-N 408.457 4.845 0 1 HJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCCCc1ccccc1 587104670 UJRKNPRGAYRKRZ-UHFFFAOYSA-N 406.485 4.738 0 1 HJAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)no2)n1 587117916 HRSBRCGOHMODJF-UHFFFAOYSA-N 402.163 4.788 0 1 HJAF CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587394092 CLHWQKUOAIFKRJ-VWLOTQADSA-N 414.461 4.806 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(Cl)ccc(F)c1Cl)CC2=O 587466373 NINGOOSEQFCAFH-IBGZPJMESA-N 413.228 4.736 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C)C1)CC2=O 587478219 RVCJFPTWJNOMPO-NSYGIPOTSA-N 423.509 4.870 0 1 HJAF O=C(O)CCC[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501967 HJAZRAVXOYVILG-QHCPKHFHSA-N 400.421 4.959 0 1 HJAF Cc1cc(C)c(-n2cccn2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587579337 DJMNEBCIJSNMJR-BWKNWUBXSA-N 412.445 4.898 0 1 HJAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)cc1OC 587596374 OFRKWZYJTRAMNU-ZJSXRUAMSA-N 406.434 4.811 0 1 HJAF O=C(CSCc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658409 PLUMXFPQVIQIFU-UHFFFAOYSA-N 422.456 4.915 0 1 HJAF CC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587695510 KCWHBYCTUNULSU-NSPYISDASA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1 587712001 ZFHLKRWBJBFYNL-FVMDXXJSSA-N 404.201 4.634 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587719603 LJWNVMKKDWTBAQ-VVVCHXIZSA-N 414.221 4.707 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1 587763726 LQXUJMCWQSCNSA-KRYHZZBUSA-N 406.343 4.946 0 1 HJAF CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC 587802254 QRYBELLXGLSXOA-MPBGBICISA-N 408.311 4.928 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803413 ALJOAKWXFRHCQD-LHSJRXKWSA-N 420.322 4.709 0 1 HJAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876328 QYBCSNJSAVICIR-HNNXBMFYSA-N 413.449 4.472 0 1 HJAF CC(C)COc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br 587960493 CZDVMBZKCGETEY-UHFFFAOYSA-N 417.303 4.578 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587968186 LPYBGHHLSIGTAE-QINSGFPZSA-N 405.523 4.917 0 1 HJAF Cc1ccnc(C[C@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961746305 CRTKKWFQBCDEPA-RUZDIDTESA-N 407.558 4.999 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccccn1)c1cccnc1Cl 962368377 ANAVEAVSPNPGGM-QHCPKHFHSA-N 420.969 4.880 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1cc(Br)c(F)cc1F)N(C)[C@H](C)C2 962569013 MAHLIQZINFNPJK-GIGQVBGESA-N 412.274 4.710 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1cc(N3CCC[C@@H](C)C3)ccc1N)N(C)[C@H](C)C2 962571080 OPHJJLAHPWFHDD-KABRZNFWSA-N 423.601 4.662 0 1 HJAF CC[C@@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522550 FKYCSUOTHBORIB-AOJNWGRGSA-N 401.506 4.737 0 1 HJAF CC1(C)CCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc21 1772643190 GTBHCHNISMHJKA-UHFFFAOYSA-N 419.407 4.951 0 1 HJAF C[C@@H]1O[C@H](O)[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 2356787027 BELLAZXMZVYXDG-HZLIUJHASA-N 418.618 4.565 0 1 HJAF CC(C)=CCC[C@@H](C)C=CC=C(C)C1CCC(C(=O)NCCS(=O)(=O)O)CC1 2356821451 GAYAEIJZXLTJRP-KMFTYDHNSA-N 411.608 4.682 0 1 HJAF c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2cccnc2)nc1 12307578 WVNFNWLEDGDRRB-AREMUKBSSA-N 405.505 4.896 0 3 HJAF CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1 61924150 WTXZVSFIOSBAKZ-YYWHXJBOSA-N 405.325 4.816 0 3 HJAF COc1ccc2ccccc2c1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 199271294 MOABXVWJHWNZRK-UHFFFAOYSA-N 424.548 4.551 0 3 HJAF CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)c1ccccc1Cl)c1ccccc1-2 13735037 BMTSRFVZGZFBJR-UHFFFAOYSA-N 409.873 4.641 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCSc1ccc(C[C@H]2SC(=O)NC2=O)cc1 13887736 QOKFXIAPHZLSTL-LJQANCHMSA-N 424.547 4.879 0 1 HJAF N[C@@H](NC1CCC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CCC4)cc3)o2)cc1 19321365 PSIYSVRPSISUSW-WMPKNSHKSA-N 416.569 4.812 0 1 HJAF in-vitro O=C(CN1CCN(c2cccc(Cl)c2)CC1)N(c1ccccc1)c1ccccc1 73157321 XLPYKPNPLSBFDW-UHFFFAOYSA-N 405.929 4.827 0 1 HJAF CSCC[C@H](Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)NC(C)C 82197823 XXXRWOFVNUEIBG-AWEZNQCLSA-N 417.522 4.887 0 1 HJAF CC(C)C[C@H]1CN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](CC(C)C)C(=O)N1 103267074 ZVIVEJMQYICBEM-RJHNKFTKSA-N 410.480 4.506 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 137641500 AANKDJLVHZQCFG-CHKTXLTHSA-N 413.646 4.626 0 1 HJAF Cc1cc(-c2n[nH]c3c(Cl)c(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1 219744148 XMGGASPTRINPCS-CYBMUJFWSA-N 406.877 4.864 0 1 HJAF CSC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 219767966 VLPYGCRROQOROR-LJQANCHMSA-N 418.526 4.554 0 1 HJAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2-c2ccccc2)cc(-n2nc(C)nc2C)n1 223519463 HBKKDUISIABGIW-VQTJNVASSA-N 421.508 4.593 0 1 HJAF Clc1ncc(I)c2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886708 GPSVDNRHAVJSAQ-APPDUMDISA-N 421.669 4.587 0 1 HJAF Fc1cccc2c(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)n[nH]c12 587176457 LAPGHNFKIDIPFE-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncco2)[C@H]1c1ccc(F)cc1 587332420 ADCIQNKENLFNCE-XUZZJYLKSA-N 401.393 4.822 0 1 HJAF CCOC(=O)C[C@]1([C@H](C)CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349035 OXLJCTRGNFZIMI-ZQQNNKCXSA-N 400.446 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1cccnc1)[C@@H](C2)C3=O 587417940 FUTXHNGKFRNNKZ-MBSDFSHPSA-N 407.853 4.811 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3ncccn13)CC2=O 587472905 WQOCZVVQVQBIQG-FQEVSTJZSA-N 417.440 4.900 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587479512 UELKDQAVONBEFQ-CMJOXMDJSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCCCC(=O)O)(c1ccc(OC)cc1)CC2=O 587481235 QFJUQJOJKRDZBN-XMMPIXPASA-N 412.482 4.859 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)c(F)c2)N1 587724451 IBWAEHYIVVCVCN-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF COCCC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587729533 HGZAPMPWBXZTMK-XCLFUZPHSA-N 410.302 4.932 0 1 HJAF CCC[C@@H](CC1(c2nc3c(N)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782353 SSQLURHUXIDBRD-SFHVURJKSA-N 406.530 4.902 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2cccs2)N1 587846540 IBTPHRUUROXVOJ-BBATYDOGSA-N 412.324 4.682 0 1 HJAF COc1c(C=O)cc(C)cc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962636799 JDYFKBFBNQXDMF-ZEQKJWHPSA-N 412.533 4.652 0 1 HJAF Cc1c(Br)cncc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962691637 AEYZQTJQJAFJGF-YJYMSZOUSA-N 407.352 4.745 0 1 HJAF Cn1nc(C(F)(F)F)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1Cl 962692365 BCCOBCIMITYYFQ-MEBBXXQBSA-N 419.875 4.684 0 1 HJAF CCc1ccccc1[C@@]1(c2cc(F)cc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962919705 KUPVEKVOOFSPTQ-XUZZJYLKSA-N 411.423 4.557 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1/C=C/C(C)(C)C 1772585164 DXVFLJBDMVFCLI-OUKQBFOZSA-N 400.523 4.608 0 1 HJAF CSc1ccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)cc1 1857608952 IAJNQIZLIJIVSK-UHFFFAOYSA-N 400.507 4.677 0 1 HJAF COc1ccc(-c2nnc(-c3sc4ncnc(N5CCCCC5)c4c3C)o2)cc1 1857758475 FNCJQGZDDWKSJR-UHFFFAOYSA-N 407.499 4.716 0 1 HJAF O=C(C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1)Nc1ccccc1 15937334 MNVDOOHKZNTVCQ-UKILVPOCSA-N 412.533 4.575 0 3 HJAF CCOC(=O)Nc1ccc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc1F 13672879 KLYSAEOJLKAVDM-UHFFFAOYSA-N 417.550 4.856 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26388676 XQSKEOBPPYRPOT-ICOFERFYSA-N 414.634 4.887 0 1 HJAF COc1ccc(N2C(=O)[C@H](CC[C@@H](O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 28088314 BAONTUOMPWRXJL-WXFUMESZSA-N 403.478 4.619 0 1 HJAF CC(C)(C(=O)O)c1ccc(C(=O)Nc2cn3cc(-c4ccsc4)ccc3n2)cc1 43193840 UYPYPLRWAZMPFC-UHFFFAOYSA-N 405.479 4.677 0 1 HJAF CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12 49793541 RETUSTLIJKZUGV-UHFFFAOYSA-N 414.469 4.667 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2C[C@H]1CCCO1)c1ccccc1 82187659 JNHNUSZNNWVMLW-GHTZIAJQSA-N 413.525 4.888 0 1 HJAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccc(C)n1 104689709 TTXPJCBYIUOSAC-QFIPXVFZSA-N 403.482 4.846 0 1 HJAF O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc2cc3n(c2c1)CCCNC3=O 147707246 SCRBOESBZAWRKA-UHFFFAOYSA-N 411.461 4.819 0 1 HJAF Cc1ccc(C(C)(C)C)c(S[C@@H]2C(=O)C[C@H](CCc3ccc(O)cc3)OC2=O)c1 169684797 OECDNPOMGNJUPW-PGRDOPGGSA-N 412.551 4.976 0 1 HJAF CC(C)CCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586970037 SNRJDDBWAMKFHA-UHFFFAOYSA-N 422.348 4.676 0 1 HJAF COc1nc(N2CCCC2)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988430 RHHPORADUMECAW-UHFFFAOYSA-N 423.472 4.823 0 1 HJAF O=S(=O)(Nc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1Cl)c1ccc(F)cc1 587170376 APLPXXINSOKNMC-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587226599 RULCSOGLOPIDGU-AWEZNQCLSA-N 409.328 4.785 0 1 HJAF Cn1cc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc2n1 587341984 LASVHBBIGHHZRO-LADGPHEKSA-N 402.425 4.692 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1c[nH]c3ccccc13)CC2=O 587484405 OTSGQQCXZLDWKZ-DEOSSOPVSA-N 407.466 4.640 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC[C@H]2C1)CC(=O)c1ccc2c(c1O3)CCCC2 587518703 NQKDGQVUTAEQQT-YYULODDRSA-N 411.542 4.936 0 1 HJAF C[C@@]1(CC(=O)NC2CCCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581961 YBEJRQZBCPAZGG-RDGATRHJSA-N 423.509 4.732 0 1 HJAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)nc1 587588257 QICWBICFIMTJPV-OZXSUGGESA-N 423.424 4.970 0 1 HJAF CC(C)(C)c1ccc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600489 BFGKOXVBNVIJNE-CJFMBICVSA-N 418.445 4.631 0 1 HJAF Cc1cc(-n2cccn2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756713 FCVQBKAZXOKRNV-ZUOKHONESA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2cccn2)N1 587760768 QNNRSPUHUWILCK-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF Cc1ccc2nc(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587780171 YZMKKCHBJXZWDY-WLRWDXFRSA-N 401.279 4.774 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@@H]2CCCNC2)N1 587789134 ADDWVTRJCKGIEU-LDJQZATESA-N 417.366 4.560 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccccc2C(=O)O)N1 587849122 ZXKVNMSMSDPFFB-WLRWDXFRSA-N 424.335 4.828 0 1 HJAF C/C(=C/[C@]1(c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587851121 AIQLXHLMRZVEEY-MWYUGXRYSA-N 409.368 4.893 0 1 HJAF C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)NC1(CC1)Cc1ccc(Br)cc12 961615599 QERWKIQPPZFELX-SZNDQCEHSA-N 421.379 4.742 0 1 HJAF CSc1cccc([C@]2(c3ccc(F)c(F)c3)NCCc3c2c(C(C)C)nn3C)c1 962915296 HHDCIIHNKXCAJC-HSZRJFAPSA-N 413.537 4.981 0 1 HJAF CN1C(=O)C[C@H]2CN[C@]3(CCc4ccc(OCc5ccccc5)cc4C3)c3cccc1c32 963022689 HIQZCETYWYIZIA-DWACAAAGSA-N 424.544 4.703 0 1 HJAF COc1ccc2ccc(OC)c([C@H]3NCCc4cnc5c(OC)cccc5c43)c2c1 963028031 BIACSJSEZBCHRN-VWLOTQADSA-N 400.478 4.649 0 1 HJAF Cc1cc(Br)c2ncc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)n2c1 963110087 QKHHOIWFDPMLOX-KXBFYZLASA-N 400.295 4.654 0 1 HJAF Cc1c(O)ccc2c1[C@@H](c1ccc3c(c1)Sc1ccccc1N3C)N[C@H](C(=O)O)C2 963473812 TYIBICGWZKSBKL-QMHKHESXSA-N 418.518 4.621 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(Cl)nc1)c1cccc(C)c1 963587870 XZLDHSWHGRJIIE-VOIUYBSRSA-N 408.929 4.887 0 1 HJAF COc1ccccc1OCc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)o1 963630099 BMTRBCFIVDKCBG-IZHWHUGBSA-N 409.482 4.508 0 1 HJAF Cc1cc(C(=O)N[C@H](Cn2ccnc2)C(=O)c2ccccc2)ccc1-c1ccccc1 1857549436 FMAQORMZVYWJSO-XMMPIXPASA-N 409.489 4.540 0 1 HJAF Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)[C@H](Cn3ccnc3)C2)cc1 1857586979 ZGTGKCZMGMVINR-QFIPXVFZSA-N 415.368 4.577 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@H]([C@@H]4COC(=O)C4)[C@@]3(C)CC[C@H]21 2356506886 LZEIPUNOEUQFEG-ZFGPFADOSA-N 414.586 4.695 0 1 HJAF CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356563124 QQEHDZXXCDSAFE-VJOPKWPDSA-N 406.950 4.544 0 1 HJAF C[C@@H]1C2=CC3=CC[C@H](N(C)C)C(C)(C)[C@@H]3CC[C@H]2C[C@@]2(C)C[C@@H](O)[C@@H]([C@H](C)N)[C@H]12 2356568828 PITOHOVPTPHLBW-YKYKYQAFSA-N 400.651 4.616 0 1 HJAF CCN(CC)CCCNc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cn1 3407740 UYLNSTPDYDTTCZ-UHFFFAOYSA-N 423.561 4.977 0 3 HJAF COc1cc(-c2noc(C)c2/C=C/c2ccc(OC(C)=O)cc2)cc(OC)c1OC 12474385 NPYTVLMVRYJVQZ-DHZHZOJOSA-N 409.438 4.772 0 3 HJAF O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCCN2C(=O)c2ccccc2)on1 61904597 CKTVYBZLZBSSBI-LJQANCHMSA-N 409.873 4.948 0 3 HJAF O=c1c2cc(Br)ccc2nc(CNc2ccccc2)n1-c1ccccc1 1626367 LZSGIDMGRSKIQU-UHFFFAOYSA-N 406.283 4.760 0 1 HJAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccccc2C)c1 3962999 YMYGZSZLCBRHOE-UHFFFAOYSA-N 402.566 4.562 0 1 HJAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC3)sc2c1 13534046 DMIVJAMGJIKWII-UHFFFAOYSA-N 400.891 4.794 0 1 HJAF O=C(Nc1ccncc1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605259 GZSUOALBVQZWOL-SSEXGKCCSA-N 413.502 4.626 0 1 HJAF CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1 34479386 UXIVLMXEVWDSPG-MRXNPFEDSA-N 423.160 4.585 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 34801185 XZGUOAXOYPYCGD-IVMCVYAESA-N 400.607 4.645 0 1 HJAF O=c1ccc2c(-c3ccc(F)cc3F)[n+]([O-])ccc2n1-c1c(Cl)cccc1Cl 36988457 FCJMQXODPHVAOG-UHFFFAOYSA-N 419.214 4.876 0 1 HJAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cc(CN4CCCCC4)ccc3CC[C@@H]21 45372085 PSRASBIMNWAVNL-UKILVPOCSA-N 410.989 4.966 0 1 HJAF COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)O1 73197660 YZLCDNYSBSWVBY-HSZRJFAPSA-N 403.522 4.786 0 1 HJAF O=C(NCc1ccccc1Cl)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133433 OBLCLEXWLVCTLL-UHFFFAOYSA-N 406.917 4.717 0 1 HJAF Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1nc2ccccc2s1 82177492 KJLZNNZVBHWATB-UHFFFAOYSA-N 402.523 4.690 0 1 HJAF Cc1c(OCCCCCN2CCN(C)CC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271266 APTXIDCPFDQWLD-UHFFFAOYSA-N 420.553 4.565 0 1 HJAF COc1cc(OC)c2c(c1)N(CCCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)C(=O)C2 169326594 ICEAAGIUOCOFBM-LLJLJFOGSA-N 417.546 4.618 0 1 HJAF COc1ccc(Nc2ncc3c(n2)-c2c(nn(-c4ccccn4)c2C(C)C)CC3)cc1 169702229 SRJBTULCUVFPFI-UHFFFAOYSA-N 412.497 4.699 0 1 HJAF CC(C)Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2cc(C(=O)O)nn2c1O 253679857 YHSCIYJEPIBGPT-UHFFFAOYSA-N 417.465 4.578 0 1 HJAF Clc1ccccc1OCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)o1 587064291 ILARNKJSZQBLBH-UHFFFAOYSA-N 405.639 4.559 0 1 HJAF Cc1cc(C)c2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 587106474 CZHYYAUDKZSGCO-INIZCTEOSA-N 423.460 4.724 0 1 HJAF COc1c(F)ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1N 587134909 QZPWPQADIKWAPN-UHFFFAOYSA-N 408.271 4.757 0 1 HJAF CN(C)CCOc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151294 WTRDXEQXHAMNQY-QHCPKHFHSA-N 404.489 4.844 0 1 HJAF Fc1ccc(/C=C(/c2nc3nc(Br)c[nH]c-3n2)c2cccs2)cc1 587163511 KLPZHGLRQNWJHP-XYOKQWHBSA-N 401.264 4.857 0 1 HJAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(OCCC)cc3[nH]2)cc1 587244329 ORMRZZGVODVIED-UHFFFAOYSA-N 400.276 4.906 0 1 HJAF NC1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 587256693 NJWWLUMOAVBEFC-UHFFFAOYSA-N 400.320 4.889 0 1 HJAF CCn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587326389 BMBYACJZHYZGPF-UGKGYDQZSA-N 416.399 4.576 0 1 HJAF C[C@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370444 BJNFAHHDUTVQPL-NFBKMPQASA-N 420.465 4.998 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O 587426123 LKOSSVFTPSMQOF-FDDCHVKYSA-N 404.393 4.688 0 1 HJAF Cc1cc(C)n(C[C@@]2(c3cccc(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515047 IRAFYGZNFWFCRT-RUZDIDTESA-N 401.510 4.522 0 1 HJAF CCn1nc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587583747 XITDICUGYJHAKC-GGAORHGYSA-N 414.461 4.725 0 1 HJAF O=C(Cc1cccc(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587653132 DHRONJZEHPNLPT-UHFFFAOYSA-N 410.807 4.878 0 1 HJAF O=C(c1cccc2cc[nH]c12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658039 ITKSKBVYZQISHD-UHFFFAOYSA-N 401.372 4.512 0 1 HJAF CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812346 YMZGSWLLWFSTHL-FKIZINRSSA-N 422.294 4.921 0 1 HJAF COc1ccc2c(c1)OCC([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 587835595 QJQXOEAYMHLDOW-BIBXISHDSA-N 404.279 4.648 0 1 HJAF O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587961668 NBPYBOCHSBCDDU-UHFFFAOYSA-N 402.294 4.818 0 1 HJAF O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@]2(C1)c1c(F)cccc1C[C@H]1CCCN12 963093568 AIHRPSPFNFIFAD-LJKQEARRSA-N 418.512 4.670 0 1 HJAF Cc1cc2c(cc1O)[C@@](Cc1ccccc1Cl)(c1ccsc1)N[C@H](C(=O)O)C2 963469928 LVICHBKNZNYXJH-SIKLNZKXSA-N 413.926 4.501 0 1 HJAF O=C(Cc1ccc(Cl)cc1)n1nc(OCCCN2CCCCC2)c2ccccc21 1857599629 YAXVHOJMVWQVRY-UHFFFAOYSA-N 411.933 4.827 0 1 HJAF OCC1(CCOc2ccccc2)CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 11817461 VWDKYMHHRGVWMZ-UHFFFAOYSA-N 413.945 4.659 0 3 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccnc1 1490385 QZUUGCMQYFEGBJ-UHFFFAOYSA-N 400.282 4.557 0 1 HJAF Cc1cc(=O)n(Cc2cccc(Br)c2)c2c1c(C)nn2-c1ccccc1 8605792 KAFMUBLWDXLCNT-UHFFFAOYSA-N 408.299 4.615 0 1 HJAF NC(=O)N(O)Cc1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 13604011 NJCVJZXHIYTWEH-UHFFFAOYSA-N 423.416 4.678 0 1 HJAF COc1cccc(OC)c1OCCNCC1=Cc2ccccc2O[C@H]1c1ccccc1 13799496 IFVRVNMRXMDJCL-VWLOTQADSA-N 417.505 4.890 0 1 HJAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(N)=O)CC1 20806871 VKPLGASLWOZHOP-IRXDYDNUSA-N 414.590 4.828 0 1 HJAF COc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 29481718 XKLUPOZWQBEAAO-ZRDIBKRKSA-N 407.832 4.752 0 1 HJAF Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(NCCCCN3CCCC3)nc12 38215984 PFAJPANEBVTDTK-UHFFFAOYSA-N 411.937 4.647 0 1 HJAF Cc1nnc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)o1 40421935 PZBREWORDFEWJT-UHFFFAOYSA-N 400.438 4.645 0 1 HJAF CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3Cc3ccc4ccccc4c3)nc2C1 40917480 VEYMNDZFLDNZST-IBGZPJMESA-N 406.551 4.899 0 1 HJAF Brc1ccc(CN2CCC([C@@]3(c4ccccc4)CCCNC3)CC2)cc1 40974348 LXBCMPSAFKDSSA-QHCPKHFHSA-N 413.403 4.983 0 1 HJAF O=C(OCc1ccccc1)[C@@H]1COC(c2cccc(Cl)c2OCc2ccccc2)=N1 49055321 ZYURTLADHYQKRF-NRFANRHFSA-N 421.880 4.808 0 1 HJAF CC(=O)c1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)SCCC3)cc1 103259152 TZOVCNRMQCAGPW-UHFFFAOYSA-N 419.506 4.755 0 1 HJAF O=C(O)CCCCOc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144829629 NGDUTYCUMBDTPN-GOSISDBHSA-N 400.780 4.752 0 1 HJAF CCN(CC)CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O 169718819 HYPMRYSGDCDTHI-UHFFFAOYSA-N 420.340 4.525 0 1 HJAF CCOc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729856 VJHNXBIMUUPOLB-SFTDATJTSA-N 414.889 4.748 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 195151916 WFKXCGWVYJNIRE-QTTIAGNDSA-N 404.547 4.580 0 1 HJAF O=Cc1ccc(OCc2occc2-c2nc3c(F)cnc(Br)c3[nH]2)cc1 586900508 KSVMEULEQFTSBJ-UHFFFAOYSA-N 416.206 4.511 0 1 HJAF CC(C)(C)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2n1 586960914 QXENSQWQUPBESI-VWLOTQADSA-N 420.376 4.758 0 1 HJAF O=C(CSCc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114759 YKRMVSROAKTYRY-UHFFFAOYSA-N 401.360 4.732 0 1 HJAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587194290 PIRZTKTYSWBGES-LBPRGKRZSA-N 420.863 4.753 0 1 HJAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC 587376508 JANQDMBBNYZYAN-KRWDZBQOSA-N 420.303 4.844 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4F)c(OC)c1)[C@@H](C2)C3=O 587425243 AROVXJKWHJWFDA-AVRWGWEMSA-N 420.436 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1)CC2=O 587482277 DPCKQWWICGOQML-RUZDIDTESA-N 422.477 4.871 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)N(CC)CC)(c1c[nH]c3ccccc13)CC2=O 587482396 ITCRCEXKXZARKX-VWLOTQADSA-N 420.509 4.555 0 1 HJAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)cc(Cl)c21 587496898 CFRYFKGHIFLPOX-OAQYLSRUSA-N 402.277 4.709 0 1 HJAF Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587514226 WDRRCXLHPBAIPX-LADGPHEKSA-N 406.482 4.680 0 1 HJAF C[C@@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547075 LDUYTMSWJJRMTN-RXVVDRJESA-N 415.367 4.870 0 1 HJAF O=C([C@H]1C[C@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656835 QZUAABPIYLAJGQ-WMZOPIPTSA-N 402.400 4.786 0 1 HJAF CC(=O)n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587755577 HVHFMPFTRUBFJR-YBTHPKLGSA-N 401.279 4.827 0 1 HJAF Cc1ccccc1-n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762933 HIPVLXMWUUGLCQ-QKKBWIMNSA-N 414.322 4.880 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(C)c(C)c1 587869798 RYEQSNDRYFVDSA-UHFFFAOYSA-N 406.433 4.834 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 587870562 CXEKLGPPPFUCRP-GFCCVEGCSA-N 424.398 4.588 0 1 HJAF COC(=O)Cc1ccc2c(C(=O)c3ccccc3)cc(C(=O)c3ccccc3)c-2cc1 1857655873 RXKKMYCWSNAWKH-UHFFFAOYSA-N 408.453 4.969 0 1 HJAF O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1 1341717 LQZGYLHPCGOTHJ-JOCHJYFZSA-N 421.472 4.651 0 3 HJAF CC(C)(C)NC(=O)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O 5885578 DVNYRUINGXRVIL-UHFFFAOYSA-N 409.507 4.833 0 1 HJAF O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc21 11536230 CDWSQWCRQNBXLX-UHFFFAOYSA-N 410.804 4.997 0 1 HJAF N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)[C@@H](C3CCCC3)NCC4)ccc2c1 13532840 KORAEYDOYHOKIN-XMMPIXPASA-N 412.537 4.753 0 1 HJAF CNc1nccc(-c2ccc(NC(=O)NCc3ccc(Cl)cc3Cl)s2)n1 36144142 BPVVIEDOOWXNGJ-UHFFFAOYSA-N 408.314 4.875 0 1 HJAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc(Br)cc1 40379108 ARUYDBNEDCSFGO-UHFFFAOYSA-N 409.243 4.625 0 1 HJAF Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccnc3ccccc23)n1 53297338 IUVMPDOULNAJGL-UHFFFAOYSA-N 419.488 4.616 0 1 HJAF CN(C)CCCOc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 62260296 MZIQJPGLZXVJCP-UHFFFAOYSA-N 423.520 4.942 0 1 HJAF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2cccc(Cl)c2)S3)c1 73294969 PIDHFEIFTFTUAM-OAHLLOKOSA-N 423.723 4.718 0 1 HJAF CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 84713198 LGEBWLKMKODIDE-QHCPKHFHSA-N 404.510 4.832 0 1 HJAF CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 85943429 JDIQSGWDOULBFU-BFHYXJOUSA-N 402.487 4.623 0 1 HJAF COc1ccc(-c2c(-c3cc(C(C)C)c(O)cc3O)noc2NC(=O)C2CC2)cc1 98208891 AVNWJTBEPNSVIJ-UHFFFAOYSA-N 408.454 4.900 0 1 HJAF in-vitro Cc1ccccc1Oc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143162118 MASHRDPYQKFCAR-UHFFFAOYSA-N 404.344 4.627 0 1 HJAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CC[C@@H]2C1 153525575 TYLAMIKBOCFWSP-UPMLCCBHSA-N 418.574 4.852 0 1 HJAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219951177 XIVYAVYHUZLGIV-AIDNLNPPSA-N 416.599 4.794 0 1 HJAF in-vitro Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cnc(Br)cc2[nH]1 587077034 PNUJRLDKNWRJKR-UHFFFAOYSA-N 401.651 4.808 0 1 HJAF Nc1cc2c(cc1Cl)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327826 HRXZKAZSGTYJEP-GGAORHGYSA-N 409.844 4.968 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccnc1 587569616 INUCEMHNJDXTRQ-WIOPSUGQSA-N 413.404 4.832 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccccc1)C2 587581930 XWXXWCWMWAHCKP-DHLKQENFSA-N 414.461 4.777 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 587585176 COCCOGXADYDZOF-RDGATRHJSA-N 417.461 4.704 0 1 HJAF CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587694766 ACOAWQMMRICWEG-NSPYISDASA-N 410.714 4.999 0 1 HJAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587694847 MNHZPUHUJZGNRY-HUTHGQBESA-N 412.686 4.652 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(F)F)c2)N1 587721123 VXLMEBYAIRTDAC-MLCYQJTMSA-N 400.238 4.856 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587743144 VXLSZVKKCCQNCN-LLMYDLJTSA-N 419.338 4.775 0 1 HJAF COC(=O)c1cc(Cl)c2nc(-c3ccc(C(=O)c4cccc(OC)c4)cc3)[nH]c2c1 587931367 IBIBPZMIFUGWNA-UHFFFAOYSA-N 420.852 4.910 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2sc(C)nc2C(=O)O)N1 962949224 KYSKAHQLFMZGRN-GYCJOSAFSA-N 417.534 4.847 0 1 HJAF CCOC(=O)[C@H](C)Oc1cc(Cl)c([C@@H]2NCCc3c2sc(C)c3C)cc1OC 963021502 JNJODNROKQQDAW-BUXKBTBVSA-N 423.962 4.592 0 1 HJAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](CC2CCCC2)N1C(=O)c1ccccc1 963416022 MLBXGSUMZOITMM-VXKWHMMOSA-N 402.494 4.941 0 1 HJAF C[C@@H](NC(=O)c1ccc(-c2cc(C3CCOCC3)cnc2N)cc1)c1ccccc1 1772570552 QHJBDFBYAQICFN-QGZVFWFLSA-N 401.510 4.716 0 1 HJAF Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 1772606347 ZOJFYSUJXCZHEL-UHFFFAOYSA-N 421.928 4.808 0 1 HJAF CNCCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1 1772651679 GZDDTFRSKUIMSW-QPLCGJKRSA-N 403.522 4.722 0 1 HJAF COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4)cc3)c12 1857561397 NGGFLMVVUBLEHT-UHFFFAOYSA-N 421.399 4.702 0 1 HJAF COc1cc(CC[C@@H](C[C@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)ccc1O 2356654828 LTROEBZFOSNZKT-GMAHTHKFSA-N 420.546 4.947 0 1 HJAF COc1cc(CNc2nc3cc(C(F)(F)F)ccc3nc2C)cc(OC)c1OC 1646707 RDDVYYTYENBKFJ-UHFFFAOYSA-N 407.392 4.595 0 1 HJAF CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)c1 2022691 GWJDCGLHTDEKGT-UXHICEINSA-N 418.505 4.705 0 1 HJAF in-vitro CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215806 MGAOUKFKTFGKOJ-KEIZBESESA-N 418.578 4.622 0 1 HJAF CN(CCOc1ccc(C[C@H](C(=O)O)c2ccccc2)cc1)c1nc2ccccc2o1 26188839 QFKADBAIEKWLFI-NRFANRHFSA-N 416.477 4.754 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 29461919 KFZWDYQMBIYWFQ-GUCZTKFNSA-N 402.623 4.769 0 1 HJAF NC(=S)Nc1cccc(OCCCCCNC(=S)Nc2ccc(Cl)cc2)c1 45254301 GQEBKPXFUAEKSE-UHFFFAOYSA-N 423.007 4.531 0 1 HJAF O=C(c1c(Oc2cccc(F)c2)n(-c2ccccc2)c2ccccc12)N1CCNCC1 64503995 VCQIDXKDIBCRAR-UHFFFAOYSA-N 415.468 4.607 0 1 HJAF Cn1cc(-c2cc(Oc3ccc4nc(N[C@@H]5CCCC[C@H]5O)sc4c3)ccn2)cn1 68199744 FCCUUXVXNBHGAZ-YLJYHZDGSA-N 421.526 4.600 0 1 HJAF O=C(NC1CCCC1)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72139700 DVHTUGSTAZQUMT-DEOSSOPVSA-N 406.913 4.692 0 1 HJAF COc1cc2nc(N3CCc4ccccc4C3)nc(NC3CCCCC3)c2cc1OC 82119656 RXGUIRFMCRXNCN-UHFFFAOYSA-N 418.541 4.954 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2cc(-c3ccccc3)nc2C1 95565096 HSTKUHCXOIOGLP-UHFFFAOYSA-N 405.807 4.878 0 1 HJAF CC(C)(C)[C@H]1C=C(C(=O)N2CCCCCCC2)O[C@@H](OCc2ccc(CO)cc2)C1 95798296 IJBKOKSSRAKBQN-JTHBVZDNSA-N 415.574 4.781 0 1 HJAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)nc2)cs1 118601859 CMFXZVMCJZPDBH-GOSISDBHSA-N 413.930 4.991 0 1 HJAF COCCCN1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CC[C@H](C(C)(C)C)C[C@H]12 195503216 AGCUNNGZFILFIJ-XPTGIAEWSA-N 422.569 4.833 0 1 HJAF COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1Oc1c(O)cc(C)cc1COC2=O 238740517 ZWMPRHFPFSCMAO-IBGZPJMESA-N 414.454 4.822 0 1 HJAF Clc1ncc(I)c2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886728 GPSVDNRHAVJSAQ-PIGZYNQJSA-N 421.669 4.587 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncc(Cl)c3[nH]1)N2 587030417 DRVWLJGLZHJZFX-TZZQWBKVSA-N 405.936 4.738 0 1 HJAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccnc(O)c5[nH]4)c23)cc1 587038679 QDNPAFYFEJESCV-UHFFFAOYSA-N 405.508 4.936 0 1 HJAF Cc1c(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1C 587040963 KSQDZHMQXXEJHI-DLBZAZTESA-N 402.361 4.889 0 1 HJAF CN(C)CCOc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587041254 MAJBCJLMPCUAGB-UHFFFAOYSA-N 415.584 4.561 0 1 HJAF FC(F)(F)c1ccc2ncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2c1 587113239 UJODWUAKDHOXSY-UHFFFAOYSA-N 412.415 4.629 0 1 HJAF Fc1ccc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1 587150277 RKZXSRDVYHWFJA-DUXPYHPUSA-N 417.584 4.665 0 1 HJAF C=CC(=O)Nc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 587243601 FWIICPYPMMXBCP-UHFFFAOYSA-N 421.092 4.879 0 1 HJAF CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587346235 IIEZLQRQFVUENV-RDGATRHJSA-N 417.436 4.861 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(OC)c1OC)CC2=O 587457836 NYHTYXMTRSENCU-KRWDZBQOSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c(C)cc(=O)oc3c1)CC2=O 587494506 YOYBCHKFFLZNJJ-XMMPIXPASA-N 408.450 4.562 0 1 HJAF Nc1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575513 CNLGUMQFZWELJX-ZEQKJWHPSA-N 409.441 4.880 0 1 HJAF Cc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587589201 WGHTYRPXUYRIDA-XUZZJYLKSA-N 410.429 4.861 0 1 HJAF CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622190 CPEWEZUYNRAXLN-UHFFFAOYSA-N 416.250 4.713 0 1 HJAF CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587789370 CZAFENWHDOGWTO-CFMSYZGJSA-N 423.326 4.508 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798935 QFDAOWFMHGOESX-QKKBWIMNSA-N 420.322 4.546 0 1 HJAF CC[C@H](C)Sc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587839501 HJUAYLGOEUVJQT-VGTOOOLASA-N 410.356 4.892 0 1 HJAF CC[C@H](C)[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCCC(=O)OC)C1=O 1772587340 APYNWUBVOPKCLL-MBSDFSHPSA-N 406.526 4.629 0 1 HJAF COc1cc2c(c(OC)c1O)[C@H]1O[C@@H](c3cc(OC)c(OC)c(OC)c3-2)[C@H](C)[C@@H]1C 2356408530 IHMGYSIQQKTHJB-URSLPWQFSA-N 416.470 4.500 0 1 HJAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)C=C[C@@]45C[C@]35CC[C@]12C 2356730951 RFIGBNKPBPAHJJ-SPTGXSKESA-N 414.678 4.710 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccc(F)cc2)C1 199407806 YXBFZFUVJJKXNZ-NQIIRXRSSA-N 420.450 4.971 0 3 HJAF O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 6782613 DNKHHJJYNQTGOM-SFHVURJKSA-N 418.928 4.674 0 1 HJAF Cc1cc(C(=O)N2CCc3c(n(Cc4ccc(O)cc4)c4ccccc34)C2)ccc1O 14946253 SPODNTXMIFLQLS-UHFFFAOYSA-N 412.489 4.608 0 1 HJAF CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccc(C)cc1 29311937 RWKYJDUJSPOUQG-RSLVDXKVSA-N 408.567 4.554 0 1 HJAF CCn1c([C@@H](O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 40763345 DJKOHZCHHOORHA-INIZCTEOSA-N 416.815 4.652 0 1 HJAF CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)CC1 82230038 HYHYWPLNOFVMDI-QZTJIDSGSA-N 410.537 4.637 0 1 HJAF CC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144914016 WRKTXTKEFQPNID-QFIPXVFZSA-N 416.443 4.520 0 1 HJAF C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cc2ccccn2n1 149804091 JIPVIQLALIVIQU-MRXNPFEDSA-N 417.440 4.575 0 1 HJAF O=C1CCc2cc(C(=O)NC[C@H]3CC[C@@H](CCOc4ccccc4)CC3)ccc2N1 253666699 PZHCZIJJMYWSBK-KDURUIRLSA-N 406.526 4.577 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4cc(F)ccc4[nH]3)cc2cc1Br 586998866 QRXPWABSMTXRIY-UHFFFAOYSA-N 403.207 4.637 0 1 HJAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(I)c3[nH]2)cs1 587021933 TYTPZSGABRJSFU-UHFFFAOYSA-N 406.252 4.595 0 1 HJAF OCc1ccc(F)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587140893 USEOZIBFNPFJLH-UHFFFAOYSA-N 405.145 4.522 0 1 HJAF O=c1c(-c2nc3cccc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171691 RBCIGMZWQREICU-UHFFFAOYSA-N 416.225 4.920 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)cc(Cl)cc2[nH]1 587180168 DJZOERHJPZXNLR-SECBINFHSA-N 414.678 4.964 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 587222792 ZZCGARCFUUQFEF-IBGZPJMESA-N 409.486 4.652 0 1 HJAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587249397 AAQNSUQFXDVXQE-UHFFFAOYSA-N 400.463 4.711 0 1 HJAF COc1cc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587350140 JZQXLGDNHDZOLX-ILBGXUMGSA-N 422.452 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587474631 IYJWUJNGBUTBFI-HSZRJFAPSA-N 403.519 4.716 0 1 HJAF O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587505175 YULMOUQSLRLMBF-AGKZXYDUSA-N 422.864 4.997 0 1 HJAF COc1ccc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587552561 AMQUXNTZVMLTSD-GHTZIAJQSA-N 414.360 4.705 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2Br)N1 587679450 QSDBCFBCEQSIEP-ZKANADHPSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(F)c(F)c2F)N1 587718116 HXOZERQKITXWDD-BWKAKNAASA-N 406.192 4.942 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N[C@H](C)c2ccccc2)N1 587758006 WDLLTAGBZZBNKX-ZMOMAAQPSA-N 419.338 4.605 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCN(Cc3ccccc3)C2)N1 587758666 CUSNIIVXMFAMHZ-QRFQSNJMSA-N 417.366 4.860 0 1 HJAF COCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587797501 VRDGBZJAECTUJE-RNODOKPDSA-N 408.311 4.627 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824105 UFCMIZYSVWGKRN-PTPDTQQLSA-N 402.307 4.517 0 1 HJAF CC[C@H](C)Sc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587839498 HJUAYLGOEUVJQT-DINDLPBHSA-N 410.356 4.892 0 1 HJAF CSc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587846722 RAQVVULVILUIBK-DGIBIBHMSA-N 424.335 4.705 0 1 HJAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](C)(CCC1CC1)N2C(=O)OC(C)(C)C 962707993 MBSQJDXKLXBKJL-BJKOFHAPSA-N 417.521 4.882 0 1 HJAF Cn1cc([C@]2(c3c(F)cccc3F)c3c(F)cccc3C[C@@H]3CCCN32)cc1C=O 963095995 DQGJKGCJZXLSRM-BXKMTCNYSA-N 410.439 4.567 0 1 HJAF CC(=O)N1CCC(c2cc(C)c3nc(C)[nH]c(=N[C@H](C)c4cccc(C)c4)c3c2)CC1 1857559800 JPKQZYRGTKIUKA-GOSISDBHSA-N 416.569 4.876 0 1 HJAF COCCn1cc(-c2csc(-c3cn(C)c4ccc(OC)cc34)n2)c2cccnc21 1857761648 QXKPOEIZHQSGNT-UHFFFAOYSA-N 418.522 4.974 0 1 HJAF Cc1cc([C@@H]2[C@H](C(C)C)CC[C@]2(C)CC(=O)O)c(C(=O)O)c(O)c1Br 2356511152 ZOSSDTMJKVYMOL-SGJUXQJHSA-N 413.308 4.792 0 1 HJAF CCC=CCC1=CCO[C@@H]2[C@H](CCOC(=O)c3ccccc3)C[C@@H](C(=O)OC)C[C@@H]12 2356785431 AEWFWIVASICADC-BXXSPATCSA-N 412.526 4.730 0 1 HJAF CC(C)[C@@H](O)[C@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2356792878 GXEGLKFHCXONNK-PMTPJXHYSA-N 402.619 4.957 0 1 HJAF C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)n1nnc(-c2cccs2)n1 932070 WQAIUBFVLFEGEX-ZDUSSCGKSA-N 405.508 4.792 0 3 HJAF aggregator C[C@@H]1CCC[C@@H](NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C 6930483 ZRHSCMXFOILLCB-ROEJJBDBSA-N 403.513 4.846 0 1 HJAF COc1ccc(-c2cc(NC(=O)[C@@H]3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC 13493272 WTKKPCSHTSTRTE-GOSISDBHSA-N 413.477 4.601 0 1 HJAF CC(C)CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@H]1c1ccccc1 28126184 MDPQPLJZBUPJTB-SQJMNOBHSA-N 402.494 4.741 0 1 HJAF CC(C)=CCC[C@H](C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H]4C(=CC[C@@H]12)C(=O)O[C@H]4C[C@@]3(C)O 38558873 QQIDJUCXUQXXFU-NLAIFWKLSA-N 402.575 4.549 0 1 HJAF C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 40939706 NVPFDMRQMYYBQN-DNVCBOLYSA-N 407.341 4.542 0 1 HJAF Cc1[nH]c(C)c(-c2ccc(OCc3cc(F)cc(F)c3)nc2)c(=O)c1Br 45187982 FCTOCXXWEQGGHU-UHFFFAOYSA-N 421.241 4.673 0 1 HJAF COc1cc(-c2noc(NC(C)=O)c2-c2ccc(Cl)cc2)cc(OC)c1OC 45348069 IDFXVDYCURTERL-UHFFFAOYSA-N 402.834 4.646 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Oc3ccccc3Cl)c2)cc1 68600723 BYMCBZMQZXITSJ-UHFFFAOYSA-N 401.871 4.668 0 1 HJAF biogenic COc1ccc(CCNc2nc(NCCC(C)C)c3cc(OC)c(OC)cc3n2)cc1 82130754 ZVPGNROACAYWTJ-UHFFFAOYSA-N 424.545 4.768 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccc(-c2ccccc2)cc1 82153934 GFOBPEODPDSXAS-GOSISDBHSA-N 418.541 4.787 0 1 HJAF CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCc3ccccc3)ncnc21 82178459 HOEABTNPIOHPNY-OAQYLSRUSA-N 418.589 4.970 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CCc1ccccn1 82180552 FMDWDXLBZLUWJY-UHFFFAOYSA-N 414.557 4.973 0 1 HJAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 82180726 WJCLCKUILKMHAM-MRXNPFEDSA-N 404.493 4.728 0 1 HJAF Cc1ccc(Cl)cc1Oc1ccncc1CNc1ccccc1S(C)(=O)=O 84671771 QXPMHBPBNXSUDJ-UHFFFAOYSA-N 402.903 4.851 0 1 HJAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)cc1 142953772 XDGFUECFABCQNQ-GOSISDBHSA-N 416.525 4.562 0 1 HJAF C[C@]1(C(F)(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc2O1 143604261 DIWPNCHKAKJKPM-OXQOHEQNSA-N 419.403 4.538 0 1 HJAF C[C@H](Nc1nccc(Nc2cc(C3CC(F)(F)C3)[nH]n2)n1)c1ccc2[nH]ccc2n1 144908424 DTIPYTJPPYYCBX-NSHDSACASA-N 410.432 4.505 0 1 HJAF CO[C@@H]1O[C@@H](OC)C2=C1[C@H]1C[C@H]1[C@H](C)C[C@@H](OC(C)=O)[C@H]2[C@H](C)CCC=C(C)C 166350406 FIIDPPXHLGJPTN-PQUOMZPWSA-N 406.563 4.865 0 1 HJAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC[C@@H]1C 169373248 XVUOZRSARADKPL-HOTGVXAUSA-N 414.933 4.837 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(Cc4cccnc4)C3)cc12 226048644 HATMRDUPPAWOII-QGZVFWFLSA-N 402.473 4.762 0 1 HJAF S=C1NN(c2ccccc2)[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3ccccc3)C2)N1 299846374 MDOFYMKMZGTYJP-ACHVPNTGSA-N 401.535 4.875 0 1 HJAF O[C@@H]1C[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21 586904986 WYCZDDIOEBXGDQ-ZUZCIYMTSA-N 408.093 4.657 0 1 HJAF O=C1c2ccccc2-c2cc(-c3c(O)ccc4ccc(=O)oc34)nc3ccc(O)c1c23 586993059 DMIFRRGPLKTOSD-UHFFFAOYSA-N 407.381 4.631 0 1 HJAF Fc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1Br 587007452 YOZWTCBXQOMEBS-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587112094 KKUKYVYSZABUGV-UHFFFAOYSA-N 405.401 4.591 0 1 HJAF CN(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 587341808 YOYCUIWLDZBMAG-UKILVPOCSA-N 419.452 4.702 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587456735 XXLKULJANCWZKP-AMZDPNTKSA-N 414.457 4.871 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(C(=O)O)ccn3)cc1)CC2=O 587490746 ZHWKJPRNNVQQMP-QFIPXVFZSA-N 403.434 4.811 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)cc1Cl 587541542 FLYVWVBIEGJKJA-OFNKIYASSA-N 418.836 4.934 0 1 HJAF COCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573291 VQCCDZLAGSWOJL-ZJSXRUAMSA-N 408.425 4.815 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599338 WUQXWFHBAJMBAH-IQOKHDRSSA-N 410.466 4.626 0 1 HJAF CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587696210 DMFKITUVNPNSLQ-NSPYISDASA-N 410.714 4.999 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697704 SXAVNNYLKUVJDI-XYZCENFISA-N 419.121 4.665 0 1 HJAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2ccc(F)c(Br)c21 587754187 DEAGSOXKPUJMLB-GTJPDFRWSA-N 417.322 4.973 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1 587772013 UXEWNQTWLQPOCR-YBTHPKLGSA-N 407.327 4.784 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587808376 ZFQHFSQMNKTAOX-FIKIJFGZSA-N 414.322 4.766 0 1 HJAF O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587874757 BHJGWXGQOBBNNW-UHFFFAOYSA-N 423.407 4.731 0 1 HJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587952894 XNEFWSTYPUZMDO-MKBNYLNASA-N 404.454 4.903 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccncc1)(c1ccc(Cl)cc1)N(C)[C@@H](C)C2 962571598 IPNXTQDTPFIZEB-UPCLLVRISA-N 408.929 4.921 0 1 HJAF COc1ccc(-c2cnc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)cc1OC 1857591898 DSGYAYIVMQFOBX-UHFFFAOYSA-N 415.371 4.979 0 1 HJAF CC(C)Cn1c(=N[C@H](C)c2ccc(Cl)cc2)[nH]c2c(cnn2C2CCCC2)c1=O 1911579474 FOXLKZVWKMJQNM-OAHLLOKOSA-N 413.953 4.613 0 1 HJAF CC(=CCO)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@@]12C 2356442476 DHBPVKBZOWIHTC-SMOZNVCYSA-N 406.563 4.891 0 1 HJAF CC(C)=C[C@H](C)CC=CCc1c(O)cc2c(c1O)C(=O)[C@@H](c1ccc(O)cc1O)CO2 2356774506 ZXALVCPICGWIFY-DNVCBOLYSA-N 424.493 4.959 0 1 HJAF O=C(NCc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)on1 61930522 KVMSTIITFOZTST-FQEVSTJZSA-N 423.900 4.625 0 3 HJAF O=C1NC[C@@H](CSc2nc3cc([C@H]4CCCc5c4[nH]c4ccccc54)ccc3o2)N1 1655157 UDHYNEYETREZIB-LSDHHAIUSA-N 418.522 4.551 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@H](C(C)C)CC[C@](C)(O)[C@H]1O2 13308458 OQZVJZANQOAJDB-JNEFKUQGSA-N 424.537 4.878 0 1 HJAF biogenic COc1ccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1 13742757 JUNSASVZVKBFQH-BJWOPKJYSA-N 422.569 4.547 0 1 HJAF C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c(-c3ccccc3)cc(=O)oc12 14585960 ZJEGMYRKQKKGKH-KDOFPFPSSA-N 422.477 4.580 0 1 HJAF biogenic CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](CC)OC(C)=O)cc(=O)oc12 14586084 SWZGXMPUJHYEME-KRWDZBQOSA-N 416.470 4.710 0 1 HJAF biogenic COc1ccc(CC2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)cc1 29203741 QJAHWQQVSJQCHI-HSZRJFAPSA-N 405.538 4.543 0 1 HJAF CCOc1ccc(Cc2nc3cc(NC(C)=N)ccc3n2CCN(CC)CC)cc1 34875293 XRFPDRVMYWWIDB-UHFFFAOYSA-N 407.562 4.777 0 1 HJAF CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F 82217009 MRTKGOMJAITDCZ-UHFFFAOYSA-N 424.495 4.804 0 1 HJAF O=C(O)c1cn(C(=S)c2ccc(O)cc2O)c2ccc(OCc3ccccc3)cc12 103194628 YQZQBFZRZHPUEJ-UHFFFAOYSA-N 419.458 4.554 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@@]4(C)[C@@H]3CC[C@@]12C 169713537 CJNYDPBXKCGRGK-RAAHORHBSA-N 402.623 4.580 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@H]1[C@H](C)C[C@H](C=C(C)C)OC(C)=O 238772409 PKZDHQQHMWMSHL-KDFINBGESA-N 420.546 4.686 0 1 HJAF Cc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)c1 253782438 OEHMLOUHECZJOD-PUXCOOOISA-N 406.570 4.847 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCc5cc(Cl)ccc54)ncc23)ccn1 261115644 IRCIYRGUVDZTEQ-SFHVURJKSA-N 418.888 4.791 0 1 HJAF O=c1c2c[nH]nc2c2ncc(-c3ccccc3C(F)(F)F)cc2n1CC(F)(F)F 473129013 DOLHLWAQTXUOSM-UHFFFAOYSA-N 412.293 4.521 0 1 HJAF O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 586982650 NOCQEWRYTZGPAF-UHFFFAOYSA-N 420.135 4.854 0 1 HJAF Cc1cncc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586985058 XXLASLRZSKUVRA-UHFFFAOYSA-N 407.271 4.948 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587013716 XJTBRXBDYFADLU-UHFFFAOYSA-N 421.242 4.882 0 1 HJAF CC1=C(c2ccc3nc([C@@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587112224 DPIDSFVBNHXYMG-ZDUSSCGKSA-N 414.431 4.683 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(O)c1OC 587350800 LLZUVJDBUYKFAQ-ZJSXRUAMSA-N 424.424 4.528 0 1 HJAF COc1cccc2c1C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351926 NPAIANGBTOUWMM-ILBGXUMGSA-N 404.437 4.827 0 1 HJAF COc1ccc(OC)c2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354029 SVHDHRFTAHXABF-RCZVLFRGSA-N 420.436 4.749 0 1 HJAF COc1cc2c3c(c1)O[C@](CCOc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427465 HVWFOBLAWFPFDU-SQJMNOBHSA-N 404.437 4.946 0 1 HJAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587447259 OQBPNIZIAAKJLQ-HFZDXXHNSA-N 414.457 4.870 0 1 HJAF COc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587498861 JGTBQYYEEMVWNF-KRWDZBQOSA-N 403.272 4.749 0 1 HJAF COCCCc1cc(OC)c(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526610 YQNWOHFEQFQZAD-QFIPXVFZSA-N 410.510 4.868 0 1 HJAF CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554686 DRYOFNVZFQFJJF-AUSIDOKSSA-N 412.388 4.946 0 1 HJAF CC(C)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587580615 SUHAVTFULWPGNK-SQJMNOBHSA-N 417.461 4.864 0 1 HJAF CCOc1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587587753 HNVDULPNFUEMDD-URXFXBBRSA-N 401.418 4.975 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(O)cc2)n1 587614728 SXTDXQWTWJKCMY-DENIHFKCSA-N 417.442 4.924 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCCN2)N1 587796647 QVQDNFRHLPSKIW-IBZMOEQTSA-N 403.339 4.508 0 1 HJAF CC(=O)SC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844192 KUJOISJWQHIAJV-HXPMCKFVSA-N 408.336 4.646 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(OC)c1O 587859521 XXOUNWQIVBBKGZ-UHFFFAOYSA-N 407.253 4.658 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC3 963070282 SUTVFSPDAGNTCS-IEBWSBKVSA-N 413.562 4.760 0 1 HJAF Oc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1 1772606872 XRPWZCQKYPEIGU-UHFFFAOYSA-N 401.495 4.566 0 1 HJAF O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2F)CC1 1772629971 UHOGOEXNXFENBI-IYARVYRRSA-N 414.477 4.581 0 1 HJAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@H](c2cccs2)N2C(=N1)Nc1ccccc12 1857567707 UCCOOBMVTLDQJJ-BZNIZROVSA-N 407.417 4.859 0 1 HJAF CC[C@@H](C(=O)Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1ccccc1 1857606589 UBQXOGUYNUSJLC-LJQANCHMSA-N 404.514 4.529 0 1 HJAF CC(C)=CC[C@@]12CCN(C)[C@H]1Nc1c(Br)cc(Br)c(O)c12 2356686964 YZJXVTXZQKEAOV-CVEARBPZSA-N 416.157 4.598 0 1 HJAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2ccccc2c1 199716008 WFAUMYTYBAYSPT-QFIPXVFZSA-N 406.913 4.804 0 3 HJAF CCOCCOc1cccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)c3cc(C)oc3C)nc12 205210071 GHCBLWHKPKKCNJ-JKSBSHDWSA-N 423.513 4.554 0 3 HJAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4cc(C)on4)oc3C)ccc21 28563995 DZEBXLFVYQEPOX-IEBWSBKVSA-N 410.470 4.709 0 1 HJAF CN(C)c1ccc(Nc2nc(NC3CCC(N(C)C)CC3)nc3ccccc23)cc1 29203239 UIIFWEXIKMKOIZ-UHFFFAOYSA-N 404.562 4.724 0 1 HJAF O=C1OCC2=C1[C@H](c1cc(Cl)cc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 45484915 FEDJBQVDROTVNO-HNNXBMFYSA-N 410.640 4.744 0 1 HJAF Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 73223219 HQHGWCLUVCPXGQ-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF O=C(OCCC1CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081587 HAOYJCGJTVRWLJ-QGZVFWFLSA-N 416.543 4.769 0 1 HJAF C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@@H]1OC[C@]2(C)CC[C@H](O)[C@@]3(C)[C@@H]12 95590381 LZBMDSMLVLGIEW-KKIJVXMMSA-N 412.570 4.673 0 1 HJAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O 101164702 AJMNLBKMFPNGME-OAQYLSRUSA-N 404.510 4.616 0 1 HJAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1 103269152 QEGWVLIYGKYYLC-UXHICEINSA-N 404.432 4.814 0 1 HJAF CCN(CC)CCOc1ccc2c(c1)C1(CCOCC1)c1oc3ccccc3c1C2=O 114803763 JUFUXNHITYANFR-UHFFFAOYSA-N 419.521 4.794 0 1 HJAF CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C(\C)I)cc1)N2 140476334 FMZWUJWDVRSFBN-DVBOTSIPSA-N 409.311 4.686 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@@H](F)[C@]4(O)CC(=O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141095726 VIFFEHIQPNWLHS-JJTWKFQISA-N 401.497 4.889 0 1 HJAF Cc1ccc2nc([C@@H]3[C@@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@H]43)[nH]c2c1 150324116 BLBYVQATGPHXAX-RJGXRXQPSA-N 424.460 4.585 0 1 HJAF C[C@@H](NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1 166904428 SVSJNQNJSDMEAF-OAHLLOKOSA-N 408.465 4.506 0 1 HJAF COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(c4cccc5cccnc45)C[C@@H]1CC3)CO2 169372963 NDBSQHOHKNHYKI-ACRUOGEOSA-N 414.505 4.704 0 1 HJAF C[C@H]1Cc2c(nnn2-c2ccc(F)cc2)[C@@H](C)N1C(=O)c1cccc(Cl)c1Cl 218497580 KMURBPZFLYXUNM-NWDGAFQWSA-N 419.287 4.861 0 1 HJAF O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(C(F)(F)F)cc1 219656859 FEJSMMIZTOMLEL-UHFFFAOYSA-N 415.293 4.978 0 1 HJAF in-vitro O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]2CN(c3nc4ccccc4o3)[C@H]2C1 261188301 YFDJIMJVVGFZJM-XXBNENTESA-N 409.489 4.846 0 1 HJAF Cc1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc1 299825948 MDVNMROUGHDKOJ-UHFFFAOYSA-N 424.476 4.707 0 1 HJAF COc1ccc2nc(C)cc(N3CCC(NC(=O)Nc4ccc(C)cc4)CC3)c2c1 299867927 QUDUGWKIWZIRLQ-UHFFFAOYSA-N 404.514 4.651 0 1 HJAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586962985 VYLAWALUYPLEQQ-ZETCQYMHSA-N 403.227 4.988 0 1 HJAF Fc1ccc(I)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587182077 DIVLLYJULBIQFX-UHFFFAOYSA-N 422.119 4.872 0 1 HJAF COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1C 587229250 CPXBDLHPASOSGO-UHFFFAOYSA-N 408.502 4.844 0 1 HJAF C[C@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350579 XCFUBZKXVLHXKJ-LADGPHEKSA-N 400.409 4.749 0 1 HJAF O=C(O)C1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358758 XGGYAHVGTVLELJ-ATKXJZHDSA-N 410.441 4.540 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587399085 IJYHGPBUFGGWPE-VWLOTQADSA-N 401.462 4.911 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)O2 587401602 SYDFARRDOMCHBV-DHLKQENFSA-N 417.461 4.663 0 1 HJAF COc1cc2c3c(c1)O[C@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587430298 GKNUTTWCXDSBLE-HFZDXXHNSA-N 416.521 4.975 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c(C)n(CC(=O)O)c3ccccc13)CC2=O 587470500 KGIHOXNWTNKXPA-RUZDIDTESA-N 421.493 4.963 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 587528944 GYNSLHDZFIZZOF-HHHXNRCGSA-N 424.452 4.717 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(N1CCOCC1)=CSc1ccccc12 587537897 LKKVZUGBSUEBEX-VWLOTQADSA-N 419.546 4.705 0 1 HJAF Cc1cccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 587581529 LVBPMOSAHWAUOZ-WIOPSUGQSA-N 412.445 4.763 0 1 HJAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593406 COWABNZOIYENDJ-ZJSXRUAMSA-N 406.434 4.893 0 1 HJAF Nc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587614734 SZOCPKBWFYRDQB-XUZZJYLKSA-N 415.470 4.941 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)s3)c(C(=O)C(F)(F)F)c2c1 587650103 WXXSNPAWRAJBRP-UHFFFAOYSA-N 407.822 4.698 0 1 HJAF CCOc1ccc(-c2nn(C(=O)c3ccccc3)c(=O)c3ccccc23)cc1OCC 587669368 KSYIBYOOPRWVNA-UHFFFAOYSA-N 414.461 4.549 0 1 HJAF COC(=O)c1ccc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587694708 QDVBKLMMSFZNEM-XYZCENFISA-N 412.686 4.652 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCCN(C)C)N1 587742223 QKXRXMPBUVYIQP-QKKBWIMNSA-N 421.354 4.542 0 1 HJAF COc1cccc2c1OCC([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 587835572 QBCMISUXESMRMV-NSPYISDASA-N 404.279 4.648 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nccs2)N1 587853055 KNWVTAIZUATXND-BUXKBTBVSA-N 403.320 4.871 0 1 HJAF COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC 587925807 HUEIPESJYYLNAD-SNVBAGLBSA-N 415.362 4.975 0 1 HJAF CCCCn1c(SCC(=O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCC3 957653409 GYMLCBLBCVCBOD-UHFFFAOYSA-N 416.543 4.861 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(c1cccc(Br)c1C)N(C)[C@H](C)C2 962626772 GEBGJZVLSBARAF-LRTDBIEQSA-N 404.348 4.915 0 1 HJAF Fc1cc(I)cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1 963114617 VFMBJQBDHHKZOY-AEFFLSMTSA-N 411.233 4.679 0 1 HJAF C[C@@H](N)C[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817124 JNVOHLXCRFLQQA-XHCCPWGMSA-N 411.549 4.874 0 1 HJAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356314156 NGPOJZSMISXPJG-NLWGTHIKSA-N 411.521 4.799 0 1 HJAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356319914 SBWDYFUYGAMEGM-STUBGMFKSA-N 418.574 4.852 0 1 HJAF Cc1ccc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)o1 13829080 DIUULQKYRSUVGA-PETIARSGSA-N 407.432 4.875 0 3 HJAF COc1cc([C@@H]2OC(c3cc(OC)c4c(c3)OCO4)=C(C)[C@H]2C)cc(OC)c1OC 14435666 VPSNRNADTQYGQE-MPBGBICISA-N 414.454 4.588 0 1 HJAF biogenic CCCCc1ncc(/C=C(/Cc2ccsc2)C(=O)O)n1Cc1ccc(C(=O)O)cc1 28006554 JYERRXMRJUYTPA-UNOMPAQXSA-N 424.522 4.744 0 1 HJAF Clc1ccc([C@@H]2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1Cl 28882963 RTXNVJXREKUAHX-SFHVURJKSA-N 420.384 4.878 0 1 HJAF COc1c(-c2ccc3cnccc3c2)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090263 KDIOWONNUCSWJF-UHFFFAOYSA-N 415.474 4.876 0 1 HJAF COc1ccc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 66258914 NGUXVMBTGYJUQG-DHIUTWEWSA-N 419.477 4.593 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2F)oc1C 82175800 YWGQYJLTUBYYEE-UHFFFAOYSA-N 424.520 4.940 0 1 HJAF CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCc3cccs3)ncnc21 82221692 PGSXEPIBGUXLPX-INIZCTEOSA-N 412.607 4.573 0 1 HJAF Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1ccccc1 95562384 TYZQPONPSNZARX-UHFFFAOYSA-N 403.438 4.663 0 1 HJAF Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C3=NC(=O)CS3)cc2c1 98085534 NXLXKAWLUJUKJA-LJQANCHMSA-N 420.925 4.977 0 1 HJAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(F)cc2)cc1 100092810 PQYLESADGCUBSG-UBRQYEGLSA-N 401.485 4.773 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3cc(C)ccc23)C(F)(F)F)c(C)c1 103253860 CVFDJBVNXZCLBL-LJQANCHMSA-N 424.488 4.853 0 1 HJAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC(F)(F)F)cc3)oc2c1 168491637 WDBZIQKBOOBCHE-LLVKDONJSA-N 403.360 4.644 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1[C@]21N=C(C)C(N)=N1 169708535 XSPYGYYSPGDIRH-ZUEZHPSSSA-N 408.933 4.518 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](C)CN(C)C 299884560 UAGISAOBKPZBCO-VOBQZIQPSA-N 411.949 4.559 0 1 HJAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997486 SBQCQXGYBQEFAY-LLOBAQNPSA-N 424.500 4.745 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587064498 BGKXRECLVMZFBU-UHFFFAOYSA-N 402.731 4.774 0 1 HJAF CN(C)C(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587092301 CGYMVDYYMFEZNY-UHFFFAOYSA-N 401.310 4.969 0 1 HJAF COC(=O)c1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2c(F)c1Nc1ccccc1 587251361 DSKCIKMAOBTKJO-XFXZXTDPSA-N 402.429 4.985 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348424 WSZCZQSYLSQKDB-IEFSCDDCSA-N 417.480 4.781 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)cc3)nc1)CC2=O 587489278 TVZPFGRLMXPLKV-HSZRJFAPSA-N 417.461 4.900 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 587652065 VHUASWJTKPCVDJ-UHFFFAOYSA-N 402.763 4.573 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccn2)N1 587679970 NFHZJKDHFUZRBO-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3F)c2)N1 587729464 VOIGXYFYUNWGAU-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1 587764255 CQIPAIQUVVNLLT-LRTDBIEQSA-N 417.322 4.513 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncnc(Cl)c3s2)N1 587858447 QRPPWECNXVQVNZ-WJWGPLDTSA-N 412.715 4.870 0 1 HJAF CCOc1ccc(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943481 DVCKYBPBWAMRCJ-UHFFFAOYSA-N 401.409 4.910 0 1 HJAF CC(=O)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(C)=O)cc3)N2)cc1 653709104 CWBUPCNFXWQTOZ-ZRZAMGCNSA-N 409.526 4.613 0 1 HJAF O=C(O)c1cc(S(=O)(=O)Nc2cccc(-c3ccccc3)c2)c2ccccc2c1O 653726148 KZQOMSULEJYOHX-UHFFFAOYSA-N 419.458 4.711 0 1 HJAF Cc1nc(COc2ccc([C@H]3c4ccsc4CCN3Cc3cccn3C)cc2)no1 962371796 HROMEDQJQQMCMJ-QHCPKHFHSA-N 420.538 4.505 0 1 HJAF CN1CCc2ccc(Nc3nnc(-c4cc(F)cc(-c5cccnc5)c4)o3)cc2C1 1772604916 NBENGAWWUCXMFL-UHFFFAOYSA-N 401.445 4.669 0 1 HJAF COc1c(OCC=C(C)CCC=C(C)C)cc(O)c2c1[C@@H](OC(C)=O)[C@H](C)OC2=O 2356580822 BFVQDTCEZTWFDK-BTYIYWSLSA-N 418.486 4.635 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCC(C)(C)CO 4273964 JPWZPDJCFHCLEN-RTBURBONSA-N 412.933 4.628 0 1 HJAF COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 13473088 DASDCIRXSWKVTA-RBBKRZOGSA-N 419.521 4.655 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccncc1 26748354 GZTOZJKZUJLUAM-UHFFFAOYSA-N 400.282 4.557 0 1 HJAF CC(C)c1csc(/C=C/c2ccnc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 27424336 JNAGFOYEVLXDKM-BQYQJAHWSA-N 407.495 4.711 0 1 HJAF COc1cc2c(C)[nH]c(=O)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2cc1OC 28106915 AXAIMCUNZRVIAW-UHFFFAOYSA-N 421.375 4.517 0 1 HJAF c1ccc(C(CN2CCC(NCCCN3CCCCC3)CC2)c2ccccc2)cc1 28125870 UYBVFVURYRJXQA-UHFFFAOYSA-N 405.630 4.749 0 1 HJAF COc1ccc(N2Cc3c(Cl)cccc3C2=O)cc1OCCN1CCC(C)CC1 28819743 SFCUBPJDBVYXNF-UHFFFAOYSA-N 414.933 4.620 0 1 HJAF CC(C)N(CC[C@@](CCN(C)C1CCCCC1)(C(N)=O)c1ccccc1)C(C)C 39254128 UAPPLWSYEGNSAN-RUZDIDTESA-N 401.639 4.573 0 1 HJAF CCOC(=O)c1c(C)nc(NCCc2c[nH]c3ccccc23)nc1-c1ccccc1 71280489 JXGSLNUTHLCMHI-UHFFFAOYSA-N 400.482 4.765 0 1 HJAF CCc1cc(CC)nc(OCCCn2c3c(c4cc(C(=O)OC)ccc42)CCCC3)n1 73158381 PKFXWMRGWRDZKT-UHFFFAOYSA-N 421.541 4.691 0 1 HJAF COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)C(C)(C)C)cc2C1 84653515 TWYSCOSMNZQGFA-SFHVURJKSA-N 421.946 4.625 0 1 HJAF O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115653701 YXMHNMINORWDOM-QHCPKHFHSA-N 403.869 4.545 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118921460 DQULAPZHEUOOPV-DKUOUXCGSA-N 422.581 4.723 0 1 HJAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C(C)(F)F)nc1C 141924443 YPCIZBNHSOHCSR-UHFFFAOYSA-N 420.463 4.917 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169370515 GZGRNURZGJTHEM-RKRMHJIESA-N 402.623 4.725 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cnc3C)cc1[C@]21N=C(C)C(N)=N1 169708698 KWUKMYMZASNCGG-PBSMCPNCSA-N 422.960 4.826 0 1 HJAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(-c3ccccc3)ccc21 169722176 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Cc1nn(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1Br 586979230 UGQVDIIYBCGVQI-UHFFFAOYSA-N 407.621 4.859 0 1 HJAF CCOC(=O)C(=C1SCS1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994120 VKFZHVMMZPQAHQ-UHFFFAOYSA-N 421.499 4.821 0 1 HJAF Cc1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005250 DZBZDMIIWUXMQW-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)nccc2[nH]1 587075935 GMUCKXLUVHCEOJ-UHFFFAOYSA-N 401.651 4.808 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1OC 587083205 JQJKRDKNYZNCTA-UHFFFAOYSA-N 402.237 4.880 0 1 HJAF Fc1cccc(-c2nc3cccc(I)c3[nH]2)c1C(F)(F)F 587098879 YFDYYAOBKSAWNW-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF FC(F)(F)Oc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120353 ZNWSXHRNGWRLTG-UHFFFAOYSA-N 404.314 4.604 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2cnc3ccccc3c2[nH]1)c1ccc(F)cc1 587170131 JJCZRPNCVWHKTN-UHFFFAOYSA-N 418.453 4.718 0 1 HJAF Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 587181827 FHCNTZPCCSWTOY-NSHDSACASA-N 408.287 4.579 0 1 HJAF Cn1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F 587332882 TVHVUSIHHDKJDR-ICSRJNTNSA-N 420.362 4.558 0 1 HJAF C[C@H](O)[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376745 PYZUXRXBUXEWJA-BJUBFADDSA-N 418.873 4.881 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Nc3ccc(Cl)cn3)s1)O2 587414690 UWWDQJSKGPONHB-LJQANCHMSA-N 400.891 4.706 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc3[nH]ncc13)CC2=O 587459691 OZLXJJBBZCJAHS-SFHVURJKSA-N 401.260 4.690 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1Cl)CC2=O 587463190 WIEDJXLCHRGFPM-QFIPXVFZSA-N 402.874 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(C(=O)O)cc21 587489576 NZNMIVLMHTUWEM-RUZDIDTESA-N 400.430 4.932 0 1 HJAF O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587505196 YULMOUQSLRLMBF-VXFXUCHBSA-N 422.864 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)cc(Br)c1 587540766 QXUDEBFONJPNHL-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 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COc1c(C)cccc1[C@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963188256 VZDCDUPJUXJWOZ-LPHOPBHVSA-N 413.823 4.538 0 1 HJAF Cc1cccc([C@]2(C3CC3)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963201365 YMTCMKHSTBBHQT-UZLBHIALSA-N 409.835 4.920 0 1 HJAF CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356557319 JRSIPWOSJIRGLU-CHOVIJNXSA-N 402.531 4.719 0 1 HJAF COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 36388456 CNLGTHUEDDZJOG-PGRDOPGGSA-N 420.484 4.528 0 3 HJAF CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 2489461 AQNJZLTYTADRSD-PZJWPPBQSA-N 400.563 4.512 0 1 HJAF COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C 3927451 MCTILYQGJNAZGL-SFHVURJKSA-N 411.864 4.819 0 1 HJAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 15261208 HDRFYISWHFCNJB-GSNKCQISSA-N 408.583 4.635 0 1 HJAF COc1ccc(OC(F)(F)F)cc1C1=C[C@]2(CCCN[C@@H]2c2ccccc2)OC1 26651181 ZACQZIWOFJIWSX-RTWAWAEBSA-N 405.416 4.871 0 1 HJAF CC(C)(C)OC(=O)n1cc(C[C@H]2CN(Cc3ccccc3)CC[C@@H]2O)c2ccccc21 27617322 WEFVJADSVQYLMI-URXFXBBRSA-N 420.553 4.850 0 1 HJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@H]4OCC)O[C@@H](C)CC3=O 29132918 OMIZSNPUKICYBX-LDLUMPKVSA-N 420.889 4.859 0 1 HJAF CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)cc3)oc2C)c1)C(=O)O 34717681 VKXXMTBEMZTIPR-JOCHJYFZSA-N 422.456 4.824 0 1 HJAF CCC[C@@H](Nc1cncc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)c1ccccc1 36425349 PDELKAVIWUKKPJ-JOCHJYFZSA-N 416.525 4.569 0 1 HJAF Fc1ccc(CN2CCN(c3ncnc4cc(-c5ccccc5)sc34)CC2)cc1 45322900 FXWOXTXTZMNFRK-UHFFFAOYSA-N 404.514 4.820 0 1 HJAF O=C(NC1CCCC1)c1noc(-c2ccc(OC(F)(F)F)cc2)c1Br 66077142 BUKJFZKNQOTMCQ-UHFFFAOYSA-N 419.197 4.675 0 1 HJAF Cc1ccc(Cc2cnc(-c3cccc(C(=O)NC4CC4)c3)c(C)c2)c(C(=O)O)c1 96173376 ZAKNMTPLTYJRPV-UHFFFAOYSA-N 400.478 4.547 0 1 HJAF COc1ccc(N(C)c2nc(NC(=O)C(C)(C)C)nc3[nH]c4ccccc4c23)cc1 96923698 ORICWCGVVQDSFL-UHFFFAOYSA-N 403.486 4.872 0 1 HJAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104700328 NEDFIBNLCBYNCE-JOCHJYFZSA-N 402.498 4.868 0 1 HJAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 142182685 PCKPLKTXIIQVRV-XMSQKQJNSA-N 402.542 4.792 0 1 HJAF Cc1c(-c2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 201144304 DJIDIHUSPOBXQY-UHFFFAOYSA-N 413.447 4.501 0 1 HJAF CC[C@H](C)CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C 238770513 BHFBPDQHVUVZJC-CSUZYYKASA-N 404.503 4.789 0 1 HJAF Cn1c(CN2[C@H]3CC[C@@H]2C[C@@H](c2ccc(C(F)(F)F)cc2)C3)nc2ncccc21 254047062 IZHSVHBZIDFPRT-XGWQRUHWSA-N 400.448 4.898 0 1 HJAF CC[C@H](C)CC(F)(F)[C@]1(O)CC[C@H]2[C@H](CCCCCCC(=O)O)C(=O)C[C@H]2O1 504477378 SDDSJMXGJNWMJY-PHVMSBPJSA-N 404.494 4.556 0 1 HJAF biogenic C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@H]([C@]3(C)CCCC[C@@H]3C(=O)O)CC[C@]12C 504537180 BWPVHESSENIYDR-KOYQIIAWSA-N 422.562 4.912 0 1 HJAF biogenic COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 586915805 IGXTYRIUKVWUQU-BFUOFWGJSA-N 403.251 4.681 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(OCC(=O)N(C)C)cc4)nc13)-c1ccccc1C2=O 586995602 IYCCOPDOXWIPPO-UHFFFAOYSA-N 422.484 4.889 0 1 HJAF Cc1c(Br)cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1C 587037534 GACRKFQHFNABKI-UHFFFAOYSA-N 424.324 4.808 0 1 HJAF COC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1OC 587150484 RSMWOMWGHKNZCP-IBGZPJMESA-N 405.429 4.699 0 1 HJAF COc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Cl 587185129 XNNSIGKYBRMWJR-WAYWQWQTSA-N 410.642 5.000 0 1 HJAF CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587238787 FXMXGKPOEATGGV-WTBBCNCBSA-N 417.575 4.840 0 1 HJAF O=C1C[C@]2(C[C@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1 587497710 GAFOQYYQLKVJQI-YWZLYKJASA-N 421.440 4.611 0 1 HJAF COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587547888 VFLNYAKGHNKKOG-UGKGYDQZSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1F 587557308 MNMZJIBGRVXMDY-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Cn1ccnc1 587579158 STCOAUSEZHSSCI-CODAWKSHSA-N 404.466 4.570 0 1 HJAF Cc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587682735 VDAKCUAEJPROBM-BCTVWOGZSA-N 414.116 4.678 0 1 HJAF Cc1nc2ccccc2nc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587779359 REDVIXOEQJBHAK-GIPWTMENSA-N 400.295 4.638 0 1 HJAF Cc1cc(C)c2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)coc2c1 587840508 YGHZZRPYBNKFKL-FKIZINRSSA-N 416.290 4.935 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncnc(Cl)c3s2)N1 587854062 BHJVXWCZTZNGNR-JKYUHCHBSA-N 412.715 4.870 0 1 HJAF CCc1cc(CC)nc(SCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)n1 653700759 YIMABYGUVICMNE-UHFFFAOYSA-N 412.584 4.688 0 1 HJAF CCOC(OCC)c1ccc([C@H]2c3cc(OC)ccc3CCN2CCCOC)cc1 961326136 QZLFDJVLRJDUGJ-DEOSSOPVSA-N 413.558 4.751 0 1 HJAF CC(C)(C)c1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)cc1 962626589 CXUWZEOETHPZOS-RXVVDRJESA-N 407.432 4.745 0 1 HJAF CC(=O)Oc1ccc([C@@]2(c3ccc(Cl)cc3)NCCc3c2c(C(C)C)nn3C)cc1 962922429 WZJAFOKCTQJULJ-XMMPIXPASA-N 423.944 4.560 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)NCCc2cnc3c(OC)cccc3c21 963034100 LKXCBXVTYLGKGI-LVXARBLLSA-N 418.537 4.530 0 1 HJAF Oc1ccc2c(c1)[C@@H](c1cccc(OCc3ccc(Br)cc3)c1)NCC2 963353052 PHEYUNGGENHQCY-JOCHJYFZSA-N 410.311 4.969 0 1 HJAF Fc1ccc(-n2nc(CN3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1 1857557826 PFNMBOWKPGNHJZ-UHFFFAOYSA-N 405.395 4.529 0 1 HJAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccs1 1857562956 LRKPOOWWNVOMSH-UHFFFAOYSA-N 401.413 4.839 0 1 HJAF CC(C)c1ccc(NC(=O)c2c(-c3ccc(F)cc3)ncnc2N2CC[C@H](F)C2)cn1 1857595322 LNMVHUZURMUUCA-KRWDZBQOSA-N 423.467 4.602 0 1 HJAF COc1cc2sn(CCCCCCN(C)Cc3ccccc3)c(=O)c2cc1OC 1857642900 CJRZKKJNUHVRAZ-UHFFFAOYSA-N 414.571 4.773 0 1 HJAF CCC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C(F)(F)F)ccc34)cc12 1911580272 BFEUNQFSGJMQOO-UHFFFAOYSA-N 416.403 4.635 0 1 HJAF COc1c(OCC=C(C)CCC=C(C)C)cc(O)c2c1[C@H](OC(C)=O)[C@H](C)OC2=O 2356580825 BFVQDTCEZTWFDK-YCRPNKLZSA-N 418.486 4.635 0 1 HJAF CSc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1 2468535 WRLKSMMVCFOQAH-YJBOKZPZSA-N 405.317 4.941 0 1 HJAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1cccc2ccccc12 3826081 YDWDBHQIULJSHR-YGOYIFOWSA-N 412.618 4.819 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCC(C)(C)CO 4273867 QYAFTBZAHSGNDL-RTBURBONSA-N 412.933 4.628 0 1 HJAF Cc1ccccc1-n1c(=O)c2ncn([C@@H]3CCCO3)c2n(-c2ccccc2C)c1=S 5579825 ZJVYHEIWKNMKTK-IBGZPJMESA-N 418.522 4.633 0 1 HJAF CCOc1c(Cl)cc(OC)cc1CNCCCNc1cc(O)c2ccccc2n1 13487770 DQASVZXKQMSYJO-UHFFFAOYSA-N 415.921 4.593 0 1 HJAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2C1=O 13527934 YJSCMXUGMNUEOB-CTNGQTDRSA-N 407.901 4.900 0 1 HJAF CCOC1(OCC)[C@H]2c3c(Br)cccc3[C@H]([n+]3ccccc32)C1(C)C 27517502 VSBDNMJNZDGYRX-MOPGFXCFSA-N 403.340 4.580 0 1 HJAF COc1ccc(-c2cc(Cl)cnc2-c2cc(OC)c(OC)c(OC)c2)cc1O 28118151 XFLBNTOEKNZYHS-UHFFFAOYSA-N 401.846 4.809 0 1 HJAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1ccccc1-c1ccccc1 29402160 KZBYVTAYEZNKES-AEAANOBUSA-N 421.537 4.969 0 1 HJAF Cc1ccc(-n2nccc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 38359310 FEGZSXIOQDZBHO-SFHVURJKSA-N 409.964 4.571 0 1 HJAF Cc1nc2c(Cl)cccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40860812 SVGSNZOKYBSPDW-UHFFFAOYSA-N 423.944 4.743 0 1 HJAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4ccccc4)s3)CC2)nc1 64548658 ZIJHNDPDJPPCQB-UHFFFAOYSA-N 423.557 4.853 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)cc1 82179762 GEXWVUWLRGNHFJ-OAQYLSRUSA-N 413.525 4.717 0 1 HJAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NCc1ccccc1 82192303 YEIDDUQYPCKGIO-SFHVURJKSA-N 415.559 4.799 0 1 HJAF COc1ccc(SC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c(OC)c1 84690436 SXQDVBKNTASCPT-QFIPXVFZSA-N 423.578 4.859 0 1 HJAF O=C(Nc1csc(-c2ccncc2)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95577569 CWYVNWLIGCYNGU-INIZCTEOSA-N 405.483 4.530 0 1 HJAF CC[C@H](C)NCc1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2 96174222 JFKGNYCRHDTCNQ-MHECFPHRSA-N 406.570 4.603 0 1 HJAF CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 103996408 AOFSJHJDPZCEMV-IIBYNOLFSA-N 413.539 4.939 0 1 HJAF C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](C)[C@H]3O)C(=O)O 118919893 LPHVFIFMGROHAK-POVHGPARSA-N 420.634 4.970 0 1 HJAF O=C(c1nc2ccccc2[nH]1)N1CCC(c2ncccc2N2CCc3ccccc32)CC1 144835433 FIYWDHKIBDADCL-UHFFFAOYSA-N 423.520 4.672 0 1 HJAF COc1cnc2ccc([C@@](C)(F)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1 150078522 WIXYFSZDBHGKBE-JOCHJYFZSA-N 421.407 4.622 0 1 HJAF in-vitro COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1 167594268 IPMCRSFCBZAIFI-YOEHRIQHSA-N 423.431 4.755 0 1 HJAF CCCCCC[C@H](C[C@H]1OCO[C@@H]1CCCCCCCC(=O)OC)OC(C)=O 169306951 YCBXTQVGRHXKBE-NJDAHSKKSA-N 400.556 4.924 0 1 HJAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3ccccc3)c21 169722216 IFXYOMXNXTVROS-OAQYLSRUSA-N 404.397 4.714 0 1 HJAF Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226033834 CDZUATRHQBJPDK-INIZCTEOSA-N 418.932 4.752 0 1 HJAF COc1ccc(NC(=S)NC2CCN(c3cc(C)nc4ccccc34)CC2)cc1 299871955 ZONNTHXBMGYHMU-UHFFFAOYSA-N 406.555 4.507 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3c2)cc1N 586982270 JLYATAINNNEGIB-UHFFFAOYSA-N 407.271 4.636 0 1 HJAF Cc1c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029310 MFSXBJNZLJMGQF-UHFFFAOYSA-N 408.380 4.871 0 1 HJAF Cc1cc(Br)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132049 HYTNYSPXPLQNSN-JTQLQIEISA-N 416.266 4.603 0 1 HJAF Nc1ccccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587250101 HCQWAHGZHATTNB-UHFFFAOYSA-N 408.465 4.538 0 1 HJAF COc1cccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c1 587399582 LAIGCPJGBAGUQT-HSZRJFAPSA-N 419.477 4.880 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3cccc(C(=O)O)c3)c1)O2 587400234 PGWQWWISXMZUNU-JOCHJYFZSA-N 403.434 4.561 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cn(CC(=O)O)c3ccccc13)(C(C)C)CC2=O 587471449 QJLLFPUEHPWXIK-VWLOTQADSA-N 421.493 4.901 0 1 HJAF CCOC(=O)c1c(N)sc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535389 KKDDOWIJFPPKKQ-QHCPKHFHSA-N 411.523 4.583 0 1 HJAF CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 587535552 KSKBJZPPISVITC-OYRHQHFDSA-N 422.521 4.636 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1 587698877 OSCRXWFFUUZKHU-YYSFKGJASA-N 422.681 4.972 0 1 HJAF CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706750 RANOSUDTMDVFSF-QLJPJBMISA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2C(F)(F)F)N1 587711495 KVAJHYLLFFDGMJ-BCTVWOGZSA-N 404.201 4.936 0 1 HJAF CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587712920 ANJBDIFQADHICF-OVWNDWIMSA-N 410.258 4.613 0 1 HJAF C[C@@H](C[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587728518 FDYDLYRQERWEQR-ZBUHCNDUSA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](c3ncccc3O)C2)N1 587774180 SZYLNVNGZHKVPS-TUXXCZFBSA-N 405.311 4.776 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCCN2)N1 587789689 BHRMXWGUNJVBQI-XMDBHEJHSA-N 403.339 4.508 0 1 HJAF COCCCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791899 JMXKFUZRZYGQRV-RBZFPXEDSA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 587832540 ZCXCIIZYHQGCNP-XUSGNXJCSA-N 420.322 4.748 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)nc3sccn23)N1 587853674 AWFXVUQSCATYQM-ABKXIKBNSA-N 406.324 4.798 0 1 HJAF Cc1cc(C)cc([C@@]2(C3CC3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962640005 NBOSKSNBNKKSMD-FTJBHMTQSA-N 400.522 4.604 0 1 HJAF CCOc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1OC(=O)C1CC1 963117090 CJDBRMQRQHRLLA-FQEVSTJZSA-N 406.309 4.943 0 1 HJAF O=C(C[C@@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21)c1ccc2ccccc2c1 963130057 IDWFIIZIDDQBFB-JOCHJYFZSA-N 413.395 4.714 0 1 HJAF COc1ccc2c(c1OC)[C@](c1ccc(C)c(C)c1)(C1CC1)NCC21CCOCC1 963184628 HHDLCOSFJBEPBJ-AREMUKBSSA-N 407.554 4.626 0 1 HJAF Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCc2ccccc2Cl)cc1 1772635342 IJFIGMQNNLEJID-UHFFFAOYSA-N 421.928 4.808 0 1 HJAF CCOC(=O)N1CCC(c2c(C)nc3c(OCc4ccccc4C)cccn23)CC1 1857537902 LNLRDBWMLZYSKY-UHFFFAOYSA-N 407.514 4.866 0 1 HJAF Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cc(C)c(C)o4)CC3)cc2)n1 12596983 BQBUSEADUXMSGX-UHFFFAOYSA-N 406.530 4.550 0 3 HJAF COCc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cccc(OC)c2)c1 205226461 PZGYOASHGIPORO-UHFFFAOYSA-N 403.478 4.572 0 3 HJAF C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)Nc2cccc(Cl)c2)C1=O 4972154 BLXHBYNYDJQQKU-INIZCTEOSA-N 417.896 4.551 0 1 HJAF COc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]cc(CCC(=O)O)c2C)cc1 13802879 RDIYTLWMJLEVPM-NDENLUEZSA-N 402.450 4.509 0 1 HJAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1 26269574 NURSXRYHWKCZOQ-IRXDYDNUSA-N 414.590 4.828 0 1 HJAF COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc(Br)cc2)n1 26388348 PUSBQVLXBYVHHQ-UHFFFAOYSA-N 405.683 4.894 0 1 HJAF COc1ccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 36189145 JUNSASVZVKBFQH-JEWPQQIOSA-N 422.569 4.547 0 1 HJAF CC[C@H](C)[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1 45287031 LIYBAVHECOQFTG-ANQGHLFZSA-N 403.699 4.869 0 1 HJAF O=C(Nc1ccccc1)N[C@@H](OC(=O)Nc1ccccc1)C(Cl)(Cl)Cl 68586510 GEOMVUNRNHMLNQ-ZDUSSCGKSA-N 402.665 4.753 0 1 HJAF biogenic COc1ccc(/C=C/C(=O)n2ccc3cc(I)ccc32)cc1 72118132 LSYZIOTZQQOBSP-RUDMXATFSA-N 403.219 4.608 0 1 HJAF CN(c1cccc(CO)c1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1 95582774 MSGAVAUZVUOGPT-UHFFFAOYSA-N 422.333 4.978 0 1 HJAF Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCNCC2)on1 95593148 SFMKVXGJJGANQK-UHFFFAOYSA-N 419.316 4.654 0 1 HJAF CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2C2CC2)C(=O)O)=N1 96908806 OZBUXWOUSGHJPH-GOSISDBHSA-N 402.947 4.646 0 1 HJAF O=C(NCc1ccc(Cl)cc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 101713291 PFFINXWASPLKAV-UHFFFAOYSA-N 408.914 4.785 0 1 HJAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC/C(C)=C\CC1 169354480 FMTBRQQRKOQJRA-WJLTTWMDSA-N 412.549 4.572 0 1 HJAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCCC3)cc2)n1 203004459 LEMMCWCDMMUDAY-UHFFFAOYSA-N 403.534 4.511 0 1 HJAF CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 473149205 JCMIPNLNEAFFHI-UHFFFAOYSA-N 419.872 4.959 0 1 HJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(N)=O)cc2[nH]1 586983378 ZXJRUWZFLMWTJR-OAHLLOKOSA-N 400.320 4.797 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@H]2CCCC[C@H]21 587028058 VJQVETDGTAHQDU-XMCHAPAWSA-N 405.527 4.576 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccnc(Br)c3[nH]2)c1 587159291 OYZOFNVZMWWWCM-UHFFFAOYSA-N 408.234 4.865 0 1 HJAF CCOC(=O)Cc1c([C@H](C)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362949 NGLCQUOJXHWJQP-AWEZNQCLSA-N 405.450 4.816 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4c(c3)CCCC4)nc3ncccn13)O2 587393312 FVBZUAQPIGRDJZ-JOCHJYFZSA-N 424.504 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3ccc(Cl)cc3)c1C)CC2=O 587463258 UNANZWJEVYNUHF-JOCHJYFZSA-N 411.889 4.768 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C(OC)OC)oc3ccc(O)cc13)CC2=O 587475983 BHUKVSDHUCQNNN-IBGZPJMESA-N 412.438 4.794 0 1 HJAF C[C@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557873 PLPMAHVQYAOWSQ-XUZZJYLKSA-N 416.408 4.594 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1 587695432 BGTMNGGLOLUYRT-AOOQMHFFSA-N 424.697 4.660 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2-n2cccn2)N1 587722121 QXNGQXLCTXPEEJ-MPBGBICISA-N 418.285 4.711 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789155 AGNWWDYUIWEAKN-BIBXISHDSA-N 416.294 4.611 0 1 HJAF C/C(=C/[C@]1(c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587851122 AIQLXHLMRZVEEY-SQDHUCSMSA-N 409.368 4.893 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1cccc(OC)c1 587863850 BUWGBIHBXTXKNP-UHFFFAOYSA-N 419.403 4.729 0 1 HJAF COc1ccc2c(c1OC)[C@]1(c3ccccc3CCc3cc(O)ccc31)N(C)[C@H](C)C2 962569090 MEJAYYKTGSOIIV-XGCWNURASA-N 415.533 4.676 0 1 HJAF CC(C)(C)OC(=O)Nc1ccnnc1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962670135 QIROEFAURSXWJI-NRFANRHFSA-N 402.498 4.726 0 1 HJAF COc1cccc2cc3c(nc12)[C@](CCCCCC(=O)O)(c1ccccc1F)NCC3 963049998 XRBWFYGFOIAHSX-VWLOTQADSA-N 422.500 4.807 0 1 HJAF C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1 1857567759 KBLIOLOEZADQDG-NSHDSACASA-N 411.911 4.910 0 1 HJAF CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1 1857654837 YDZJMCXNMUGNRL-OAQYLSRUSA-N 420.948 4.711 0 1 HJAF COc1ccc(-n2nc(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2O)cc1 1857756512 XSMICEAFICUPJF-UHFFFAOYSA-N 402.450 4.938 0 1 HJAF CC(=CC=C1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@]1(C)[C@@H]23 2356473376 CXKPEHTZBXOOPO-KFJTYWIXSA-N 414.542 4.609 0 1 HJAF CC(C)(O)C=CC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 2356593201 ARWYIFHSLQIOAX-UQBPGWFLSA-N 422.477 4.686 0 1 HJAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)O3)cc1 61905214 BTDOWNIJYOJLRE-QHCPKHFHSA-N 415.493 4.773 0 3 HJAF CCO[C@@H](C)n1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820822 VYXDDSWGPLBVOZ-QZXCRCNTSA-N 403.573 4.715 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2cc(N3C[C@@H](C)N[C@H](C)C3)ccc2n2cncc12 13860338 RRMQEBPBEMVAOL-HZPDHXFCSA-N 420.948 4.775 0 1 HJAF COc1cc(-c2oc3cc(OCC=C(C)C)cc(OC)c3c(=O)c2OC)ccc1O 14644594 MGHQLMRCBBYPDH-UHFFFAOYSA-N 412.438 4.536 0 1 HJAF biogenic O=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959161 JNPMSEMUYZIVNF-UHFFFAOYSA-N 412.827 4.933 0 1 HJAF COc1ccc(C(=O)c2ccccc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 28259730 HZJXPJDIXMSFTF-ZCYQVOJMSA-N 400.522 4.509 0 1 HJAF Nc1nc2ccc(C(=O)c3c(F)cccc3Cl)cc2n1Cc1c(F)cccc1F 64503387 APWGKQAYROBBCL-UHFFFAOYSA-N 415.802 4.969 0 1 HJAF CCOc1ccc(COc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC 66148798 FTIHCAKXNQBAPH-UHFFFAOYSA-N 414.889 4.571 0 1 HJAF COc1ccc(Oc2c(Cl)c(C(=O)O)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 73243033 ROHWJBCLQMAEKJ-UHFFFAOYSA-N 414.845 4.508 0 1 HJAF CCCCCCOc1ccc(-c2nc(C(=O)OCC(=O)OCCCC)co2)cc1 82074988 DLZCWKVVXNZLCN-UHFFFAOYSA-N 403.475 4.801 0 1 HJAF Cc1ccc(C)c(Cn2c(Sc3c(Cl)cccc3Cl)c(C)c(=O)[nH]c2=O)c1 84708091 GXLPZPGUGBKZFP-UHFFFAOYSA-N 421.349 4.968 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2cccnc2)c1 166826959 HMAWMGSERKTLSM-DYESRHJHSA-N 402.494 4.876 0 1 HJAF CC(C)C[C@@H](Nc1ccc2ccccc2n1)c1ccc(C(=O)NCCC(=O)O)cc1 169711319 CXWPZMBWNDCHAD-OAQYLSRUSA-N 405.498 4.639 0 1 HJAF COc1ccccc1[C@@H](c1ccc(OCCN2CCOCC2)cc1)c1cccs1 206288538 IVONOGCXVQCVJG-XMMPIXPASA-N 409.551 4.648 0 1 HJAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1Cl)N1CCc2ccccc21 299825519 YRFCVRMFETZAKU-UHFFFAOYSA-N 400.887 4.624 0 1 HJAF Cc1cc(C)cc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586989109 WTRNOJNCNWLGJY-UHFFFAOYSA-N 408.457 4.950 0 1 HJAF Fc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1Br 587004607 XUPGNHXEIZRSKX-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF Fc1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007703 POBIUHYQPCMTCB-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cnnc(O)c2[nH]1 587019376 YSSPYLMYSFCQMR-UHFFFAOYSA-N 406.298 4.815 0 1 HJAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587062258 PICUPEVCIBMSEO-SFHVURJKSA-N 421.950 4.777 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(F)c1 587145081 UJINTEXRHBSXEV-UHFFFAOYSA-N 408.360 4.880 0 1 HJAF CCCOc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br 587161753 CJNBIOKDYUOYDP-UHFFFAOYSA-N 420.282 4.825 0 1 HJAF CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587238784 FXMXGKPOEATGGV-AOSWFRPUSA-N 417.575 4.840 0 1 HJAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 587335423 WSTMHKXVTMENHS-GGAORHGYSA-N 424.811 4.748 0 1 HJAF C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356578 KFRAQUIVRUMHQC-ISKFKSNPSA-N 406.409 4.577 0 1 HJAF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1 587399640 LQCLHRVFGMQBJS-VWLOTQADSA-N 408.542 4.842 0 1 HJAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(F)(F)F 587420329 JXTQMXCCSPMZME-VLIAUNLRSA-N 408.372 4.524 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1-c1ccc(C(=O)OC)cc1)CC2=O 587488580 QBUISAYJUWMDBN-QFIPXVFZSA-N 417.461 4.900 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(CCC(=O)OC)n3ccccc13)CC2=O 587488601 QPMWJYNPZFRICV-JOCHJYFZSA-N 421.493 4.718 0 1 HJAF C[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O 587504966 JVKJOMYEPQKKLH-YUNKPMOVSA-N 400.858 4.777 0 1 HJAF COC(=O)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587532223 JSUBGLUGEMPAIA-VWLOTQADSA-N 402.446 4.854 0 1 HJAF COC(=O)c1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587547578 MLNFJQPKDWQJMN-NQIIRXRSSA-N 410.809 4.535 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC(F)F)c1 587556470 OOAIVRQNZAADBN-YLJYHZDGSA-N 402.324 4.836 0 1 HJAF Cc1cccc([C@@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587588019 IZDAWELNYMMRGC-RDGATRHJSA-N 412.445 4.638 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(F)F)N1 587718924 PCWATOMHZDRVBL-MGNBDDOMSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)cc2)N1 587745400 JQBLJNVAYIYKOP-JLCFBVMHSA-N 411.318 4.997 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587795540 YDCUQSAFRZQUTJ-QHJCOXKOSA-N 411.315 4.639 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccccc1Cl 587861924 YGMIVZBEDBGCFC-UHFFFAOYSA-N 409.795 4.983 0 1 HJAF O[C@@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@@H]([C@@H]14)[C@@H]35 621430883 HMVINQSUNXRPKR-ZLTFVPDCSA-N 410.646 4.935 0 1 HJAF CC1(C)[C@H]2CCCC[C@H]2[C@]12N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962929955 VMPNVAUKYJDDOC-FOTFPPMPSA-N 407.510 4.825 0 1 HJAF COc1ccc(C2=COc3cc(O)ccc3[C@@]23NCCc2c3sc(C)c2C)cc1 963021618 JWRITVADOUYQGT-XMMPIXPASA-N 405.519 4.902 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](c1nc(-c2ccccc2)n2ccccc12)NCC3 963061809 YFBGKPZVMUNNTR-RUZDIDTESA-N 406.489 4.793 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(C(=O)O)c1cc(Cl)ccc1Cl 963290172 VBHANOHZQWPZOW-KRWDZBQOSA-N 415.114 4.572 0 1 HJAF Cc1cc2c(cc1O)[C@H](c1ccc(SCc3ccccc3)cc1)N[C@H](C(=O)O)C2 963529767 XPSFQTHXCRJOIJ-GMAHTHKFSA-N 405.519 4.681 0 1 HJAF CCN(CC)CCCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC 1772656714 RENHWGINFATERQ-UHFFFAOYSA-N 411.498 4.675 0 1 HJAF c1ccc(Cn2cc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cn2)cc1 1857590651 OTNFTKJUZBCLNU-UHFFFAOYSA-N 402.461 4.856 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3c(F)cccc3F)cc21 1857644159 KAUVDIYMCDKFHD-UHFFFAOYSA-N 410.376 4.921 0 1 HJAF CC(C)=CCc1cccc2c3c([nH]c12)C(C)(C)[C@H]1C[C@@]24CCCCN2C[C@@]1(C3)NC4=O 2356718837 HUWKBOGWFSCPBJ-SACAOSOOSA-N 417.597 4.624 0 1 HJAF CCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 13557940 QAWWKANDXNPYDN-UHFFFAOYSA-N 404.466 4.989 0 1 HJAF CCCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)no1 26390183 RDWSXAPXVAUEMH-UHFFFAOYSA-N 403.873 4.879 0 1 HJAF O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4)cc3)nc2c1 28524764 CKRVUPLQDUDGGP-UUILKARUSA-N 416.408 4.913 0 1 HJAF Cc1cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)nc(NCc2ccccc2C)n1 45201988 BTPPWRSXMXNZRQ-NRFANRHFSA-N 409.578 4.591 0 1 HJAF C[C@H]1CCCN(c2ccc(Cl)cc2[C@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)C1 58519364 GNZNTVYPOYQFEC-HOTGVXAUSA-N 414.933 4.694 0 1 HJAF CCOCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66111575 XWZOIZOURSGWHF-UHFFFAOYSA-N 420.292 4.624 0 1 HJAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1 73199458 UFAKMIWCIDFDLC-UHFFFAOYSA-N 421.341 4.804 0 1 HJAF CC(C)(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82184747 WZRXZMBIRUZALS-UHFFFAOYSA-N 418.520 4.804 0 1 HJAF COc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1 116763609 KOGNAKNQFRTYKA-UHFFFAOYSA-N 413.271 4.684 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@@]21C 169323963 LGKOHXBHQYUHPI-IXGPGGTISA-N 404.595 4.554 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 169370118 KFZWDYQMBIYWFQ-ZMSCREDJSA-N 402.623 4.769 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4cc5c(cn4)CNCC5)nc32)CC1 261157021 QCXIUEONPAEKGB-RZDIXWSQSA-N 413.529 4.515 0 1 HJAF CO[C@H](c1ccccc1)c1c(S(=O)(=O)C(F)(F)F)[nH]c2ccc(Cl)cc12 299824219 AVVKGLGNOIVEEN-OAHLLOKOSA-N 403.809 4.851 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)cc1 586886786 QJUQSZWXYVWKNS-IKGGRYGDSA-N 402.450 4.781 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccccc5O)CC4)[nH]c3c2)cc1 586896943 MLKKHSWJYKCWHT-UHFFFAOYSA-N 400.434 4.927 0 1 HJAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(F)cnc(Br)c2[nH]1 587011309 JIWMPKIBWGKIOX-UHFFFAOYSA-N 403.280 4.882 0 1 HJAF COc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Cl 587018896 BKGBFANYMRHCAW-UHFFFAOYSA-N 404.904 4.586 0 1 HJAF CCCCCOc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br 587088126 RZKUJXRQWKCUGG-UHFFFAOYSA-N 410.703 4.587 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(Br)c2[nH]1 587167149 OAOSXNYKTOIAKB-HNNXBMFYSA-N 403.255 4.834 0 1 HJAF FC(F)(F)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cn1 587182320 HNNGKZAOXGTLAL-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1[C@@H](O)C[C@@H]2O 587215943 PYVFBNGXFDWSEC-LLXRIMOZSA-N 415.577 4.847 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239643 MLTGZHBISKJBSM-LBBIBPJZSA-N 423.916 4.910 0 1 HJAF COC(=O)c1cc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c(F)c1Nc1ccccc1 587249549 OCUVNWBGOJQIBP-UHFFFAOYSA-N 420.444 4.798 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc4c(c32)CCO4)[C@@H]1c1ccc(F)cc1 587361559 ZJJYEJKLXNXZIQ-NOZRDPDXSA-N 402.421 4.667 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(C)(C)c3c1[nH]c1ccc(C(=O)O)cc31)O2 587395653 DOWBJCGTHCVQOM-DEOSSOPVSA-N 404.466 4.689 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O 587427289 CXLMFCHJNGJBCS-SXRVJJPDSA-N 413.517 4.859 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3cc(C)c(Br)cn13)CC2=O 587458886 LVVXQRWUCQJKDX-GOSISDBHSA-N 415.287 4.770 0 1 HJAF C[C@@]1(c2c(Cl)ccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551136 DRKRKXBNUHYQGU-JXFKEZNVSA-N 402.233 4.971 0 1 HJAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F 587556894 PHDSDPVEGZDBTF-UWJYYQICSA-N 414.360 4.705 0 1 HJAF COc1c(F)cc(F)cc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559871 ZXFGVWSVDGNOMP-UYAOXDASSA-N 412.388 4.642 0 1 HJAF COc1cccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575227 DWNRWRVTVZCEMY-DHLKQENFSA-N 413.429 4.894 0 1 HJAF CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 587592561 AGOUUMQQCWBNKL-RDGATRHJSA-N 402.446 4.983 0 1 HJAF COc1ccc2c(c1OC)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599553 GPGBLXLQKZVANV-BWKNWUBXSA-N 418.445 4.603 0 1 HJAF COc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)ccn1 587627515 ABLPSCDNYJUSGT-UHFFFAOYSA-N 418.293 4.903 0 1 HJAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651597 BJPOYHJYZAIVET-OAHLLOKOSA-N 404.853 4.825 0 1 HJAF Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1 587754827 NBNVDYIGKNTMAY-FKIZINRSSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CN2CCCC2)N1 587766005 LVGDEPNNVRGUIC-QKKBWIMNSA-N 403.339 4.808 0 1 HJAF CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C 587772098 VBGKBSRIZOCWCL-FVINQWEUSA-N 405.311 4.600 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587796600 QFRVFJWSTUJSNR-FIKIJFGZSA-N 417.322 4.616 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2ccc(C)cc2)nn1 587868919 XAWLVEZUTSNELY-UHFFFAOYSA-N 411.387 4.727 0 1 HJAF CCc1ccc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(F)c1F 963175431 BOMANTHEOQPHHY-SJKOYZFVSA-N 419.777 4.888 0 1 HJAF CCc1nnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc3ccccc3n12 1772612046 JIRHHQMJYYCLKV-UHFFFAOYSA-N 418.501 4.608 0 1 HJAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C=CC(C)(C)O)O[C@H]3[C@H]2[C@H](CC[C@H]2C)[C@@H]1C 2356557857 DWFVTYSPFRBHTG-DFBRLTRISA-N 410.510 4.887 0 1 HJAF C[C@H]1CC[C@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@@]43C)O2)OC1 2356724876 BUJRXUZHQCDNJY-ALOBLOHNSA-N 418.618 4.519 0 1 HJAF CC(C)c1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61928735 LXPFILVQTZVWAX-QFIPXVFZSA-N 402.450 4.543 0 3 HJAF CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F 600753 XKSNSSNGFIQSFK-UHFFFAOYSA-N 412.408 4.798 0 1 HJAF C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H](O)[C@H]1C)O[C@@H]1[C@H]3C1(C)C 6499571 NDJILOHYAHLIPO-CTKLGVQLSA-N 404.462 4.795 0 1 HJAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@H](C(C)=O)C(=O)OCC)O1 7992322 DKKHEPSSWBSDPM-VXKWHMMOSA-N 404.503 4.855 0 1 HJAF CCCCC1=NC2(CCCC2)C(=O)N1Cc1cc(OC)c(OC)cc1Br 28867641 BLWBCYSXCOJFMJ-UHFFFAOYSA-N 423.351 4.710 0 1 HJAF COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1 40914922 AOUMXCXOJGAKLX-UHFFFAOYSA-N 403.467 4.995 0 1 HJAF COc1ccc(-c2ccc3ncnc(N(C)Cc4csc(C)n4)c3c2)cc1OC 64700399 SCIAOENBZDAWDE-UHFFFAOYSA-N 406.511 4.715 0 1 HJAF COc1cc(-c2cn(Cc3ccc4ccsc4c3)nn2)ccc1-n1cnc(C)c1 72116498 SQOACHMJUROJDQ-UHFFFAOYSA-N 401.495 4.711 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc(F)cc3)n2)o1 82140518 UZEVXFRHKJKYCG-UHFFFAOYSA-N 408.477 4.668 0 1 HJAF C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2C[C@@H]1CCCO1)c1ccccc1 82188436 NYDQVUGTZXKAIO-AEFFLSMTSA-N 419.554 4.949 0 1 HJAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Br)c1 95575968 PNYUJDPEJABEEX-UHFFFAOYSA-N 411.299 4.913 0 1 HJAF CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3cccs3)ccc1-2 98085591 OOAXMNBBGAIJCT-KRWDZBQOSA-N 421.522 4.847 0 1 HJAF COc1cccc(-c2c(S(=O)(=O)c3cccc(C#N)c3)cnc3cc(F)ccc23)c1 115922707 VJTUBYDBYHTGLP-UHFFFAOYSA-N 418.449 4.754 0 1 HJAF COc1ccc([C@H]2CCCn3c(-c4ccc(-c5cnc(C)o5)c(OC)c4)nnc32)cc1 140517841 VBPWNUSUPNODGC-LJQANCHMSA-N 416.481 4.851 0 1 HJAF CC[C@H](C)C(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 165908874 ISGVOILXCPQWBH-SFHVURJKSA-N 421.541 4.650 0 1 HJAF COc1ccc(-c2n[nH]c3c2[C@@H](C2CCCCC2)N(Cc2cc(C)on2)C3=O)cc1 169696931 OKAAPLDBZGJDAG-JOCHJYFZSA-N 406.486 4.659 0 1 HJAF COc1ccc(F)c(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1 169708755 JJDMMVKGGCIWNE-VHNLKAGOSA-N 421.516 4.617 0 1 HJAF O[C@@H](COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1 218390449 QSDHTODUGJZFTK-RUZDIDTESA-N 410.517 4.700 0 1 HJAF Cc1cc(-c2ccc(OCC(C)(C)C(=O)O)nc2)ccc1-c1ncc(C(F)(F)F)[nH]1 218550706 YFNWPIYCYMIGNV-UHFFFAOYSA-N 419.403 4.956 0 1 HJAF O=C(Cc1ccc(-c2ccc3nccn3c2)cc1)Nc1cccc(Br)c1 299830819 PKYRHYGCBTWALP-UHFFFAOYSA-N 406.283 4.945 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299881721 OMPXNOQDDACFGT-RCVZYCBYSA-N 424.944 4.913 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586962980 VWUFVEMRLHSLNK-SSDOTTSWSA-N 419.226 4.867 0 1 HJAF Cc1nc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1Br 586978872 AQGACOKHXRZQHR-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF CCOC(=O)c1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 586989203 BEAGLAZBLZZDPV-UHFFFAOYSA-N 409.441 4.919 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc1-2 587073304 FRPFTHYPJJBZMC-NSHDSACASA-N 416.234 4.967 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(Br)c2[nH]1 587198677 PFQNFYXXYXISKY-UHFFFAOYSA-N 421.298 4.851 0 1 HJAF COc1cc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587501719 CQDWHCCSXYRHJC-HSZRJFAPSA-N 414.885 4.953 0 1 HJAF COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523197 NYVKZTYFACFIBX-RUZDIDTESA-N 408.494 4.776 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ccc1Br 587538432 DUVAIRWNDUJAGA-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF Nc1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575510 CNLGUMQFZWELJX-BVAGGSTKSA-N 409.441 4.880 0 1 HJAF COc1ccc([C@@H]2C[C@]3(CCO2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587615765 HEWCXOJZIWDAJQ-FBLLAGFSSA-N 418.445 4.653 0 1 HJAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1 587650544 NGAMGEJDHOGXCY-CQSZACIVSA-N 414.527 4.824 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(F)c2)N1 587734242 UNYXPZLOIJIVNB-WYRIXSBYSA-N 409.274 4.506 0 1 HJAF Cc1ccc([C@]2(c3occc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587748859 ZAPQGSOIKBOPPN-ZSEKCTLFSA-N 415.306 4.898 0 1 HJAF CCn1ccnc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587751627 AARQREONYWGSMB-SZNDQCEHSA-N 414.322 4.631 0 1 HJAF COc1ccc2c(c1)C=C([C@@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)CO2 587832768 CQECCCRKIPRCKS-XUSGNXJCSA-N 418.306 4.822 0 1 HJAF Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3NCCc4c3c(C(C)C)nn4C)n2c1 962905493 FENQMKCAFXNSMA-QHCPKHFHSA-N 421.495 4.680 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@]2(c3c(F)cccc3C[C@@H]3CCCN32)C12CCCC2 963113376 UKLUSESPQOZWDA-UUOWRZLLSA-N 400.538 4.995 0 1 HJAF CC(C)(C)c1nnc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1 1857602298 WUONMFPURHMQTJ-QGZVFWFLSA-N 424.455 4.697 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc4c(c3)CCC4)cc21 1857633273 ZMUIWKSDUAMTTO-UHFFFAOYSA-N 415.449 4.527 0 1 HJAF CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc2cc(OC)ccc2[nH]c1=O 1857771967 VVPUXOCQSADNMV-NRFANRHFSA-N 416.414 4.914 0 1 HJAF CCCC[C@H](Cc1cc[nH]c1)[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356605377 DMRFSFVXJMWROZ-NFBKMPQASA-N 415.530 4.602 0 1 HJAF CC(=O)N1CCN(c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 36380259 CYKCTGVVMSJCEN-UHFFFAOYSA-N 409.917 4.881 0 3 HJAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@H]12 205206920 HXOGLFWIGUZTIJ-GOTSBHOMSA-N 411.505 4.529 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1c(F)cccc1Cl 4296635 XWRXBQYMWMTQQZ-TZIWHRDSSA-N 418.896 4.886 0 1 HJAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCSC)[nH]c(=O)c12 13585140 WULGLODRSDXXSZ-UHFFFAOYSA-N 417.749 4.537 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@@]21C 26395647 LGKOHXBHQYUHPI-KQTHGUNBSA-N 404.595 4.554 0 1 HJAF CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)C 26652321 XFDGPYVXJCRQFZ-OHCFRWENSA-N 418.666 4.820 0 1 HJAF COC(=O)c1ccc(NC(=O)c2cnc3c(n2)C(C)(C)CCC3(C)C)cc1Cl 26833089 XIIBKTBVZUVQDD-UHFFFAOYSA-N 401.894 4.518 0 1 HJAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccn3)nc2n1 27411928 MYDBSLJUCGZZPQ-UHFFFAOYSA-N 410.264 4.954 0 1 HJAF CN(C)c1ccc([C@H]2CC(=O)N(C)[C@H]2[C@@H](O)c2ccc(-c3ccccc3)s2)cc1 28468743 MJQYHWUMNXYRHN-FOVJLYNBSA-N 406.551 4.529 0 1 HJAF Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Cl)c(Cl)c2)o1 28570995 ZVOCXKULCIMARG-UHFFFAOYSA-N 416.272 4.528 0 1 HJAF C[C@@H]([C@@H](O)c1ccc(O)c(-c2ccccc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952053 GOVLPBZWZKQMJJ-AVRWGWEMSA-N 421.512 4.604 0 1 HJAF CC(=O)OCC/C(=C\C[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C)COC(C)=O 36378807 HZUXQKOBUGELTE-JZNYHVPGSA-N 408.579 4.813 0 1 HJAF O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 49037294 RAIOYVPQUQHIOE-UHFFFAOYSA-N 423.516 4.823 0 1 HJAF CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1 63539194 FTKWFHKMPQIDLM-UHFFFAOYSA-N 409.437 4.549 0 1 HJAF O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1 64512239 KPTZGFDAYXZNMA-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 95593123 ATALOGFLLWJSLP-UHFFFAOYSA-N 414.343 4.714 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175161 ZJLWNINUSNAVBA-SUMWQHHRSA-N 421.349 4.667 0 1 HJAF COc1cccc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1F 169708745 MUPBWXCOUHZWEH-VHNLKAGOSA-N 421.516 4.617 0 1 HJAF CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1C=C[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@@]321 299873158 ZXHLDNILIVGKPC-GGAWCMKWSA-N 422.521 4.795 0 1 HJAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)c1 587049938 NREZWHUJMTYODE-UHFFFAOYSA-N 412.854 4.610 0 1 HJAF CN(C)CCOc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067648 JBJPJDCLDQSUDT-UHFFFAOYSA-N 421.928 4.983 0 1 HJAF Cc1ccc2c3c(cc([C@@H]4C(=O)c5ccccc5N(C)C4=O)nc13)-c1ccccc1C2=O 587096682 JMPWKUQKLOLEPR-HSZRJFAPSA-N 418.452 4.698 0 1 HJAF Fc1ccc(S)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 587140402 GMUHTVDJWDRDFA-UHFFFAOYSA-N 403.074 4.578 0 1 HJAF O=C1c2ccc(O)cc2OC2(c3ncccc3-c3cccnc32)[C@@H]1c1ccc(F)cc1 587343428 BWVZKRWKVAUIAK-OAQYLSRUSA-N 410.404 4.604 0 1 HJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347210 TZIXDVIKDGVNJR-PLRSXRBSSA-N 409.501 4.913 0 1 HJAF CCC[C@]1([C@@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349890 QPYNOWFKNOBXGB-IUZBSBKLSA-N 400.446 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCO4)(c1ccccc1Cl)[C@@H](C2)C3=O 587417322 BYJLQWZJFXWUOO-DFBJGRDBSA-N 418.876 4.975 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)C[C@H](c1ccccc1)CC4)[C@@H](C2)C3=O 587451078 HUSQCTPNVHVVRK-BKTORNKPSA-N 403.503 4.913 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(N3CCCC3)nc1Cl)CC2=O 587462143 PJNNVTRXFQCLKU-HNNXBMFYSA-N 422.312 4.748 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)cc1Cl 587541538 FLYVWVBIEGJKJA-NFBKMPQASA-N 418.836 4.934 0 1 HJAF CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C[C@H]1C 587582650 MFRKBSSERDOMBL-FTPHCPBZSA-N 401.462 4.866 0 1 HJAF COC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621934 PVBQTLPCVPJRHZ-UHFFFAOYSA-N 404.651 4.914 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(F)c3)c2)N1 587735569 XUBPXPMPARBCHC-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 587755409 PGLSMZDRVJJONO-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3)CC2)N1 587765061 BPEMTMBBJHIBOV-HNNXBMFYSA-N 403.339 4.614 0 1 HJAF Brc1cc2[nH]c(CCOCC3CC3)nc2cc1OCc1ccccc1 587784671 UKSZKEDASREWON-UHFFFAOYSA-N 401.304 4.874 0 1 HJAF CCNc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1 653665220 BQRFDZQRKCARHX-HNNXBMFYSA-N 417.509 4.882 0 1 HJAF Cc1cc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1 653665413 XRVJLABYRVRSQH-UHFFFAOYSA-N 409.484 4.645 0 1 HJAF CC1=C[C@]2(c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@@H](C(C)C)CC1 963135236 DQHLOFWXOSWZEE-IVZHQMGZSA-N 406.548 4.597 0 1 HJAF C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(CCN)cc3)ccc2Cl)c1 1857584222 OPPORAPDJMQHCS-UHFFFAOYSA-N 408.889 4.897 0 1 HJAF CN(C)C(=O)c1ccc(OCCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1857645747 FLPUGHUWODGVBF-UHFFFAOYSA-N 418.578 4.975 0 1 HJAF O=c1c2ccc(F)cc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12 1857761461 KOWZZWZCSJUIGO-UHFFFAOYSA-N 420.421 4.856 0 1 HJAF CC(=O)Oc1cc2c(cc1C(C)C)[C@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C 2356674081 UDSKICOBWGFUCN-GRSYGWAWSA-N 402.531 4.798 0 1 HJAF CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4[C@@H]1[C@@H]23 2356777472 WRBXVJKFKHACHK-YUGRTFRZSA-N 420.461 4.878 0 1 HJAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccsc1 775153 RDAVIUKVAQZHSA-KRWDZBQOSA-N 422.481 4.543 0 1 HJAF COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2)cc(OC)c1 775817 OXIOAPWOMYKGFI-UHFFFAOYSA-N 408.498 4.629 0 1 HJAF CC1(C)CC(=O)C(C(c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 4644649 UOJSWZHNAAWQFN-UHFFFAOYSA-N 402.918 4.572 0 1 HJAF COc1ccc(-n2c(/C=C\c3ccccc3F)nc3ccccc3c2=O)cc1OC 4659611 JLQNMXYHJTWDDI-KAMYIIQDSA-N 402.425 4.712 0 1 HJAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NC2CCCC2)C1 5056201 WFQITAPFNPVJKX-QGZVFWFLSA-N 401.938 4.574 0 1 HJAF O=C1NCN(c2ccc(Cl)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 13981795 KABKYYFLUWTYIC-GOTSBHOMSA-N 423.988 4.795 0 1 HJAF CC(C)N1CCC(COC[C@H](NC(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1 28957708 RWKRYRTZLQALQJ-VWLOTQADSA-N 419.569 4.776 0 1 HJAF O=S(=O)(/C=C/c1ccccc1)NCCCCNc1ccnc2cc(Cl)ccc12 35190789 HVDDAAZVYFBWSA-RVDMUPIBSA-N 415.946 4.671 0 1 HJAF CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(C)cc1 40723588 RWKYJDUJSPOUQG-AWWBVYDFSA-N 408.567 4.554 0 1 HJAF CC(C)c1noc(C2CCN([C@H](C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1 40863389 YXWWRPHSVBRJJH-GCJKJVERSA-N 424.589 4.809 0 1 HJAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1cccc(C(F)(F)F)c1 66139573 LRKKMAAVPZGDIY-GOSISDBHSA-N 420.456 4.584 0 1 HJAF CC1(C)Oc2cc(OC(=O)c3cccc(OCc4ccccc4)c3)ccc2C[C@H]1O 72176928 ZSGVMVIWRAXHPV-HSZRJFAPSA-N 404.462 4.559 0 1 HJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1 72181291 AFIBQAJPKHFDSS-UHFFFAOYSA-N 410.464 4.953 0 1 HJAF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 82165052 CREOYIUCYVSSAM-UHFFFAOYSA-N 404.445 4.909 0 1 HJAF Cn1c(C(=O)O)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc21 103248344 VZEKRYBNAKTFQR-UHFFFAOYSA-N 406.526 4.948 0 1 HJAF CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccc(C)cc1 253674273 RWKYJDUJSPOUQG-XSUKKPJJSA-N 408.567 4.554 0 1 HJAF COc1cccc2c1CCC[C@H]2CCC(=O)N1CCC2(CC1)OCc1ccccc12 299831192 IYVASUUKCLZLER-IBGZPJMESA-N 405.538 4.943 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4cccc(C(F)(F)F)c4[nH]3)n2C)cc1 586965682 VDGSQYBZSTVYIH-UHFFFAOYSA-N 403.433 4.978 0 1 HJAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Br 586978220 ZFDJQCSQBQVPSJ-HYXAFXHYSA-N 409.186 4.826 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)c(F)cc3[nH]2)c1 587049549 QUALVTPEYCJYMJ-UHFFFAOYSA-N 416.884 4.974 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(F)c(F)c3[nH]2)c1 587050270 XKHYLZGIHGKHPQ-UHFFFAOYSA-N 420.847 4.804 0 1 HJAF Clc1cnn(COc2cccc(-c3nc4cccc(Br)c4[nH]3)c2)c1 587083061 ZTHWAAVVXSBTBL-UHFFFAOYSA-N 403.667 4.879 0 1 HJAF Cc1ccc2c3c(c(CC(=O)O)c(CC(=O)c4ccccc4)nc13)-c1ccccc1C2=O 587101502 UMFHMIAYLGCSJC-UHFFFAOYSA-N 421.452 4.807 0 1 HJAF Oc1nc2cc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2[nH]1 587110787 KHDBNROFCWGIRM-UHFFFAOYSA-N 414.309 4.968 0 1 HJAF COCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331459 HCCVERLAMSGHHT-VWNXMTODSA-N 410.416 4.961 0 1 HJAF CCCCOC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343963 ARNGSWOVXFPJLV-FYYLOGMGSA-N 400.446 4.772 0 1 HJAF O=C1c2ccc(O)cc2OC(c2nccs2)(c2nccs2)[C@H]1c1ccc(F)cc1 587371314 BWRJKRWKEGTIJO-KRWDZBQOSA-N 424.478 4.747 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(Br)cc41)[C@@H](C2)C3=O 587416632 DRJLNPRQKCYKJP-AOMKIAJQSA-N 424.294 4.918 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(OCC)c1O)CC2=O 587458324 RVXSWFHRBYYGIZ-QGZVFWFLSA-N 421.287 4.918 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1N)(c1ccccc1C(=O)O)CC2=O 587468103 ARCSESIGNNIIQT-VWLOTQADSA-N 417.461 4.534 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)CC2=O 587485701 JZLKHTWRCBZSLE-DYLHXGEVSA-N 405.538 4.981 0 1 HJAF O=C1C[C@]2(CCN(C(=O)OCc3ccccc3)C[C@H]2F)Oc2c1ccc1c2CCCC1 587510920 ZBPBNHSHYWNXNH-RDGATRHJSA-N 423.484 4.650 0 1 HJAF C[C@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543419 BSDGVVZYJRKOPJ-UZLBHIALSA-N 402.233 4.971 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cccc(F)c1 587569240 HCWBSZBCJZZFNZ-AUSIDOKSSA-N 402.381 4.624 0 1 HJAF CC(C)[C@@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576415 GWBOPSIJKHUATL-WIOPSUGQSA-N 403.478 4.964 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC(F)F)c2)N1 587722725 ZNECVHQENMRGOL-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF Cc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587756763 FJIRQRXEUSTMJM-ZUOKHONESA-N 400.295 4.706 0 1 HJAF 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COc1cc(C)ccc1[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959770 QIWYTAAENOOIOV-OAQYLSRUSA-N 405.460 4.937 0 1 HJAF CC(=O)[C@@]1(c2ccc(Cl)cc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962963622 WESHBXUXXJMRRF-NRFANRHFSA-N 423.862 4.843 0 1 HJAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)n1cc[n+](C)c1)C(C)(C)C)C(C)(C)C 1857566737 BEBGZMBAAKJZSE-SJORKVTESA-N 404.512 4.502 0 1 HJAF CCc1ccc(NC(=O)c2cccc(/C=C3\CC(=O)N(c4ccccc4)C3=O)c2)cc1 1857607082 JFHUMVTWNJKBKK-LTGZKZEYSA-N 410.473 4.848 0 1 HJAF C[C@@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 2356617438 CLXMWZDXOUCURE-MRXNPFEDSA-N 408.473 4.629 0 1 HJAF CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](C2CCCCC2)[C@H]1CCCO 13656809 BJINHEAAANHNQG-PQNGQFLHSA-N 407.595 4.641 0 3 HJAF CC(C)C[C@@H]1NC(=O)c2ccc(Cl)cc2-n2c1nc1ccc(Cl)cc1c2=O 61949379 BSFJGSGLRRUGGM-INIZCTEOSA-N 402.281 4.523 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OCC 4055244 RSWXCADRIMFGBY-PZJWPPBQSA-N 400.906 4.747 0 1 HJAF CC(C)(C)OC(=O)N1[C@H](C(=O)c2c[nH]c3ccccc23)CS[C@@H]1c1cccnc1 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412.961 4.891 0 1 HJAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccccc1C 103531305 CJAKEMCJXUNAMS-LAFOYAEKSA-N 421.526 4.775 0 1 HJAF CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4ccc5c(c4O[C@@H]32)C[C@@H](O)C(C)(C)O5)O1 143419804 DQPCIMDIDNEPQW-WGGBDISSSA-N 406.478 4.555 0 1 HJAF Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(C4(O)CCC4)ccc3Cl)nnc12 145744914 RRPOHESBIMXJJV-UHFFFAOYSA-N 407.905 4.796 0 1 HJAF COc1cc(-c2cncn2C)ccc1Nc1cc2cc(-c3cnn(C)c3)ccc2cn1 207742735 ZUEVFYBYSKNJKB-UHFFFAOYSA-N 410.481 4.788 0 1 HJAF COc1ccc2c(c1[C@H]1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1)OCO2 223040005 PMZLCLZIRUBMCX-OAHLLOKOSA-N 423.387 4.576 0 1 HJAF CC(C)=CCC/C(C)=C\[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3C[C@H](O)C(C)=C[C@H]3O2)O1 238784048 GYVVQYFUUGEIMA-WRSQSCPKSA-N 400.559 4.755 0 1 HJAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 473136135 XYYAWEJOUNEPTR-UXHICEINSA-N 415.489 4.774 0 1 HJAF CSc1sc(-c2nc3c(Cl)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919695 DWCFBBXZWPSYBE-UHFFFAOYSA-N 422.384 4.897 0 1 HJAF CC(=O)N[C@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)c1ccc(Br)cc1 586986498 YBQBHGANNFGONX-OAHLLOKOSA-N 406.711 4.707 0 1 HJAF O=S(=O)(c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1)C(F)(F)F 587023373 JVTOTIUWMWSIMO-UHFFFAOYSA-N 409.414 4.647 0 1 HJAF COC(=O)c1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023634 NOFRGLIRRPMJDZ-UHFFFAOYSA-N 414.284 4.903 0 1 HJAF Nc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)sc2cc(Br)ccc12 587030746 HUXPWTFOKHHTHC-UHFFFAOYSA-N 402.273 4.561 0 1 HJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)c21 587031788 AWMWYNBVVDPGJN-LBPRGKRZSA-N 413.524 4.769 0 1 HJAF C[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1nc(C(F)F)c(Cl)c1C(F)F 587129339 IGDKBCKMMLBDCB-LURJTMIESA-N 404.751 4.669 0 1 HJAF C[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172230 DOOSHGYOSZJOIJ-KRWDZBQOSA-N 409.642 4.746 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353283 MTNOJCCCFFVKIA-UPVQGACJSA-N 424.424 4.640 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCNC(=O)OC(C)(C)C)(c1ccccc1)O2 587388096 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Cc1cc(C)c2c(N)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)oc2n1 587747367 PZMKRPXYHJHYKP-GIPWTMENSA-N 418.310 4.726 0 1 HJAF Cc1cccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587760968 RMCXOQSHSLTPLT-RNODOKPDSA-N 400.295 4.706 0 1 HJAF COC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587803882 CICJFYWBKNUJEI-BUXKBTBVSA-N 406.295 4.583 0 1 HJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587836848 XWYWPYJFRVCWDF-LRTDBIEQSA-N 420.322 4.937 0 1 HJAF CC(C)(C)c1ccc2c(c1)[C@]1(C(=O)N2)c2ccsc2CCN1Cc1cccnc1 962999978 SVRHPIGQFPONDU-DEOSSOPVSA-N 403.551 4.695 0 1 HJAF CCOC(=O)CC[C@]1(c2ccc(F)cc2)c2cccc(Br)c2CCN1C 963282813 YAIRDQGMJYEPNZ-NRFANRHFSA-N 420.322 4.663 0 1 HJAF COc1cc(F)ccc1-c1cc([C@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 1772657127 BEIARNAEALSWTK-INIZCTEOSA-N 424.350 4.818 0 1 HJAF COc1ccc2cc1Oc1cc(ccc1OC)CC[C@@H](N1CCN(C)CC1)CCCC2 1857614406 LXDUUMZDIJIMSU-QFIPXVFZSA-N 424.585 4.771 0 1 HJAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC4CCOCC4)C=C3C)[nH]c2c1 2356495812 FYGAUIAPKRTUJC-JQVVWYNYSA-N 411.590 4.737 0 1 HJAF C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccc(OC(F)(F)F)cc1 61929629 AYTVLLSRJGIDCY-OAQYLSRUSA-N 415.415 4.737 0 3 HJAF CC(=O)c1cc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2)c(=O)n2c1CCC2 203460931 JNNJSDBUFVOXIK-UHFFFAOYSA-N 424.456 4.578 0 3 HJAF CC1(C)C=Cc2c(c3c(c4c2O[C@H](c2ccccc2)[C@@H](O)C4=O)OC(C)(C)C=C3)O1 13462588 ZZNMWGVMOBOREI-VQTJNVASSA-N 404.462 4.732 0 1 HJAF biogenic,in-vitro Cn1c(Br)cc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 13743573 LQGJOUJCLYWGNV-UHFFFAOYSA-N 408.292 4.664 0 1 HJAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 13758012 QDPVGLNUJIYJDL-QHCPKHFHSA-N 400.478 4.721 0 1 HJAF COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4cccc(C)c4)o3)cn(C3CC3)c12 64560510 JQCLDPFEQHMGLT-UHFFFAOYSA-N 424.407 4.725 0 1 HJAF COc1cc(C(F)(F)F)ccc1[C@H]1CCN(Cc2nc3ncccc3n2C)C[C@H]1C 71330142 XTGROMAGIGWBCC-ZBFHGGJFSA-N 418.463 4.621 0 1 HJAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCC2CCCCC2)C(C)C)co1 82070345 LJZQEZGTKRWYNZ-OAQYLSRUSA-N 412.530 4.918 0 1 HJAF CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc(C)c2)n1 82216844 JSLUBSOJHOOOEP-UHFFFAOYSA-N 402.542 4.959 0 1 HJAF COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1 100705649 RFWQOZUWQBMPAJ-LLVKDONJSA-N 413.886 4.538 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)c(F)c3)cnc3c(F)cccc23)CC1 144227221 QUWOXHZGTMWATF-UHFFFAOYSA-N 420.456 4.721 0 1 HJAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)c(Cl)[nH]1 219077412 UROMHARKWFLKDW-UHFFFAOYSA-N 404.901 4.767 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@@H]1CCCO1 261111506 IDWFBPRPZDTKJU-OWHZGTRUSA-N 424.585 4.856 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299875563 DDDZTNYHZSHMGG-JMJGKCIBSA-N 416.562 4.519 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(CO)cc4[nH]3)c(=O)oc2c1C 586918178 LOMGOQGIJLXBKA-UHFFFAOYSA-N 418.493 4.714 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)c1C 586947918 CNWHGDQKMPGTGN-UHFFFAOYSA-N 417.494 4.524 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@H]3Cc4ccccc4S3)nc12 587044061 YHVRCJQBCXTACY-SNVBAGLBSA-N 411.122 4.872 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587167468 NQGJZACEIWQXQA-AWEZNQCLSA-N 408.355 4.970 0 1 HJAF C[C@]1(c2ncc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329785 DJHBDLXWAITPCU-NQIIRXRSSA-N 401.796 4.993 0 1 HJAF COC(=O)c1cccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587400578 RATFGMWLZKIZJL-HSZRJFAPSA-N 417.461 4.649 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N1CCCC1)[C@@H](C2)C3=O 587411525 DAPOEVCDCSSGAN-QKKBWIMNSA-N 414.299 4.547 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587419519 GNYGRFUJCRUKHJ-ORAYPTAESA-N 416.861 4.579 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1c(Br)ccc(Cl)c1F)[C@@H](C2)C3=O 587427360 SYIDMAAQZNQAMO-XTZNXHDOSA-N 411.654 4.913 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)O)(c2cccc(Cl)c2)C1 587462664 PTNZTGGWLKIZLG-UHFFFAOYSA-N 400.858 4.519 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nn(C(=O)OC(C)(C)C)c3ncccc13)CC2=O 587475736 OKMOAVIRJVSHBF-GOSISDBHSA-N 423.469 4.579 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(C)[nH]c3ccccc13)CC2=O 587482627 JUDBONPATBKESB-DEOSSOPVSA-N 407.466 4.558 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C1 587518702 NQKDGQVUTAEQQT-RPPIVITFSA-N 411.542 4.936 0 1 HJAF Cc1ccc(O)c(C(=O)c2c(-c3cccc(F)c3)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650306 RKZZCUNWWYCFQG-UHFFFAOYSA-N 423.465 4.623 0 1 HJAF O=C(c1cc2c(s1)CCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656659 IBZIEYKVBDMJMF-UHFFFAOYSA-N 422.456 4.971 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(F)F)N1 587719649 QYKJMDQLBGHNTK-MGNBDDOMSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2-c2ccccc2)N1 587755882 BGVXZFDSFYJYKV-RNODOKPDSA-N 400.295 4.572 0 1 HJAF COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803387 AEEZWFLIUPAVQH-QKKBWIMNSA-N 420.322 4.628 0 1 HJAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805520 HHIOCTOOOOLISO-HKZYLEAXSA-N 420.322 4.685 0 1 HJAF O=C(/C=C/C(F)(F)F)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 621478510 WSITYACTBFTIRE-BQYQJAHWSA-N 417.214 4.980 0 1 HJAF Fc1ccc([C@@]2(c3ncco3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1F 962715017 SGXSSNJXASAXFG-QRQCRPRQSA-N 416.468 4.747 0 1 HJAF Cc1oc2c(c1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)C(=O)CC(C)(C)C2 962765864 NTOAKDSMORSQQR-IVZQSRNASA-N 419.443 4.652 0 1 HJAF COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(N(C)C)cc4)ccc3[nH]2)c1 13111147 NGOHFZIFIFSACZ-UHFFFAOYSA-N 413.477 4.522 0 3 HJAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 774704 IZKCRBFIYAZJKA-LBPRGKRZSA-N 423.271 4.955 0 1 HJAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 3955421 UANURUBKTIWZMW-ZIEQLJQBSA-N 409.501 4.876 0 1 HJAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 13444598 SPQNXJVWMXXMNU-UHFFFAOYSA-N 422.569 4.677 0 1 HJAF COc1cc(Cl)ccc1N1CCN(CC[C@@H](O)c2csc3ccccc23)CC1 13861808 RTHNQOOZIMUOPA-HXUWFJFHSA-N 416.974 4.809 0 1 HJAF C[C@]1(C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 28826124 BGJFZAXJWZHLTP-DHIUTWEWSA-N 415.455 4.979 0 1 HJAF COc1ccc([C@@H]2CC3(N4CCCC4)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1 34545104 ZBBZNPAJOIYFLP-ANBAMDCGSA-N 405.538 4.789 0 1 HJAF CC(=O)N1CCc2cc(-c3nc(NC(=O)c4c(F)cccc4F)sc3C)ccc21 35312751 PFVKDWAJOUQIHR-UHFFFAOYSA-N 413.449 4.558 0 1 HJAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc([C@@H](C)N(C)O)nc12 36268624 IAUVQCNEDYDUSQ-SNVBAGLBSA-N 421.284 4.580 0 1 HJAF CCOC(=O)c1c(NC(=O)CNCc2ccccc2)sc(-c2ccccc2)c1C 45244978 WSVPKNKTGFVDHZ-UHFFFAOYSA-N 408.523 4.629 0 1 HJAF Clc1cccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)c1 82181391 ADTHMLKSMDRCBU-UHFFFAOYSA-N 404.905 4.607 0 1 HJAF C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1)c1ccccc1 82188173 GYHSJQJQIUOBFP-SFHVURJKSA-N 424.508 4.940 0 1 HJAF Cc1c(N(CCC2CC2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12 115232447 SHONEEVOUSDJDH-UHFFFAOYSA-N 415.536 4.903 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCC4)C[C@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 169365683 HWQISLZWCOZLRA-SXKBUZGKSA-N 407.554 4.580 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](c3ccccc3)CO2)cc1 474609604 RALPPESOHBXWNC-OAQYLSRUSA-N 403.507 4.882 0 1 HJAF COC(=O)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cn1 587015552 PKEZXWOVMDGNMC-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Br)ccc(Br)c2[nH]1 587087173 BPGBUJGQMDQZGV-SSDOTTSWSA-N 421.083 4.838 0 1 HJAF CN(C)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102965 BUHLTVYJAKGXEZ-UHFFFAOYSA-N 407.473 4.693 0 1 HJAF COc1ccc(NC(C)(C)c2nc3ccc(I)cc3[nH]2)cc1 587201498 OVSFLFCLMGVTJN-UHFFFAOYSA-N 407.255 4.523 0 1 HJAF Cc1nc(O)c(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330592 OBMXUAXPAYCWEZ-SIKLNZKXSA-N 413.832 4.868 0 1 HJAF CCN(CC)c1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414332 UPWUZQAAHQADFF-IERDGZPVSA-N 416.315 4.793 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587446289 BONMJFJWWDDISU-MAYOSHEUSA-N 414.457 4.575 0 1 HJAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O 587476563 PZPDKEINHZBRKW-JPYJTQIMSA-N 423.509 4.727 0 1 HJAF CCOC(=O)[C@@H](Cc1ccc(F)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506309 JUQJVUITNVHDCW-PXDATVDWSA-N 410.485 4.850 0 1 HJAF COc1ccc([C@@]2(CCn3ccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515092 JHIKHXUXRLDVCT-RUZDIDTESA-N 402.494 4.722 0 1 HJAF C=CN1CCCC[C@H]([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587516159 ZAHXZBZSCOTQBQ-NVQXNPDNSA-N 416.521 4.593 0 1 HJAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580489 IIIJLIWQGPFMFV-RDGATRHJSA-N 412.445 4.898 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CCCCC2)n1 587582619 QJHZEOYCDDQEIM-YKSBVNFPSA-N 404.466 4.876 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1C1CCCC1 587589081 SZOJOPYVRZQFGG-NYCNGAPYSA-N 405.494 4.662 0 1 HJAF CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598399 ULFNXPIJISHRDN-WIOPSUGQSA-N 418.445 4.511 0 1 HJAF COc1ccc2c(c1)[C@]1(CCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619086 QRMMYEOXEZPEDP-REWPJTCUSA-N 406.459 4.754 0 1 HJAF COc1ccccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702653 FGUXSBUEQZWPPU-DYZYQPBXSA-N 418.228 4.937 0 1 HJAF Cc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F 587718475 ZGODBCCWDPRVJW-QTTZVWFDSA-N 409.246 4.996 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2-n2cccn2)N1 587722122 QXNGQXLCTXPEEJ-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF CC(=O)n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587755951 ITOOWEQKZUBVJA-GIPWTMENSA-N 401.279 4.827 0 1 HJAF COc1cccc2c1OCC([C@@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 587834897 NFWXBIYXTLMXAG-XUSGNXJCSA-N 418.306 4.822 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848939 QBSPALSCVHOGCO-MLCYQJTMSA-N 412.324 4.601 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(NC(C)=O)c1 587858973 RBPWZCAOBUGMML-UHFFFAOYSA-N 418.280 4.903 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OC(F)F)cc1 587860871 HMKLEZGMBBRWNU-UHFFFAOYSA-N 412.314 4.867 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nc2ccccc2n1CC 587873025 TZEIMEBYXWOPGK-UHFFFAOYSA-N 424.501 4.890 0 1 HJAF COc1cc2c(cc1OC)[C@](C)(C[C@](O)(c1ccccc1)C(F)(F)F)N(C)[C@@H](C)C2 962576400 XCZWGXBLRBVQFU-RXYZOABWSA-N 423.475 4.636 0 1 HJAF NC(=O)N1CCc2sccc2[C@@]1(c1cccc(CN2CCCC2)c1)C1CCCC1 962720904 YKUZUOWCOVLBJY-DEOSSOPVSA-N 409.599 4.715 0 1 HJAF COc1ccc2c(c1)[C@]1(N[C@H]3CC[C@@H]23)C(C(=O)O)=CN(C(C)C)c2ccc(Cl)cc21 962995690 NQWULYRLKBPXSV-CODAWKSHSA-N 424.928 4.638 0 1 HJAF CCC[C@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963614121 WFLLZQWRVDEGBZ-SIBVEZHUSA-N 408.586 4.555 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OC(F)F)c3)n3c2CCO[C@H](C)C3)ccn1 1772631467 NAIGQUOPDWXADX-CYBMUJFWSA-N 403.404 4.622 0 1 HJAF CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2C=C[C@H]1O 2356589282 WLRAIWMXLNQMDK-GGAORHGYSA-N 410.466 4.799 0 1 HJAF O=[S@](Cc1cc(OCc2ccc(Cl)cc2)ccn1)c1nc2cscc2[nH]1 13448759 WTCIHJWNYNMOKA-SANMLTNESA-N 403.916 4.560 0 1 HJAF Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1 13686025 RXJCQXFHLUPFNH-UHFFFAOYSA-N 411.509 4.637 0 1 HJAF Brc1cccc(Nc2ncnc3cnc(NCc4cccnc4)cc23)c1 21289164 YXYVEDNSDFQKHH-UHFFFAOYSA-N 407.275 4.538 0 1 HJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3C)c2ccc(O)cc2)cc1 26255556 IHGJYBHYZNYXJH-ZRZAMGCNSA-N 404.554 4.933 0 1 HJAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)O 27109458 AFZVODUIDLEBBC-AAKUMTKESA-N 420.273 4.987 0 1 HJAF CC(C)CC(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 28641996 YEDQWWDQDOYQFX-UHFFFAOYSA-N 400.914 4.657 0 1 HJAF CCN(CCCCOC(=O)c1ccc(OC)cc1)[C@@H]1CCc2cc(OC)ccc2C1 28767257 JTENYCOBMBGYHV-JOCHJYFZSA-N 411.542 4.520 0 1 HJAF O=C1CN2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 31851227 GDBRNGAUUMNIRB-UBDBMELISA-N 407.728 4.787 0 1 HJAF O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccs2)CC1 34802193 BMGQVKZMTZBKLQ-UHFFFAOYSA-N 417.578 4.682 0 1 HJAF FC(F)(F)Oc1ccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)cc1 45505810 PCKSKDMMARZABC-UHFFFAOYSA-N 411.387 4.840 0 1 HJAF CC(C)c1ccc(S(=O)(=O)n2c3c(c4cc(F)ccc42)C[C@@H](N(C)C)CC3)cc1 60325822 ZLSXIXYITXPSOC-SFHVURJKSA-N 414.546 4.560 0 1 HJAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(Cl)cc1)c(O)c1ncncc12 73219872 UUMCKPXFPOYVFA-UHFFFAOYSA-N 415.858 4.645 0 1 HJAF C/C=C\c1ccc(O[C@H](C)[C@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1 82154465 PYVVKTYHVHGNMI-ZJTDORCHSA-N 400.471 4.817 0 1 HJAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccc(OC)cc2)cn1 84597157 XQTBWFMFMHTSGL-CXIYPPIKSA-N 421.537 4.745 0 1 HJAF CC(C)=CCc1cc([C@H]2Oc3c(ccc4c3C=CC(C)(C)O4)C(=O)[C@H]2O)ccc1O 85956031 IOXLCTZITMJUKD-DHIUTWEWSA-N 406.478 4.762 0 1 HJAF endogenous,in-man O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1cnc2ccc(Cl)cc2c1=O 95602903 HVKYOUMNZBBQOQ-KRWDZBQOSA-N 416.934 4.657 0 1 HJAF CCOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1C(F)(F)F 103260546 FZLSHQKWKAHSFQ-SFHVURJKSA-N 403.404 4.707 0 1 HJAF C[C@@H](c1ccc(Br)cc1)N1CCC2(OC1=O)[C@@H]1CC3C[C@@H]2CC(O)(C3)C1 142703845 LJJDWKAZXBYJCW-HMGDTKIRSA-N 420.347 4.662 0 1 HJAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cscc3Br)cc2)C[C@H]2CC[C@H]1N2C 168431679 AKZNIBWGGYEGKL-RGCFKVTRSA-N 420.372 4.917 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(F)(F)F)cc2F)n1 205159149 XNWMMXIFOLWPGU-XHDPSFHLSA-N 412.387 4.789 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOC4=O)cc3)nc3ccc(O)c1c23 586987781 FXFGUSHIBZAYMU-UHFFFAOYSA-N 408.413 4.775 0 1 HJAF COc1cnc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1Cl 587064684 MLARSXFQAQVZEO-UHFFFAOYSA-N 422.588 4.948 0 1 HJAF Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587124881 CXBCKZCABKAZAK-PRHODGIISA-N 414.229 4.805 0 1 HJAF COc1ccc2c(c1)[C@]1(CCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346040 KXHHKPGKUYGDEC-UPVQGACJSA-N 405.425 4.610 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)Oc4ccccc4)cc1)[C@@H](C2)C3=O 587433693 UQMVGFUUMLIBPW-CPJSRVTESA-N 415.445 4.969 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c3cc(Br)ccc3nn1C)CC2=O 587458219 HZGUBYDBVNOQCK-GOSISDBHSA-N 415.287 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C(=O)OC)c3)n1)CC2=O 587489151 SLDUNMYOABKTGG-HSZRJFAPSA-N 417.461 4.900 0 1 HJAF Cc1cc(Br)cn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 587500471 XALZOBMDVQNSCE-LJQANCHMSA-N 411.299 4.991 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518847 RDHYLNVQVFYVMT-BXQQJGBQSA-N 411.542 4.936 0 1 HJAF Cc1cc(Cl)c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587704938 LJRMHHOZLLOWOV-DYZYQPBXSA-N 408.702 4.821 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1 587722890 UBDZNJFMFYDGLG-QVHKOIDPSA-N 420.175 4.581 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OC(F)(F)O3)N1 587723314 WVBJAHYLSLFBGY-GLEZIHRCSA-N 400.194 4.533 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(C2CCNCC2)N1 587728076 CPFHCCOWJANBKD-ZSEKCTLFSA-N 421.329 4.505 0 1 HJAF COCCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587732961 PATZYKADGXATIA-ZUOKHONESA-N 410.302 4.932 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587738958 DTULHWNOGBEUHT-RGSOUBSXSA-N 403.339 4.750 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3)n2C)N1 587753125 HZYLWIZCHYYSKO-BUXKBTBVSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cnccn2)N1 587774310 MFIYXKIVBRAICN-ODXCJYRJSA-N 414.278 4.794 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587795201 HYIWFCUBKWKAHC-AFBRZQFHSA-N 412.343 4.851 0 1 HJAF COc1ccc2c(c1OC)[C@@](Cc1ccccc1)(c1cc(F)ccc1N)N(C)[C@@H](C)C2 962561655 DMZYQXGDLUFGML-MRDQGFSESA-N 420.528 4.788 0 1 HJAF Fc1ccc([C@@]2(c3ncc[nH]3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962642108 NNQBZFLOBREBCS-SQHAQQRYSA-N 424.523 4.588 0 1 HJAF Nc1cccc(Br)c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962695810 FMTMJTCAFXEKPS-HXPMCKFVSA-N 407.352 4.623 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@]2(Cc3ccccc3Nc3ccccc32)N1)C(F)(F)F 962720149 ZBJSPUCINAIQEL-GMAHTHKFSA-N 408.423 4.876 0 1 HJAF C[C@]1(c2cc(F)nc(N3CCCC3)c2)c2ccsc2CCN1Cc1cccnc1 962998329 VHOIYUUYNNXHLG-QHCPKHFHSA-N 408.546 4.599 0 1 HJAF CCOC(=O)CC[C@@]1(c2ccc(F)cc2)c2cccc(Br)c2CCN1C 963282814 YAIRDQGMJYEPNZ-OAQYLSRUSA-N 420.322 4.663 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)C(C)(C)c2ccccc2)C(=O)OC)cc1 1772630922 FDLQWPSEHRZGDH-XMSQKQJNSA-N 411.542 4.810 0 1 HJAF CCCCNC(=O)c1nc(-c2ccncc2)oc1-c1ccc(OC(F)(F)F)cc1 199228980 POGBBIAEGSXQMF-UHFFFAOYSA-N 405.376 4.832 0 3 HJAF O=C(O)c1cc(-c2ccco2)cc(Cc2cc(-c3ccco3)cc(C(=O)O)c2O)c1O 28650543 QHCVQUSWKQWIGR-UHFFFAOYSA-N 420.373 4.605 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Sc1ccccn1 34315778 FOOJBYZHQBYLFU-PPJLCPOLSA-N 410.583 4.614 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cccnc2[nH]1)C(F)(F)F 64274888 WFIFLFARTXGDFP-FQEVSTJZSA-N 410.411 4.914 0 1 HJAF CC(C)(C)OC(=O)NCCCCCCCNC1CCN(CCc2ccccc2)CC1 66112789 RSFAQPUAOMIBBL-UHFFFAOYSA-N 417.638 4.758 0 1 HJAF COCCn1c(CC(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189282 ZTQJILRYRSYIPD-UHFFFAOYSA-N 422.360 4.633 0 1 HJAF CC(C)N1C[C@@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 101645434 IRGZJOASCLJVTK-ODTAKUCXSA-N 421.537 4.512 0 1 HJAF O[C@H]1CC[C@H](n2cc(-c3ccc4cn(Cc5ccc6ncccc6c5)nc4c3)cn2)CC1 101686421 IOEGMAJBPLCGLZ-PSWAGMNNSA-N 423.520 4.972 0 1 HJAF Cc1c(C(=O)Nc2ccccc2)oc2cccc(OCCNCc3cccnc3)c12 103277969 WGWGMWGBTUVYLE-UHFFFAOYSA-N 401.466 4.557 0 1 HJAF CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@]3(C)[C@@]4(C)[C@@]12O 103575279 UUNHPBZSQYSXEZ-UFKVRQAFSA-N 424.581 4.995 0 1 HJAF biogenic,in-vitro Cn1c(C(=O)c2ccc(Oc3ncccc3C3=CCOCC3)cc2)nc2ccccc21 143498339 HVNMUYMCJNHSLC-UHFFFAOYSA-N 411.461 4.795 0 1 HJAF COc1cc(OC)c2c(c1)[C@@H](CCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)OC2=O 169326599 VSZPANPQXDVROZ-NBZRVGKJSA-N 404.503 4.940 0 1 HJAF CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2 223883989 CFYIXTOTEZGNDR-VWLOTQADSA-N 415.493 4.868 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(Br)c(F)cc3[nH]2)cc1 586971092 TUWAWKCIDVFLMI-UHFFFAOYSA-N 422.323 4.687 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 586973433 OFSKQZVBXBCXES-OAHLLOKOSA-N 422.323 4.575 0 1 HJAF CCCn1cnc2cc(-c3nc4cc(OC)c(OC)cc4[nH]3)cc(Br)c21 587004213 PSWUVOYACHMGCK-UHFFFAOYSA-N 415.291 4.769 0 1 HJAF O=C(O)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587016678 BIRGYYXDNGZXMM-UHFFFAOYSA-N 420.313 4.799 0 1 HJAF COC(=O)c1cc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c(F)c1Nc1ccccc1 587080099 RBVZNEDNTADRRQ-NSHDSACASA-N 413.840 4.691 0 1 HJAF CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104154 NTJUGFGMVYQAGF-UHFFFAOYSA-N 421.456 4.586 0 1 HJAF Nc1c(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F 587135164 ULNWSFBTTDKEKA-UHFFFAOYSA-N 408.124 4.751 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(OC)cc4F)[nH]c3c2)cc1 587150080 YVUHNYQNFIBCIB-UHFFFAOYSA-N 406.413 4.880 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c1 587232175 MOIMYWFBXGXSQG-UHFFFAOYSA-N 411.292 4.882 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCNc3nc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587329707 LXOZJFRIRNDZIL-KNQAVFIVSA-N 410.832 4.650 0 1 HJAF C[C@@]1(c2ccccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342616 OKVNYFQGGICMCX-NOZRDPDXSA-N 414.436 4.991 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCC(C(=O)O)CC3)cc1)CC2=O 587473895 CTKUSOAMUJKSAT-VWLOTQADSA-N 423.509 4.526 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)CC2=O 587473946 CWFPKJDMWNSRDR-SANMLTNESA-N 423.553 4.625 0 1 HJAF Cc1cccc([C@@H](O)[C@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587516065 ULERQFUQAIZEOM-CLJLJLNGSA-N 414.505 4.567 0 1 HJAF Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587551807 JXKPUKAYYGDGNF-WMZHIEFXSA-N 420.852 4.809 0 1 HJAF COCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573290 VQCCDZLAGSWOJL-XUZZJYLKSA-N 408.425 4.815 0 1 HJAF CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587593892 FUHZHCAJJPEAKR-QPPBQGQZSA-N 406.434 4.893 0 1 HJAF C[C@@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620133 XPSQXDUVAZIQEF-VBKZILBWSA-N 412.854 4.632 0 1 HJAF Cc1ccc(C)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1 587652561 VCFMIVACYZEKQX-UHFFFAOYSA-N 408.841 4.527 0 1 HJAF COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587710113 QNASJQWWTVHKOR-BTDLBPIBSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnc(C(F)(F)F)c2)N1 587721877 QYHPLTNBOOMPJD-FVMDXXJSSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)OCC(C)(C)CO3)N1 587839729 UREUEMOAQHFGGS-ZDUSSCGKSA-N 412.343 4.661 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)o2)N1 587845018 QELMCAWEHSBCDY-DYZYQPBXSA-N 420.307 4.746 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(C(F)(F)F)n1 587865098 QLAQFUIGJCIORO-UHFFFAOYSA-N 402.298 4.766 0 1 HJAF O=C(O)CCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 587957890 ZOYJEHNNEAEJLP-UHFFFAOYSA-N 401.507 4.812 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cccc(OCCCC(=O)O)c1 962399441 PTJDKYBFYCXQJQ-XMMPIXPASA-N 424.566 4.652 0 1 HJAF COc1cccc([C@@]2(c3ncccc3C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962623775 KVKREEGWXYBSJG-QYBDOPJKSA-N 418.537 4.584 0 1 HJAF C[C@]1([C@H]2CC3CCC2CC3)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189833 VXVFBRMKSOWUOG-UHUIPLBSSA-N 401.856 4.999 0 1 HJAF COc1ccc([C@H]2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1 1857581505 MLLGHRGDFKXYKT-QFIPXVFZSA-N 424.522 4.954 0 1 HJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(Cl)cc(C(=O)O)cc21 1857601331 CYPANNGLEVFHSU-UHFFFAOYSA-N 406.869 4.692 0 1 HJAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1 8666529 YMFZIYLIRUNWMX-HNNXBMFYSA-N 417.214 4.822 0 3 HJAF COc1ccc(CN2CCC(C(=O)N[C@H](C)c3cccc4ccccc34)CC2)cc1 61930745 DNMYRKXTQQNJML-LJQANCHMSA-N 402.538 4.938 0 3 HJAF CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)ccc1OC 774831 SWJOCNHLDMGMHK-UHFFFAOYSA-N 414.889 4.683 0 1 HJAF CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 11592716 RYMZZMVNJRMUDD-HTUHDBMBSA-N 418.574 4.586 0 1 HJAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)NC(C)C 26184782 NSLNQYPEZFICFT-XIVFASBXSA-N 421.578 4.665 0 1 HJAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O 27104822 AFZVODUIDLEBBC-QHIITQONSA-N 420.273 4.987 0 1 HJAF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2cccc(O)c2)N1c1ccc(F)cc1 29129489 GMRMLYLKWULHDF-DNVJHFABSA-N 407.441 4.592 0 1 HJAF C[C@H](CNCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35050530 VFZKNCMKHBNROZ-OZECAXSSSA-N 403.607 4.627 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc4c3CCCC4=O)n2)cc(OC)c1OC 40939286 ZQLYAHHLGLMANR-UHFFFAOYSA-N 421.453 4.557 0 1 HJAF O=C(Nc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O 45286357 OWMCRLCVNNKMLM-UHFFFAOYSA-N 413.412 4.777 0 1 HJAF CN(c1cccc(Br)c1)c1nc(N)nc2c1cc(Cc1ccccc1)n2C 64468884 BGSYWASSDBCFAF-UHFFFAOYSA-N 422.330 4.672 0 1 HJAF O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069286 VSQRPCMRUVQHDN-FQEVSTJZSA-N 423.582 4.669 0 1 HJAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)NCc2ccccc2Cl)c1 82146369 IUJCQXRYMGFNSC-UHFFFAOYSA-N 406.917 4.636 0 1 HJAF CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@H]1CCCN1C 82177863 CDWBJJCACWJGIX-GOSISDBHSA-N 412.969 4.699 0 1 HJAF CCC[C@H](NC(=O)c1ccccc1C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95574420 NJPSQBCGFDMLNA-QFIPXVFZSA-N 412.961 4.953 0 1 HJAF CCc1c(Sc2ccccc2)n(OCc2ccc(Cl)cc2)c(=S)[nH]c1=O 98083826 YOHWHFWCDOABJO-UHFFFAOYSA-N 404.944 4.902 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1 103215548 OOAWORWHFDVFSJ-KRWDZBQOSA-N 402.742 4.586 0 1 HJAF C[C@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@H](C)N5)cc4)s3)cc2)N1 196190954 FYWYWTFGPALOTO-HOTGVXAUSA-N 400.551 4.559 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 238808965 GRQROVWZGGDYSW-PWWFXVHUSA-N 406.607 4.566 0 1 HJAF Cc1c(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1C 587005489 JTTCRGFBNZKEAV-UHFFFAOYSA-N 416.504 4.815 0 1 HJAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3nc(Br)c[nH]c-3n2)c1 587092178 BBFNAXFNDOZNNP-UHFFFAOYSA-N 411.103 4.772 0 1 HJAF Fc1cc(Br)cnc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587154560 AXUQKPPFZGLKCU-UHFFFAOYSA-N 406.987 4.567 0 1 HJAF Fc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)nc1Br 587155872 URBZCLJXPFONGB-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cc(C(=O)O)ccc4F)c1)[C@@H](C2)C3=O 587424621 QFIHFUANZXZEMD-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1I)CC2=O 587471175 JFYDVSKMLSIPIF-KRWDZBQOSA-N 408.235 4.656 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N(C)C1CCN(C)CC1)CC2=O 587475570 PRVXGMHOAWDSLL-DEOSSOPVSA-N 408.542 4.582 0 1 HJAF CN1CCN(c2cccc(Cl)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587509724 WJODGAXUCLJVMZ-QFIPXVFZSA-N 410.945 4.677 0 1 HJAF Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21 587552344 QLEKKRLNLMNMNZ-XXBNENTESA-N 420.852 4.809 0 1 HJAF Cc1cccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)c1C 587563919 KCSLMBXUXBSONC-UHFFFAOYSA-N 411.097 4.679 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2F)o1 587570778 YMCLDTVQHFVXOQ-CVDCTZTESA-N 403.365 4.889 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccs2)nc1 587614789 UKZXVZXMKWWPKZ-NQIIRXRSSA-N 402.431 4.614 0 1 HJAF CC1(C)Cc2occ(C(=O)O)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587619629 YJWUCGKUDYVSCH-YADARESESA-N 420.417 4.513 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccc2)s1 587661207 LONFCQXUZSMGOF-UHFFFAOYSA-N 400.438 4.710 0 1 HJAF CCOc1ccc(-c2nn(-c3cc(Cl)ccn3)c(=O)c3ccccc23)cc1OCC 587668342 KNUPXPHUBJWNQB-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Br)c2)N1 587676891 ILKVRTSRSIEMJK-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1 587732585 ODSJUZGHLSGXAU-GIPWTMENSA-N 407.302 4.950 0 1 HJAF COc1ccc2c(c1)OCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833345 GBKAPPIZIYALDM-MPBGBICISA-N 406.295 4.547 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cc(N)ccc2o1 587865605 DBFVUZRGVLBWKN-UHFFFAOYSA-N 415.371 4.985 0 1 HJAF CCCOc1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br 587935822 JLJGOKJGUQGQOP-HXPMCKFVSA-N 419.319 4.960 0 1 HJAF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 587947101 SMDQBAGVSTVCAT-UHFFFAOYSA-N 401.441 4.681 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1C 961613174 GSFCIDVKDDUMPX-OAQYLSRUSA-N 413.359 4.988 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(c1ncc(C(F)(F)F)cc1Cl)N(C)[C@H](C)C2 962574138 SVQSYFKVZVDDDU-WYRIXSBYSA-N 414.855 4.911 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)(c2sc(C)nc2C(=O)O)N1 962949217 KYSKAHQLFMZGRN-FYSMJZIKSA-N 417.534 4.847 0 1 HJAF Cc1ccccc1-c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)c2ccccc2)cc1 1857593906 KDHWLJLQUXUWDL-XMMPIXPASA-N 409.489 4.540 0 1 HJAF Cc1c(O)ccc2c1[C@H](Cn1cc(-c3ccccc3)nn1)[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 1857757511 UWBNZZOOUVRGOO-WJQBNGMASA-N 413.521 4.990 0 1 HJAF C[C@H](CCCCCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356345687 XUIDIXMFLJXJDI-XARADAHVSA-N 414.583 4.570 0 1 HJAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 775025 FDCBETYWFIDCBS-UXHICEINSA-N 424.472 4.580 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055609 ADSAZXYKWXAYQI-GGAORHGYSA-N 422.912 4.738 0 1 HJAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3nccs3)cc2)c1C 13437961 KKLQZLPUGNIANZ-UHFFFAOYSA-N 411.508 4.883 0 1 HJAF CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 13607596 RIODAMKKYXEOCC-NRFANRHFSA-N 419.550 4.759 0 1 HJAF O=C1N(Cc2ccc(Cl)cc2)c2cscc2S(=O)(=O)N1Cc1ccccc1 27405918 NHNPWWKEDVMMRM-UHFFFAOYSA-N 418.927 4.733 0 1 HJAF COc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F 38157809 MUKUBBMIKFMHNH-UHFFFAOYSA-N 406.360 4.757 0 1 HJAF COc1ccc(OC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)cc1 82157935 XGZKKNLGABNKHB-INIZCTEOSA-N 409.486 4.621 0 1 HJAF COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NC2CCCCC2)n1 82197831 UHUDVUWXNYQKTA-KRWDZBQOSA-N 419.616 4.801 0 1 HJAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 103995762 GHXBBSITLNDJGJ-AOMKIAJQSA-N 411.498 4.616 0 1 HJAF Cc1cnc(N[C@H]2CC[C@H](N)CC2)cc1-c1cccc(NCc2cccc(F)c2)n1 115456120 QHKILCBNOPPVEQ-BGYRXZFFSA-N 405.521 4.885 0 1 HJAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(-n2cccn2)c1 167007470 IYJCCNXUIXSMFN-HXUWFJFHSA-N 405.498 4.533 0 1 HJAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12 223495686 LAMBIBHLZLVLFX-UHFFFAOYSA-N 405.885 4.903 0 1 HJAF O=C(O)/C=C/c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 586880612 AEGOXUUQAUVCQD-VMPITWQZSA-N 422.076 4.853 0 1 HJAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023650 NWILCWISTJXJHB-UHFFFAOYSA-N 400.257 4.814 0 1 HJAF COc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2n1 587086825 MRVYJMFDHZRNKN-VQHVLOKHSA-N 414.296 4.997 0 1 HJAF COC(=O)c1cccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c12 587147345 NFECAPYLMQKUBW-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587198632 OBLLYRGGUZHCTP-UHFFFAOYSA-N 411.387 4.503 0 1 HJAF O=C(Cc1c(Cl)cccc1Cl)c1c(CO)oc2cc(Br)cnc12 587275557 CXGOUCVYJXVKEI-UHFFFAOYSA-N 415.070 4.815 0 1 HJAF COc1ccc2c(c1)C[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354879 VZKJLYQOJHGTGX-ZCYQVOJMSA-N 404.437 4.827 0 1 HJAF COc1cccc(-c2nc3sccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587453433 QRNRTBPTBXCBSI-ZHRRBRCNSA-N 418.474 4.569 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C(F)(F)F)nn(C)c1Cl)CC2=O 587464043 HEJXOSRDGHYEHL-QGZVFWFLSA-N 402.800 4.631 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)CC2=O 587478221 RVCJFPTWJNOMPO-SSOJOUAXSA-N 423.509 4.870 0 1 HJAF Cc1ccc(OCC(=O)O)c2c1[C@@H](C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587524472 RJJSPRAIGGIVJP-MQNRADLISA-N 406.478 4.705 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)c1)CC2 587572037 QLCPCJNRJVPNHK-NRFANRHFSA-N 405.425 4.532 0 1 HJAF CCOCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587599667 YSZGTFSPCTWKGC-URXFXBBRSA-N 406.434 4.640 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601955 VYQLUHLYOPLWDZ-DHLKQENFSA-N 418.445 4.603 0 1 HJAF C[C@H](Oc1ccc(F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655503 KKUJIFKMWPMUJO-ZDUSSCGKSA-N 424.378 4.589 0 1 HJAF C[C@H]1CCCC[C@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657973 HCMXDZVPWVNXDM-ORAYPTAESA-N 413.493 4.643 0 1 HJAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC 587698111 YFRLAKBTTJLHAV-XYZCENFISA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccn2)N1 587730997 GMWUVDDWDYOWAE-ZSEKCTLFSA-N 415.281 4.948 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753140 IBYFFECZXSACHB-GFJSAUFNSA-N 423.326 4.685 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587795466 XKUYZHNDBNHBJW-MGNBDDOMSA-N 417.278 4.700 0 1 HJAF O=C(Nc1nc(-c2ccccc2)nc2cn(Cc3ccccc3)nc12)c1ccccc1 653777927 UIHVIJCQQPTJLV-UHFFFAOYSA-N 405.461 4.794 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1c(F)cc(C(F)(F)F)cc1F 961319515 ISGRUNZFPMFEKS-HXUWFJFHSA-N 415.402 4.976 0 1 HJAF COc1cccc(OC)c1[C@@]1(c2cnccc2C)c2c(F)cccc2C[C@@H]2CCCN21 963111127 WHGARPJGQIRPKZ-AFMDSPMNSA-N 418.512 4.859 0 1 HJAF Cc1c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)[nH]c2ccccc12 963182780 RVALXIDZNHXIBS-KBXCAEBGSA-N 408.807 4.837 0 1 HJAF CC(C)(C)c1ccc([C@@]2(C3CC3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963232558 OMFUEJFBVAICHU-OZXSUGGESA-N 400.522 4.785 0 1 HJAF COc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2O)c1 1772637059 SXBJGDFYKKTSFA-FCHUYYIVSA-N 423.310 4.784 0 1 HJAF NC(=O)[C@@H]1C[C@@H]1c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772652036 KUYJVLRNBSCRQU-IAGOWNOFSA-N 413.403 4.571 0 1 HJAF CC(C)=C[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4[C@@H]5C(=CC[C@H]23)C(=O)O[C@H]5C[C@]4(C)O)O1 2356521722 JRMCJWMKLHLRLM-WYTQDYBHSA-N 400.559 4.565 0 1 HJAF CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(COC(C)=O)CC[C@@H]1C(C)(C)O2 2356776600 VVGKJYWKBQPUEW-MSOLQXFVSA-N 416.514 4.977 0 1 HJAF Cc1cc(C)cc(Cn2c3ccc(NC(=S)NC4CCCCC4)cc3c(=O)n2C)c1 61905593 ZPLUYYHSHULIQV-UHFFFAOYSA-N 422.598 4.624 0 3 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCN(CC)CC 4212548 JYUYWVANCJQLTK-XZOQPEGZSA-N 417.594 4.557 0 1 HJAF Cc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 13474261 ALGPHUCTXNRLQM-UHFFFAOYSA-N 424.715 4.530 0 1 HJAF COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccccc1 13762392 NGZHLKOWCSLUAJ-DEOSSOPVSA-N 410.473 4.854 0 1 HJAF CCN(CC)C(=O)/C=C/[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26391891 PGJBQLZXSGYLAU-JAKGGPOZSA-N 414.634 4.891 0 1 HJAF COc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F 28952572 YCTGLFYLERVMCQ-UHFFFAOYSA-N 421.457 4.744 0 1 HJAF CCc1c2c(nc3ccc(Cl)cc13)-c1cc3c(C(=O)OC)cccc3c(=O)n1C2 29126229 CBJPWEAWTCHMNK-UHFFFAOYSA-N 404.853 4.581 0 1 HJAF Cc1nc2c(=O)n(Cc3ccccc3)nc(C(C)C)c2c2cc(-c3ccccc3)nn12 36242946 NYDAGOJMRNLNAC-UHFFFAOYSA-N 409.493 4.586 0 1 HJAF Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccc(F)c2)nc(Nc2ccccc2)n1 45202229 DLLMDJPNZQFNEX-NRFANRHFSA-N 421.520 4.811 0 1 HJAF COc1cccc([C@H](O)CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1 71319073 CYXMIZFRSKEIMP-DMDYGQEQSA-N 417.549 4.698 0 1 HJAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(C1=Nc3ccccc3C1)CC2 100627858 AHNDSLBLOBRYMA-UHFFFAOYSA-N 412.537 4.659 0 1 HJAF COc1ccc(Cc2nn3c(=O)cc(-c4ccccc4)[nH]c3c2-c2ccccc2)cc1 106177565 WWDNJQNJDFLNPI-UHFFFAOYSA-N 407.473 4.956 0 1 HJAF O=C(CC1CCCCC1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115646485 LTOSNLRMOKDOMV-DEOSSOPVSA-N 408.929 4.810 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CCCC4)cc3)C2)cc1 221044735 GJXQXVHTDHPOLC-UQBPGWFLSA-N 422.569 4.905 0 1 HJAF CC(=O)OC/C=C(/C)CC/C=C(/CC/C=C(\C)CCC(=O)C(C)(C)O)COC(C)=O 238768427 YPSGWPVFHZGFTP-SFGLAGSNSA-N 422.562 4.612 0 1 HJAF COc1cc(OC)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586959620 KQXSMQJVBRRTBY-GDLZYMKVSA-N 406.507 4.618 0 1 HJAF Cc1cc(Br)ccc1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 586981627 RLHNYHQPLSQBFA-UHFFFAOYSA-N 401.239 4.538 0 1 HJAF O=C1C[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)c2c(Br)cccc2O1 587002481 GQNISNGHFPBJIJ-ZDUSSCGKSA-N 411.299 4.840 0 1 HJAF FC1(F)Oc2cc3nc(-c4nc(Br)sc4C4CC4)[nH]c3cc2O1 587013527 ZXXFZMNVZGNEPO-UHFFFAOYSA-N 400.204 4.648 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587034430 ITZALKLCTWTYJL-LBPRGKRZSA-N 405.483 4.631 0 1 HJAF C[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130928 ZMDYTLBYRBPELH-SCSAIBSYSA-N 408.714 4.735 0 1 HJAF COC(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1OC 587247927 YJAUCKCGEWYLJB-UHFFFAOYSA-N 417.465 4.773 0 1 HJAF CN(C)/C=C/[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339088 RETRNJQZCWAZEE-IDMHDMBWSA-N 403.453 4.861 0 1 HJAF COc1cccc(OCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1 587398569 FJFHVTWPSXTGJK-DEOSSOPVSA-N 419.477 4.880 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(F)F)c1 587552729 BVCWFHPAIQJUSB-RXVVDRJESA-N 414.360 4.705 0 1 HJAF COc1ccc2c(c1)cc([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C 587576604 JSNULRCMWUNGPT-XUZZJYLKSA-N 401.418 4.595 0 1 HJAF C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595363 NHJAMRKPXYNUFR-IPLFZHMSSA-N 424.493 4.871 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(N)c2)N1 587682547 ZQVKLQKIUKQHIB-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2OC(F)F)N1 587722699 ZJAIRRHXXYLECJ-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587745664 WZZPKQKUSNHFPE-YEJXKQKISA-N 419.338 4.980 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)nn2C)N1 587767293 XZDIWBNXYHQWRL-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF COc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805282 FHHUUMKMOZVEFH-ODXCJYRJSA-N 408.311 4.712 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1Oc1ccccc1 587814482 ZTKZPPQALKPTGH-PJBPFLDMSA-N 420.322 4.574 0 1 HJAF COc1ccc2c(c1)OCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587831997 ASKSLRORQOKMAM-MPBGBICISA-N 406.295 4.547 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccccc2)on1 587862251 JKNVACJSXUUFDL-UHFFFAOYSA-N 413.355 4.921 0 1 HJAF CCOC(=O)c1ccc(C[C@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)cc1 962092207 MYGSVBKYHXCYJK-AREMUKBSSA-N 403.497 4.943 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccc(C)nc1)(c1ccc(F)cc1F)N(C)[C@@H](C)C2 962634616 UOCDWNGGLNAGAP-IVCQMTBJSA-N 424.491 4.854 0 1 HJAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)c3)C2)cc1 1772589348 IMQSQUOUMPLUQP-MGPUTAFESA-N 406.448 4.603 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC(C)(C)O2 5070753 DZVYGXQLOJBAOM-SFHVURJKSA-N 406.448 4.799 0 1 HJAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 12356398 JAKRKKAOZPPTDH-PGRDOPGGSA-N 419.569 4.719 0 1 HJAF CCC(CC)N(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13740910 IPRXHMGTIKEHQX-WILZEYHLSA-N 402.623 4.865 0 1 HJAF CC(C)=CCc1c(C)cc(O)c2c1[C@@H](O)c1c(CC=C(C)C)c(O)cc(O)c1C2=O 14883282 HDMVLEWLWPOMNK-XMMPIXPASA-N 408.494 4.755 0 1 HJAF biogenic Cc1cc2[nH]c(C(=O)NCc3ccccc3)c(CCc3ccccc3)c2cc1C(=O)O 29128352 YMVDVQGVONFPIM-UHFFFAOYSA-N 412.489 4.890 0 1 HJAF C[C@H](CCC(=O)O)[C@@]1(C)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 40845143 FHRCIBBNRSNARD-YEMBNXBASA-N 406.607 4.868 0 1 HJAF CN1CCN(c2ccnc3ccc(NC(=O)Nc4cccc5ccccc45)cc23)CC1 45201398 QIVQEJOELSTUKC-UHFFFAOYSA-N 411.509 4.784 0 1 HJAF COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@H]5CCCC[C@@H]5O4)cc3)ccc2c1 64512953 ICLVRPDPZWNNKL-GSDHBNRESA-N 403.522 4.934 0 1 HJAF O=C1Nc2cc(Cl)ccc2/C1=C/NCCCNc1ccnc2cc(Cl)ccc12 66123611 RSDNGBKVWWZCMV-ATVHPVEESA-N 413.308 4.926 0 1 HJAF Clc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)cc1 82184770 PMOXIVROHVNXMM-LJQANCHMSA-N 419.916 4.938 0 1 HJAF CCOc1cc2c(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)cnnc2cc1C 95573714 KDQOVORBKBCSNP-UHFFFAOYSA-N 420.557 4.695 0 1 HJAF COc1ccc2c(c1Br)OCCC=C2c1cc(OC)c(OC)c(OC)c1 95592387 JKYMRONCZYRICE-UHFFFAOYSA-N 421.287 4.698 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5ccccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175154 NSPYKRDDGBDZCC-UTKZUKDTSA-N 402.519 4.514 0 1 HJAF C[C@H](O)c1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269552 UQFQVMODAAJALN-IBGZPJMESA-N 410.521 4.677 0 1 HJAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(C(F)(F)F)cc4)c3c2s1 96270448 NFPDLDFOSLPKHQ-UHFFFAOYSA-N 403.389 4.974 0 1 HJAF O=C(O)CC[C@H]1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(Br)cc43)cc21 101089072 XIJGSRCEYCJYLN-FFCYNSPCSA-N 415.287 4.555 0 1 HJAF Nc1ccc(-c2cccs2)cc1NC(=O)CCCCCCNC(=O)c1cccnc1 117588123 SJZHMOSPHZERBV-UHFFFAOYSA-N 422.554 4.711 0 1 HJAF CN(CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C 143332416 OAPFLAAKJKGOTJ-NRFANRHFSA-N 423.431 4.711 0 1 HJAF COc1cc(OC)cc([C@@H]2[C@@H](C)[C@H]3[C@@H]2c2c(c4ccccc4[nH]c2=O)OC3(C)C)c1 169334488 XNUWURWAKZCDMS-NOMGZSDZSA-N 405.494 4.850 0 1 HJAF CO[C@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 169352417 RJBJIKXTJIZONR-LMEXZFPPSA-N 424.585 4.683 0 1 HJAF COc1ccc(/C=C\C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C 206758233 POWJGWLECZKJML-QPEQYQDCSA-N 415.537 4.903 0 1 HJAF Cc1cc(Br)ccc1OCc1nc2c(C)c(Br)cnc2[nH]1 586981171 LTUWPFWQTXYUDY-UHFFFAOYSA-N 411.097 4.679 0 1 HJAF COc1cccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)c2)c1 587051211 AUNWCNONCQTEBE-UHFFFAOYSA-N 402.845 4.535 0 1 HJAF CCOc1cc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1OC(F)F 587131397 ZTJNXOIRISQTKJ-UXBLZVDNSA-N 417.456 4.674 0 1 HJAF COc1cc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143351 CZNNMOMTRZOQSG-UHFFFAOYSA-N 422.412 4.760 0 1 HJAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1 587161447 OEXUIBDXOAXFQB-VHSXEESVSA-N 413.621 4.626 0 1 HJAF COc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587178906 NUJJIWFRHNVIQC-UHFFFAOYSA-N 418.156 4.862 0 1 HJAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326132 ABRBNHBPRWDSIR-PWJBXEHMSA-N 412.844 4.820 0 1 HJAF C[C@@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331769 FKJGLUYSGNSXNZ-WZONZLPQSA-N 404.397 4.529 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587335919 ITYSINXRCSHODF-ILBGXUMGSA-N 412.420 4.624 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc(Br)c1O)CC2=O 587455599 DNMLLQVDNRDEBH-KRWDZBQOSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C(=O)OC(C)(C)C)c1C)CC2=O 587476270 RCMQEVJFSKMNKD-GOSISDBHSA-N 400.475 4.648 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)CC2=O 587489944 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Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCCN1CCOCC1 73222491 KRIGDXFCPJWAEK-UHFFFAOYSA-N 424.328 4.657 0 1 HJAF O=C(N[C@H](CO)CSCc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1 82084527 LEZMPMDVJCFAKV-OAQYLSRUSA-N 418.518 4.519 0 1 HJAF Clc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)cc1 82184895 REKOTYQJGWCPSQ-QGZVFWFLSA-N 409.877 4.531 0 1 HJAF CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 82188490 LBUUPIZUJLSLQN-HXUWFJFHSA-N 420.605 4.726 0 1 HJAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1 96177678 QOIQDHJGNMWCJZ-JZXOWHBKSA-N 419.500 4.645 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 100930208 IMOYQSALPFSZJN-KAJXWAOTSA-N 402.506 4.985 0 1 HJAF CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccncc2)C2=C(O)CCCC2=N1 103996891 JIMXVZIBUKAEOI-JOCHJYFZSA-N 404.466 4.512 0 1 HJAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@H]2CC[C@H]1N2C 168410991 LUFCSMMNKWCPJV-NNFUDEMPSA-N 420.372 4.917 0 1 HJAF COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1 169694904 JTNUDEAZOXGMDZ-LEWJYISDSA-N 407.510 4.707 0 1 HJAF O=c1sc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1 299822662 BTWVUAHQSYTQBK-UHFFFAOYSA-N 409.599 4.836 0 1 HJAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(O)cc12 299851146 ABHNQEVBRXIRLW-IFYTVSBSSA-N 406.501 4.900 0 1 HJAF CCc1ccnc(Nc2cc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1 299856376 BQTLKRXKSBFWID-FQEVSTJZSA-N 401.514 4.506 0 1 HJAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(N)cc1)-c1ccccc1C2=O 586997484 SBGAENACMQXRED-OAQYLSRUSA-N 404.469 4.984 0 1 HJAF Fc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587007842 SVEPEUMFJPPJDF-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF Cc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1C(F)(F)F 587095257 TVFTVCHQHQOIPB-UHFFFAOYSA-N 413.193 4.942 0 1 HJAF Nc1c(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F 587134209 BOMSLGCTHZTZQO-UHFFFAOYSA-N 408.124 4.751 0 1 HJAF Cc1cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143850 BIRISWVCMSTXNB-UHFFFAOYSA-N 408.360 4.880 0 1 HJAF COc1ccc2c(c1)CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351309 MKFGPYLVGONFIH-ILBGXUMGSA-N 404.437 4.827 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)nc4ncccn14)[C@@H](C2)C3=O 587422533 QMHHFNBOMCCPMO-KSFYIVLOSA-N 417.852 4.547 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587449167 ICTYQKGYCUFTGZ-HFZDXXHNSA-N 414.457 4.701 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OCC)cc1)CC2=O 587480057 NCUHJOWHFCBIBK-DEOSSOPVSA-N 412.482 4.557 0 1 HJAF C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532160 NQORLZKPMJESRD-ODCWNRFASA-N 404.462 4.863 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc4ccccc4o3)c2c1 587650114 XLPPPXRDQZUHQG-UHFFFAOYSA-N 407.369 4.567 0 1 HJAF Cc1ccc(-n2cccn2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587762374 YDIKIXLIPKZOKA-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587789221 BPBCDNOKCJAMCS-WIUDPPPLSA-N 417.322 4.616 0 1 HJAF CC(=O)Oc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814104 XUDLAYDNKJHGSB-YEJXKQKISA-N 420.322 4.896 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccc2)n1C 587866126 UDJIQDYGFALCLS-UHFFFAOYSA-N 413.403 4.752 0 1 HJAF Cn1nc(C(F)(F)F)c([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1Cl 962692369 BCCOBCIMITYYFQ-ZUZCIYMTSA-N 419.875 4.684 0 1 HJAF O=C1Nc2cc(Br)ccc2[C@@]12ON=C(c1ccccc1)[C@@H]2c1ccccc1 1857639365 SZHNVQCFGGNZFC-UGKGYDQZSA-N 419.278 4.815 0 1 HJAF CC(=O)N1CCC(NC[C@@H]2C=C(C)[C@H](Cc3nc4ccccc4[nH]3)C[C@@H]2C(C)C)CC1 2356410233 FHDZKMSVUNEOGP-QNWVGRARSA-N 422.617 4.561 0 1 HJAF CC(=O)[C@]1(CCC(C)=CCCC(C)=CCCC2=CC(=O)O[C@@H]2O)[C@H](O)CCC1(C)C 2356658004 BDWHNXBIFYPWRV-NMVJMZGASA-N 418.574 4.778 0 1 HJAF Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)c2ccc(Cl)cc2)cc1 3136291 BJYYYECPYOJDBW-UHFFFAOYSA-N 423.968 4.913 0 1 HJAF biogenic CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213275 ZYCPOHNMPCLYQV-PNHOKKKMSA-N 411.949 4.559 0 1 HJAF CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCC)cc(O)c1C(=O)O 14715471 XZVFRLDHIHBLGT-UHFFFAOYSA-N 416.470 4.709 0 1 HJAF biogenic COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Br)cc2)n1 26388233 MDMGROFXZGIDQC-UHFFFAOYSA-N 405.683 4.894 0 1 HJAF CCCN(CCC)C(=O)C[C@@H]1C(c2ccc(Cl)cc2)=N[C@H]2C=CC(Cl)=CN21 27435430 AGKYWEYHIUTMKX-RTBURBONSA-N 406.357 4.828 0 1 HJAF Fc1ccc(C[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767806 LUVXYVCJJHKMGL-YLJYHZDGSA-N 407.272 4.840 0 1 HJAF CC[C@]1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccc(F)cc21 29052569 YJURYHIWIQYURK-XMMPIXPASA-N 413.512 4.557 0 1 HJAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1 29413140 WZOSJIRHTJHMGO-SGFLJFKBSA-N 411.256 4.791 0 1 HJAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccc(Cl)n2)/C1=C(/O)OCCc1ccccc1 29486622 DRJQEWXGLNLFAN-UQNFDQQLSA-N 413.861 4.830 0 1 HJAF CCC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C(\C)I)cc1)N2 36271295 FMZWUJWDVRSFBN-ISDHVXOGSA-N 409.311 4.686 0 1 HJAF Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(N)=O 36479220 JIDACICLZBLBLB-DYESRHJHSA-N 411.567 4.649 0 1 HJAF CC(C)c1ccccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O 43204687 KWMJUQLRHYSMHA-UHFFFAOYSA-N 424.850 4.971 0 1 HJAF CC(C)CN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(N[C@@H](C)c2ccccc2)n1 49087600 CGJWOLLPYHOCDG-SFHVURJKSA-N 416.525 4.887 0 1 HJAF CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nnc(C)o1 64559283 HRJYCFFNXMXFKB-SFHVURJKSA-N 406.490 4.585 0 1 HJAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95878692 UEVFQSKQKQDEAK-LJGDZFJRSA-N 402.538 4.563 0 1 HJAF O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100106307 VTMIAWADHDGBGP-JKHIJQBDSA-N 405.448 4.604 0 1 HJAF CC1=C(c2ncnn2C(C)(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 101668731 WJQGFYZHUPELCG-QGZVFWFLSA-N 403.317 4.983 0 1 HJAF COc1ccc(S(=O)(=O)Nc2ccc(-c3cncc4ccccc34)c(OC)c2)cc1 114028340 ZLLXYXKUIHRXPR-UHFFFAOYSA-N 420.490 4.720 0 1 HJAF COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(C4CCC4)[nH]3)cn2)cc1 205343416 LQOVNSYCTAVJRM-UHFFFAOYSA-N 405.498 4.984 0 1 HJAF CC(C)CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 238746151 FIOZUJXSEZUYCS-SJZYRSDGSA-N 420.590 4.804 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCc5cc(Cl)ccc54)ncc23)ccn1 261115641 IRCIYRGUVDZTEQ-GOSISDBHSA-N 418.888 4.791 0 1 HJAF CC[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccnc(C)c3)cnn21 299867284 XUFKUJQJBRITKF-MRXNPFEDSA-N 400.404 4.884 0 1 HJAF Cc1c(F)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586962663 YBTDYSDKYPZFTC-XPGWFJOJSA-N 413.518 4.705 0 1 HJAF Cc1nn(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1Br 586979277 VNLMTPCFEARTIM-UHFFFAOYSA-N 407.621 4.859 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586988109 ZGVRURJHOSYLIC-ZDUSSCGKSA-N 416.477 4.534 0 1 HJAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C[C@H]1CCCO1 587196245 PIRBVRFPWIZLSO-LLVKDONJSA-N 400.306 4.786 0 1 HJAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587242444 SZSCDMRCRFCYNG-UHFFFAOYSA-N 405.271 4.901 0 1 HJAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587259434 KZFYYEQJIKJHPR-HNNXBMFYSA-N 407.301 4.576 0 1 HJAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587327221 FWFMYMQYCIHVDR-DENIHFKCSA-N 412.800 4.524 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N2CCOCC2)C3)c1 587363368 MGAKVCSLNCWAJI-SFHVURJKSA-N 414.505 4.846 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1OC)CC2=O 587456972 CSJFEANOONGGBO-HXUWFJFHSA-N 405.288 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3oc(N)nc3c1)CC2=O 587473363 SOGWTIJKYXSZOZ-RUZDIDTESA-N 414.461 4.977 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CSCC(=O)O)(c1ccc(Cl)cc1)CC2=O 587491814 NIPONMPSRRLFER-NRFANRHFSA-N 420.914 4.677 0 1 HJAF Cn1cc(C(=O)c2ccccc2F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500394 BJAGAZZBOAUPRF-HSZRJFAPSA-N 403.453 4.981 0 1 HJAF O=C(O)c1cc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587507639 NOPHRPXZKUMODO-XMMPIXPASA-N 405.425 4.640 0 1 HJAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN(C)C 587567869 AJPRORKVACJPEK-WIOPSUGQSA-N 419.477 4.555 0 1 HJAF Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 587576351 GLUITHBBCQKUQJ-BVAGGSTKSA-N 407.425 4.860 0 1 HJAF CC(C)[C@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587506 OFTUKVCINZXRNA-GBXCKJPGSA-N 417.417 4.752 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2Br)N1 587682559 ZSWVHCPOADKTPY-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(C(F)(F)F)cs2)N1 587712245 KCDOYGMIQAMQSP-WJWGPLDTSA-N 409.246 4.861 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]2(c3cccc(F)c3)CCOC2)N1 587735632 YHWFQTOHZNPRSP-CFGAKRJMSA-N 408.286 4.661 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CN2CCCC2)N1 587768743 WBFIMUXLQVHVQW-QKKBWIMNSA-N 403.339 4.808 0 1 HJAF CCOC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792875 DFNZSKCNMVQEIW-ACJLOTCBSA-N 420.322 4.973 0 1 HJAF Cc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587796152 PKLQEPZFMZIFOA-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)n(C)n2)N1 587852674 MSWDCINJDYMVMU-XTZNXHDOSA-N 406.324 4.674 0 1 HJAF Cc1csc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12 587854199 CHGMPQDWEHCHEZ-WPPNPWJKSA-N 414.731 4.883 0 1 HJAF CCN(c1ccc(-c2csc(Cc3ccc(Cl)cc3)n2)cc1)S(C)(=O)=O 587922861 HBYAVEHUOWFJDT-UHFFFAOYSA-N 406.960 4.840 0 1 HJAF C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641773 YLSVXPQEEKORRX-DYVFJYSZSA-N 420.214 4.754 0 1 HJAF CCc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(F)c1F 963194700 QQBDSNKERAFEDC-YOEHRIQHSA-N 419.777 4.888 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cccc(-c2ccc(C(=O)O)cc2)c1 963634626 KZSUBKVEYBVIBO-DXPJPUQTSA-N 417.505 4.867 0 1 HJAF Cc1cc(OCC(=O)O[C@H](CN)C(C)C)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857753431 BVGOFBNHCUODDH-XMMPIXPASA-N 413.558 4.629 0 1 HJAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@H]3CC[C@@]12C3 2356340015 FNQZMWFGVBMQLB-IQBIBPCLSA-N 410.554 4.796 0 1 HJAF COc1ccc2c(c1O)N(c1ccccc1)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@]53OCC4 2356561535 GWUGNKKPSKDRBY-NDEVUPSOSA-N 418.537 4.555 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(c3ccccc3)CCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F 36381912 RSUCTBRHQBMPJI-SAWYMBPVSA-N 419.443 4.913 0 3 HJAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CCN(c2ccccc2)C1=O 13492831 AAUBLVWQSXZMKT-UHFFFAOYSA-N 404.253 4.615 0 1 HJAF O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)ccc(Cl)c21 40429995 FAMAYFGHBGIDFU-UHFFFAOYSA-N 403.034 4.625 0 1 HJAF CCC(CC)(c1ccc(F)cc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)cc1 43080049 GWBNHSKURLCFRV-LXJLHJBASA-N 400.490 4.532 0 1 HJAF CCN(c1ccc(C)c(Br)c1)c1ncnc2cc(OC)c(OC)cc12 64448629 XQZZKYYNFTUPMO-UHFFFAOYSA-N 402.292 4.876 0 1 HJAF O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)c(Cl)c1 103177784 JTBWCUISBMLGTP-UHFFFAOYSA-N 408.735 4.791 0 1 HJAF Cc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 169333084 MFBPSSGEWAMYST-UHFFFAOYSA-N 415.324 4.709 0 1 HJAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12 169334628 MVQBDSHATRULID-OAQYLSRUSA-N 414.933 4.948 0 1 HJAF CC(C)[C@@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@@H]1c1ccccc1 169345793 XLFJDHLGNLFIHC-HOTGVXAUSA-N 417.296 4.686 0 1 HJAF CCC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2 238764187 QTUISSYYAYQHML-UFONIEFXSA-N 406.563 4.973 0 1 HJAF CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299884630 UEFFNNPUQIERNK-FRTACKCFSA-N 406.574 4.709 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cccc(N4CCCC4=O)c3)nc3ccc(O)c1c23 586988287 OXNNDTCOKPESBJ-UHFFFAOYSA-N 406.441 4.946 0 1 HJAF Clc1ccc(Br)nc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587004905 CKOLWGLZHWTIRH-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF O=C(CCCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Cl)cn1 587081625 DJGWKKMBVITMNJ-UHFFFAOYSA-N 414.090 4.628 0 1 HJAF CC(C)Oc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587117986 IGQZYLCRNHFUEU-UHFFFAOYSA-N 417.229 4.571 0 1 HJAF CN(C)CCOc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196627 UIDUQUTUVROGJH-UHFFFAOYSA-N 400.526 4.710 0 1 HJAF Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 587342609 OJMFVKCDPOAXNV-XUZZJYLKSA-N 402.425 4.692 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1OC(F)(F)F)O2 587382805 OPYCTXRNSWDULO-AWEZNQCLSA-N 416.193 4.945 0 1 HJAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587581687 IYOSDZOFJQEFJQ-JBYIUTFZSA-N 407.510 4.767 0 1 HJAF Cc1cccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587605401 ZLDYKGWVEJPMKW-RDGATRHJSA-N 418.445 4.813 0 1 HJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587788038 ZCXXOCKKTRYUJO-RYUDHWBXSA-N 411.330 4.556 0 1 HJAF COc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC 587927715 SZAXRFQDTYAHPV-UHFFFAOYSA-N 415.209 4.952 0 1 HJAF COc1ccc2c(c1OC)[C@]1(CCCOc3c(Cl)cc(C)cc31)N(C)[C@H](C)C2 962618726 DLHCCMXMLFUJQW-IQMFZBJNSA-N 401.934 4.958 0 1 HJAF Cc1onc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CN(C)C4)CC2)c1C 1857588238 OOLSDVCJWODIMF-WKILWMFISA-N 411.937 4.912 0 1 HJAF CN(c1ccc(Cl)cc1)c1nc2nonc2nc1N(C)c1ccc(Cl)cc1 3212602 BADOEFZZMZYJHV-UHFFFAOYSA-N 401.257 4.855 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213322 BYNGGFFMJBPNRX-GKCIPKSASA-N 411.949 4.559 0 1 HJAF COc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610260 HJNOESUOZGNLKO-UHFFFAOYSA-N 413.481 4.529 0 1 HJAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cc(Cl)ccn2)CC1 13782301 ZUIIRJOZQKJSMP-UHFFFAOYSA-N 412.748 4.684 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3ccc(O)c(CC=C(C)C)c3O[C@@H]21 14780979 ZAAKSBRPXNODLV-LOSJGSFVSA-N 408.494 4.829 0 1 HJAF biogenic Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(Cl)c4)c3)cc12 14961663 FCRDIOYBVVUQPV-KRWDZBQOSA-N 410.880 4.675 0 1 HJAF COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)CC(C)C)cc1 27999810 AISIALODNZSDFP-NRFANRHFSA-N 421.603 4.583 0 1 HJAF Nc1onc(-c2ccc(O)cc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28567950 HLQKUJAJUYAENM-UHFFFAOYSA-N 418.293 4.609 0 1 HJAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccccc2F)O1 29413934 JOCPRPQYCUGFGM-MUHKLVGJSA-N 411.256 4.791 0 1 HJAF CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2c(C)cc(C)cc2C)OC1=O)CC 42888691 DTLWYWFBUKJHGF-WXWFSALESA-N 402.531 4.589 0 1 HJAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc(N)c2)nc2ccc(OC)cc12 58672644 UHMFNDHUKFJDDW-OQGFRWRESA-N 417.553 4.646 0 1 HJAF CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCNCC2)c1 59278014 RHZXGXCZSQHCQL-OAQYLSRUSA-N 420.475 4.996 0 1 HJAF COC(=O)c1ccc2[nH]cc([C@@H](C(=O)c3ccccc3)[C@@H]3C(=O)Nc4ccccc43)c2c1 102908648 MBDSAJRWZAEKCT-DHIUTWEWSA-N 424.456 4.657 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)C=CC=CO2)cc1 103178204 CBAPCEBKWQCANY-VWLOTQADSA-N 417.461 4.738 0 1 HJAF O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 169326021 JBTYBHPSYUTPGS-UHFFFAOYSA-N 423.273 4.698 0 1 HJAF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2cccc(F)c2)c2ncccc2c1 169327367 ISGRIIPUHZSYCE-DVQDXYAYSA-N 407.489 4.793 0 1 HJAF O=C(O)C1(COc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CCC1 218542669 BHKIMHKQGASHAH-UHFFFAOYSA-N 417.387 4.791 0 1 HJAF COc1ccc(-c2nc(C[S@](=O)c3cccc(Cl)c3)nc3ccsc23)cn1 299821631 LLRYQCPOEOKQMK-MHZLTWQESA-N 415.927 4.723 0 1 HJAF COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCCC3)n2)cc1 299873843 AKCCBDLWFFCBJQ-ABSDTBQOSA-N 423.561 4.757 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1Br 586979939 YRQYMBIPJKKBLH-UHFFFAOYSA-N 409.593 4.786 0 1 HJAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 586982412 WBHUGSSLCNLQPG-UHFFFAOYSA-N 415.291 4.999 0 1 HJAF C[C@@H](OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 586990626 ZWFPVJMIZJVLPE-OAHLLOKOSA-N 409.441 4.999 0 1 HJAF Cc1nc(Br)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587011733 RABJLDJTBLXUQG-UHFFFAOYSA-N 413.169 4.806 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(Br)c1)O2 587375732 FVUGZEJEVZHANB-OAHLLOKOSA-N 411.093 4.809 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(C)(C)c3c1[nH]c1ccc(C(=O)O)cc31)O2 587395654 DOWBJCGTHCVQOM-XMMPIXPASA-N 404.466 4.689 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Br)cn1)[C@@H](C2)C3=O 587421037 ZQKZNCRKGFEPEY-JTSKRJEESA-N 422.278 4.544 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(c1ccccc1)CC2=O 587467514 ANSPWVHKHLLQKE-DEOSSOPVSA-N 411.498 4.730 0 1 HJAF CCS(=O)(=O)c1c(Cl)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530784 HJFIAZOLNSBGBO-LJQANCHMSA-N 404.915 4.719 0 1 HJAF CC(C)[C@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581643 WWAZSTXIHAOCIR-RDGATRHJSA-N 417.461 4.777 0 1 HJAF Cc1cccnc1C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707006 RXQHFLWEFWEJPZ-GTNSWQLSSA-N 417.244 4.826 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(F)F)c2)N1 587718573 OBZNCTXFKKYRGK-MLCYQJTMSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723355 XDZZQDLDFUJASI-XBSMWNEMSA-N 410.155 4.907 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587743146 VXLSZVKKCCQNCN-VUIWHECWSA-N 419.338 4.775 0 1 HJAF Cc1cccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587756846 FXTNNRALKOEHIS-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccncc2)N1 587757412 VNFNNUNOXCTYSP-SZNDQCEHSA-N 414.322 4.651 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2cccn2)N1 587760769 QNNRSPUHUWILCK-ZUOKHONESA-N 400.295 4.572 0 1 HJAF COc1ccccc1CC(=O)c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587932643 XGURGXKRBJXUDI-UHFFFAOYSA-N 413.193 4.778 0 1 HJAF CCCOc1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br 587935820 JLJGOKJGUQGQOP-BUXKBTBVSA-N 419.319 4.960 0 1 HJAF CCOc1cc(C=O)c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587945017 IDAOXWHCCTXBKY-UHFFFAOYSA-N 421.472 4.683 0 1 HJAF O=C(Nc1ccc(Cl)c(C(=O)N2CCCC2)c1O)Nc1cccc(F)c1Cl 653899273 HSWWDQMOEMUKKZ-UHFFFAOYSA-N 412.248 4.718 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c[nH]c2ccc(Br)cc12 963643491 ZWAGGIHGAHQKNM-BIBXISHDSA-N 401.304 4.571 0 1 HJAF CCO[C@@H](C)n1nccc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833219 SYYPFFHHDKIWFU-GKVSMKOHSA-N 416.525 4.734 0 1 HJAF Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(=O)c2ccccc2)ccc1-c1ccccc1 1857549435 FMAQORMZVYWJSO-DEOSSOPVSA-N 409.489 4.540 0 1 HJAF O=C(NC1CC1)c1ccc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)cc1 1857576255 WHNYTLZJPSDHIG-UHFFFAOYSA-N 405.461 4.504 0 1 HJAF O=C(Nc1nc(-c2cccc(O)c2)cs1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1 1857750430 BYTPJJZTQDGDEU-UHFFFAOYSA-N 416.405 4.508 0 1 HJAF COc1ccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@H](CC(C)C)N3C2=O)cc1 1911573734 IAZBBHYVQSVMAS-FCHUYYIVSA-N 417.509 4.653 0 1 HJAF CCC1CCC2(CC1)SCC(=O)N2NC(=O)c1[nH]c2ccc(Cl)cc2c1C 1911583056 SOTWNQKVCJDSRC-UHFFFAOYSA-N 405.951 4.646 0 1 HJAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=C3CC[C@H](C)[C@H]3C[C@H]2C(C)(C)O)ccc1O 2356566038 UJHQSMHJLBMXAL-CODJPFMTSA-N 414.542 4.869 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]3C1(C)C 2356626550 BUDAMNIUJPUZEA-FDHBUPKJSA-N 416.558 4.650 0 1 HJAF C[C@H]1[C@@H]2CC[C@@H](CO)CN2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356664294 PHPBOUSFBOILOX-AGKRYWBASA-N 413.646 4.627 0 1 HJAF CSc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1 2456059 SRWOZUKJAFTBPQ-PKTZIBPZSA-N 414.530 4.884 0 1 HJAF CO[C@H]1[C@@H](OC(=O)c2cccc(Cl)c2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5963948 QBAFOIZSLVPHRY-PMACEKPBSA-N 414.841 4.531 0 1 HJAF C/C(=C\c1ccco1)CN1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 11980528 JXSUXMCTWNWNMF-NGIPLVLYSA-N 419.521 4.864 0 1 HJAF CCOP(=O)(OCC)[C@@H](NC(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1 17254628 YULVLLMJUKAERH-CYBMUJFWSA-N 421.274 4.808 0 1 HJAF CC[C@H](C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 26467662 GYHKWNJJVFLXAF-XJKSGUPXSA-N 402.930 4.623 0 1 HJAF O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@@H](COc3ccc(Cl)cc3)CN12 27520804 AUDZPOJILZPYBI-DNVCBOLYSA-N 412.700 4.900 0 1 HJAF O=Cc1ccc([C@@H]2[C@@H](CC[C@@H](O)c3ccccc3)C(=O)N2c2ccc(C=O)cc2)cc1 28088459 KNABAQHDXJTSHY-UBFVSLLYSA-N 413.473 4.530 0 1 HJAF CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)on1 45253140 RGFQIYVLUSEHJF-UHFFFAOYSA-N 404.344 4.789 0 1 HJAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CO)c(F)c4[nH]nc(N)c34)cc2)c1 63539854 WBAWCNRBKDEMDU-UHFFFAOYSA-N 423.423 4.535 0 1 HJAF CCOP(=O)(OCC)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)ON1C 71329604 SRAVNGAZNJFLOC-SESVDKBCSA-N 403.415 4.696 0 1 HJAF Cc1ccccc1C(=O)N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 95579514 PBBXMRSAGQVCLG-QFIPXVFZSA-N 400.522 4.545 0 1 HJAF CN1CC2CCC1([C@H](NC(=O)c1ccnc(Cl)c1Cl)c1ccccc1)CC2 141433637 XVRNLXDKHRNHES-TUVDCLKLSA-N 404.341 4.734 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3cccnc3Cl)cc2)c2ccccc2n1 141989666 CTMSGNYEINNMPK-UHFFFAOYSA-N 418.888 4.584 0 1 HJAF NCCC[C@@]1(C(=O)O)CCc2c(ncn2CCC2CCC(C3CCCCC3)CC2)C1 169306714 KUVAYHVUNQWSPM-BPOAOHNVSA-N 415.622 4.959 0 1 HJAF COC(=O)CCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 169311799 JRTHFPCMRANJMH-UHFFFAOYSA-N 422.869 4.509 0 1 HJAF CC(C)[C@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@H]1c1ccccc1 169345796 XLFJDHLGNLFIHC-HZPDHXFCSA-N 417.296 4.686 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 169358929 RYPMTHMHTXUIIA-ZMSCREDJSA-N 400.607 4.545 0 1 HJAF CCCCCN1C(=O)COC[C@H]1c1cncc(-c2ccc(OC(F)(F)F)cc2)c1 205401201 MWPVORRSNNZNTI-IBGZPJMESA-N 408.420 4.737 0 1 HJAF COc1cc(-c2nc(-c3ccnc(CF)c3)c3n2C[C@@H](C)OCC3)ccc1Cl 221761050 RORYOHMUDRYOLU-CYBMUJFWSA-N 401.869 4.705 0 1 HJAF CO[C@H]1CC[C@H](Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 299832016 JOUAHPWBRPLGSY-SHTZXODSSA-N 406.408 4.664 0 1 HJAF c1ccc(-c2csc(Nc3cccc(-c4nc5cc6cn[nH]c6cc5[nH]4)c3)n2)nc1 587021409 MSCOSEFYGPWBHW-UHFFFAOYSA-N 409.478 5.368 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 587097718 MZUOMOSLFKYWNL-UHFFFAOYSA-N 417.156 4.937 0 1 HJAF COc1c(F)ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1N 587133518 RMQXJLAMMZNDOI-UHFFFAOYSA-N 404.161 4.741 0 1 HJAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc3c(c2)OCO3)C1)-c1ccccc1C4=O 587209894 WGPKNSJKAMLOGU-IBGZPJMESA-N 419.436 4.822 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3c2)cc1 587244981 UEQMSFNWVOCOQN-YPKPFQOOSA-N 413.433 4.794 0 1 HJAF CCOc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393832 NSGPEKPLWGHSFA-NRFANRHFSA-N 413.477 4.997 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O 587425514 DNVJWBCBMZMEJJ-UQBPGWFLSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccc(C(F)(F)F)c1)CC2=O 587464609 UNPTWVFFOSKGRI-OAQYLSRUSA-N 422.399 4.787 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 587490597 YTDYATKCEPEMMH-ANCIUUTRSA-N 401.503 4.611 0 1 HJAF O=C1C[C@H](c2ccccc2OCC(=O)N2CCCCC2)Oc2c1ccc1c2CCCC1 587512955 GXRMXWMXPLBYNL-XMMPIXPASA-N 419.521 4.663 0 1 HJAF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CO)cc21 587531391 ZVDNYIQOWWATNQ-MHZLTWQESA-N 410.469 4.511 0 1 HJAF CCn1nc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587583748 XITDICUGYJHAKC-GMAHTHKFSA-N 414.461 4.725 0 1 HJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587793225 QWXUINWFUWNNPS-MLCYQJTMSA-N 404.283 4.544 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3cnc(Cl)nc23)N1 587857109 KDQDOMWLINTOCU-JKYUHCHBSA-N 412.715 4.870 0 1 HJAF CCCOc1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br 587935819 JLJGOKJGUQGQOP-BLVKFPJESA-N 419.319 4.960 0 1 HJAF COc1ccc2c(c1OC)[C@]1(CCCOc3c(Cl)cc(C)cc31)N(C)[C@@H](C)C2 962618727 DLHCCMXMLFUJQW-NPMXOYFQSA-N 401.934 4.958 0 1 HJAF CC(C)CCn1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)n1 962636727 OIRNPOONEFISRM-BVAGGSTKSA-N 400.570 4.766 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)C(=O)OCC)c1ccc(C)c(C)c1 963241674 NHTMOCBQSLDKSV-RXFWQSSRSA-N 407.554 4.726 0 1 HJAF COc1ccccc1-c1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccccc2)cc1 1857634741 PQHYNNTWXALAOX-NZQKXSOJSA-N 419.502 4.703 0 1 HJAF COc1ccc([C@@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OCC=C(C)C 2356507430 VPSRGTGHZKLTBU-QXVOXHNYSA-N 424.493 4.844 0 1 HJAF CCC(CC)c1cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCC2CC2)nc(-c2ccncc2)n1 2356852698 QSPFCQDIAKPJTJ-YTFSRNRJSA-N 419.617 4.620 0 1 HJAF Cc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)Cc1cccs1 61926148 HXZLBAGBCRZQCR-UHFFFAOYSA-N 409.486 4.741 0 3 HJAF CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(=O)[C@H]1[C@@H]2c1cccs1 8617989 SCLFJRBWWBVSIU-GJZGRUSLSA-N 401.557 4.968 0 1 HJAF COc1cc2c(cc1OC)-c1cc(Nc3c(C)cccc3C(C)C)nc(=O)n1CC2 29310138 ICDQWUFXVYCPAR-UHFFFAOYSA-N 405.498 4.659 0 1 HJAF CC(=O)c1ccc2c(c1)OC[C@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)O2 36238012 RDYSIFFUFHBZMZ-IBGZPJMESA-N 424.472 4.579 0 1 HJAF CCOC(=O)c1cc(=O)c2cc(CSC(=S)N(C(C)C)C(C)C)ccc2o1 42922517 JSTBCLWCQOZCRY-UHFFFAOYSA-N 407.557 4.607 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2ccnc3ccccc23)C1 45322282 FWUNHKMNSNAZDT-MRXNPFEDSA-N 400.404 4.654 0 1 HJAF COc1ccc(-c2ccn([C@H](CC(=O)O)C(C)C)c2-c2ccc(C(N)=O)cc2C)cc1 71295573 GXWASBSVPNVUOG-JOCHJYFZSA-N 420.509 4.910 0 1 HJAF CC(C)(C)OC(=O)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103543 HDEFXTSJRHDXCG-IBGZPJMESA-N 405.901 4.516 0 1 HJAF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2)oc1C 82162838 WBIZVDVGVQWQEH-UHFFFAOYSA-N 400.438 4.756 0 1 HJAF CC(=O)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933204 QHAJNTFLVQPGDQ-UHFFFAOYSA-N 417.174 4.510 0 1 HJAF O=C(Nc1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100107123 YTIHYXYCEWYQRO-NUNAXRQHSA-N 403.913 4.979 0 1 HJAF Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)c(C)c1 103187125 YYRFKXCUQCXXBK-PXLXIMEGSA-N 406.913 4.848 0 1 HJAF Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1 142666572 HLCWYVVFTZGONF-UHFFFAOYSA-N 419.894 4.712 0 1 HJAF C[C@H]([C@@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255220114 IRRHFODGOMSPEE-QVOHAWANSA-N 415.662 4.921 0 1 HJAF Cc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1Br 586978773 GYRSYRCMYILOQL-UHFFFAOYSA-N 416.504 4.815 0 1 HJAF CCCc1sc(N)nc1-c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587013381 NLCFEGBDAZFTEW-UHFFFAOYSA-N 408.483 4.800 0 1 HJAF c1ccc2c(c1)ncc1nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018425 AGJOBVGAVBXCEZ-UHFFFAOYSA-N 400.463 4.597 0 1 HJAF CC(C)CCOc1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2cc1Br 587243057 CMHIJLHHNVURQL-UHFFFAOYSA-N 417.307 4.908 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCN(Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587347920 VTWJXXJVGXVMBC-RSXGOPAZSA-N 417.480 4.925 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(Cl)n1)[C@@H](C2)C3=O 587421956 ONXPFOMXOIOEFB-AOMKIAJQSA-N 407.853 4.811 0 1 HJAF O=C1C[C@H](c2ccc(OCC(=O)N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587514104 LZAMHNAOWRULOR-XMMPIXPASA-N 419.521 4.663 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccn1 587568503 DRCVWTDSMAPXGO-RDGATRHJSA-N 413.404 4.832 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cc(F)cc(F)c1 587572605 SQXWTPXEVCXPDF-WMZHIEFXSA-N 420.371 4.763 0 1 HJAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600157 MFXXCNDTXJHHPV-YBWLXYFRSA-N 402.446 4.925 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccsc1Br 587613595 OBIQAUFKXHQNCJ-RHSMWYFYSA-N 403.253 4.919 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccnc2)s1 587616047 YSPPKFRQENEHMD-RXVVDRJESA-N 402.431 4.614 0 1 HJAF CC(C)n1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587709970 PMBRYMDBHCSSAC-QFYYESIMSA-N 420.248 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3)c2)N1 587763258 IMIKGUOPJITBMV-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(OC)c1F 587864991 NNSMXUFEVWEJBF-UHFFFAOYSA-N 408.351 4.804 0 1 HJAF O=C(c1ccccc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1 653803684 OKXFTOMIQUABNL-UHFFFAOYSA-N 421.516 4.699 0 1 HJAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 653805757 GVVXAWYQJHOZKA-QGZVFWFLSA-N 423.431 4.647 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(Cl)c1Cl)(C1CCC1)NCC2 962933100 HEZMNAIKDFTFHR-JOCHJYFZSA-N 403.353 4.885 0 1 HJAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(O[C@@H](C)CC)c3)C2)cc1 1772583577 UQWBCRYRZIXXCQ-XLNZFTOWSA-N 410.558 4.761 0 1 HJAF O=c1cc(-c2ccccc2)oc2c(OCCCCNC3CCCCC3)c(O)cc(O)c12 1772634104 KJUIWCWPOCAXLV-UHFFFAOYSA-N 423.509 4.953 0 1 HJAF O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccn2cc(-c3ccccc3)nc12 1772655284 QXKHLCPMWPHNFR-UHFFFAOYSA-N 418.456 4.884 0 1 HJAF CO[C@H]1O[C@@H](OC(C)=O)c2ccc([C@@]3(C)CCCC(C)(C)C3)c([C@@H](C)C(=O)O)c21 1911574455 UKGYHRYFQMGSID-ATJVAONMSA-N 404.503 4.970 0 1 HJAF COc1cc2oc([C@@H]3[C@H](C)[C@H](O)C(C)(C)[C@@H]3O)cc2c2c1CC[C@H](c1ccccc1)O2 2356283961 IJFJEKNEACFQBH-PICOUTFUSA-N 422.521 4.989 0 1 HJAF Cc1ccc2nc(CO[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2c1 2356300834 YIEPTGZDHRUYHX-VQIMIIECSA-N 407.411 4.629 0 1 HJAF COc1cccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1 61903526 YBCAJTRGFHORHZ-AREMUKBSSA-N 414.505 4.534 0 3 HJAF Cc1cc(C)c2c(=O)n3c(nc2c1)[C@@H](CC(C)C)NC(=O)c1cc2ccccc2cc1-3 61921309 JKPVHKQRJAYYRL-OAQYLSRUSA-N 411.505 4.986 0 3 HJAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 769057 FNEKBQHKTRYXRI-GGAORHGYSA-N 420.896 4.757 0 1 HJAF COC(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 4237956 RAZVZPJMPYXMDC-KRWDZBQOSA-N 424.385 4.779 0 1 HJAF CCc1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 6425651 JDBLIKJYUHYRPZ-LJQANCHMSA-N 410.322 4.676 0 1 HJAF COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c2ccccc2)c1 13865425 IPIOFSASIRPEHU-KIMZKBMCSA-N 421.537 4.720 0 1 HJAF Fc1ccc(C(OCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 22925568 PEISWOHNLQWAFV-UHFFFAOYSA-N 422.519 4.889 0 1 HJAF Nc1cccc(Cl)c1N1C(=O)NCc2nc(Sc3ccc(F)cc3)ccc21 27321849 RDPUGHXXFVBDFA-UHFFFAOYSA-N 400.866 4.969 0 1 HJAF CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36153101 AMMUGGRFIMMQNM-ZPTQAHJBSA-N 416.650 4.971 0 1 HJAF O=c1cc(NCCCNCc2[nH]c3cc(Cl)ccc3c2Cl)[nH]c2ccccc12 45168987 ZRHSZFKXFMCJCV-UHFFFAOYSA-N 415.324 4.908 0 1 HJAF Cc1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1 72185486 LZFXGVHBSRBTSP-DEOSSOPVSA-N 417.553 4.651 0 1 HJAF CC(C)(C)OC(=O)NC1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72185983 MGYGXSLZKFRILB-FQEVSTJZSA-N 419.928 4.953 0 1 HJAF O[C@H]1CC[C@H](Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1 101468133 YVQKIQSJMFGJEG-FZNQNYSPSA-N 410.497 4.540 0 1 HJAF CCOc1ccc2nc(N3CN(c4ccc(F)cc4)c4ncccc4C3=O)sc2c1 103238098 GSWIDSJABZERMZ-UHFFFAOYSA-N 420.469 4.985 0 1 HJAF O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1CCc1c[nH]c2ccccc12 103278087 CIFQXAREUNGHIR-HSZRJFAPSA-N 406.485 4.898 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@@H]1C[C@H]1c2ccccc2N[C@H]1C3 169345636 OZDWUFRFWFSOQE-JNXJVMNKSA-N 416.565 4.667 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc([C@H](C)N=O)c3)n2)cc(OC)c1OC 169686081 ICRWWBDZEAPJSF-ZDUSSCGKSA-N 410.430 4.866 0 1 HJAF O[C@H](COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1 218390520 QSDHTODUGJZFTK-VWLOTQADSA-N 410.517 4.700 0 1 HJAF CC1(C)[C@H]2c3cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)c(O)cc3O[C@@]3(C)CC[C@@H]1[C@H]23 256070129 IJVOVAHXZFALHZ-MPHHSTPYSA-N 422.477 4.811 0 1 HJAF endogenous,in-man COc1ccc(/C=C(/C(=O)N2CC(=O)Nc3ccccc32)c2ccc(C)c(C)c2)cc1 473090252 NNCNRMGONNSWOX-PXLXIMEGSA-N 412.489 4.838 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(C)c2[nH]1 586934502 AHULIKPRTXZGHD-KRWDZBQOSA-N 417.600 4.569 0 1 HJAF Clc1nccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1Br 586979151 IDWAOYCSZDEPGA-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF CCOc1n[nH]c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Br 586980204 RITMKGVPSHSRSJ-UHFFFAOYSA-N 413.275 4.693 0 1 HJAF O=C1c2ccccc2-c2cc(CCc3ccc4c(c3)OCCO4)nc3ccc(O)c1c23 586990633 HEUYQXHCEWLDGB-UHFFFAOYSA-N 409.441 4.708 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4C(=O)C=CC4=O)cc3)nc3cccc1c23 587104766 IKTQMQJAQYVDBI-UHFFFAOYSA-N 402.409 4.543 0 1 HJAF Fc1c(F)c(F)c(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1F 587134139 IXZFKBNQVDYPNG-UPHRSURJSA-N 408.099 4.725 0 1 HJAF CN1CCN(c2ccc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3c2)CC1 587137714 HSFHWYYBBYTVFO-UHFFFAOYSA-N 423.717 4.537 0 1 HJAF COc1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cc1OC 587138704 RDOKGEADCCGFIM-UHFFFAOYSA-N 410.376 4.891 0 1 HJAF COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393486 HRMDBVLGPHKRJL-NRFANRHFSA-N 413.477 4.915 0 1 HJAF COCC[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574015 XXQCYYFFGJDRGS-URXFXBBRSA-N 408.425 4.511 0 1 HJAF O=C(c1ccc(COc2cccc(Cl)c2)o1)n1ncc2ccc(Cl)cc2c1=O 587652270 ZYOTVLSVDQSDHF-UHFFFAOYSA-N 415.232 4.564 0 1 HJAF Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587676257 DMDOHNJHBVPMCD-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncc1Br 587679928 GBGMSWHGYTYPRU-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(N)c2)N1 587746107 LIVCUKNXGYSGIL-JLCFBVMHSA-N 411.318 4.997 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587789219 BPBCDNOKCJAMCS-MQJDWESPSA-N 417.322 4.616 0 1 HJAF CCOC(=O)c1c(C)[nH]c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587792561 OUHLOQHVCMYAEK-WVDJIFEKSA-N 423.326 4.508 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824424 WOCMOVAPRINZEX-PTPDTQQLSA-N 402.307 4.517 0 1 HJAF COc1ccc2c(c1)C=C([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)CO2 587833716 HQPHABAJQUDFQZ-PRWKNARSSA-N 404.279 4.648 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H]2CCOC2)(c2ccccc2)N1 587835296 PAPBUWWGYJDKGV-WIEQDCTASA-N 404.323 4.793 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccnc3)s2)N1 587853427 MWQSAWBEWAGCEE-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)o1 587862174 GIPZDSVXHFLZNB-UHFFFAOYSA-N 421.419 4.701 0 1 HJAF CCN(c1ccc(-c2csc(-c3ccnc4ccccc34)n2)cc1)S(C)(=O)=O 587923657 ZQORUMCWXKMRIU-UHFFFAOYSA-N 409.536 4.811 0 1 HJAF C[C@]1(c2sc(N)nc2C(F)(F)F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962691640 ALCHKNYFZFLHJT-BMLIUANNSA-N 417.497 4.510 0 1 HJAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(C=Cc3cccc4cccc2c34)N1 962705304 VVIXWVHXHSIYJE-SIKLNZKXSA-N 413.370 4.867 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(OC(F)(F)F)c2)N1)C(F)(F)F 962731249 QRWSEROEYVXOCE-DZGCQCFKSA-N 423.740 4.974 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)([C@@H]1C(=O)[C@@]3(C)CC[C@H]1C3(C)C)NCC2 962914164 CTFISOXMTGSCCH-HTASAFEOSA-N 405.586 4.574 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(C[C@H](C)CC(=O)O)c1cccc(C)c1C 963058922 RHTAAAPFTGIEFT-AKJBCIBTSA-N 418.537 4.750 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(CCCC(=O)O)c1cccc(F)c1 963290788 YNRPARAWRDLAFS-HXUWFJFHSA-N 406.295 4.575 0 1 HJAF COc1ccc(C(=O)[C@H](CCC2CCN(Cc3ccccc3)CC2)C(C)=O)cc1OC 1772579611 LKNNUHOFKGKYOP-HSZRJFAPSA-N 423.553 4.784 0 1 HJAF Clc1ccc2nc(-c3ccc(N4C[C@@H]5C[C@H]4CN5c4ccccc4)nc3)[nH]c2c1 1772648769 PRYXYUBCCWDGEO-OALUTQOASA-N 401.901 4.746 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)c5cccs5)sc4C[C@@]3(C)CC[C@H]12 2356464423 JLZNMYYUCJBSSU-ZNNGOOCZSA-N 416.568 4.711 0 1 HJAF C=CC1=CO[C@]23C[C@H](OC(C)=O)[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@H]2C[C@@H](O)CC[C@@]21C 2356536222 HEVBJYCZSNXYKU-JMJDOEMJSA-N 400.559 4.771 0 1 HJAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCCOC 2356598525 SVIXFVXVFZFGKC-FKBYEOEOSA-N 409.611 4.572 0 1 HJAF COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 2356723686 QUPJKFGWIMFJOA-HZPDHXFCSA-N 414.498 4.612 0 1 HJAF N[C@H](Cc1ccccc1)c1csc(NC(=O)c2cccc(OC(F)(F)F)c2)n1 61906380 LWPVKJGVPMMUTC-OAHLLOKOSA-N 407.417 4.537 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4041535 MLSURWXIZDSBDQ-ISKFKSNPSA-N 407.558 4.884 0 1 HJAF Cc1ccc(C(=O)Nc2ccc(N3CCC(NCc4cc(C)no4)CC3)cc2)c(C)c1 12149805 LXRZTXYWOWZELF-UHFFFAOYSA-N 418.541 4.611 0 1 HJAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 13560159 OHZRADJFNIULBZ-UHFFFAOYSA-N 423.384 4.882 0 1 HJAF O=C(c1ccco1)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1 27741179 BJRDISIRIPRCBB-UHFFFAOYSA-N 409.917 4.682 0 1 HJAF CCCCn1c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n[nH]c1=S 28525384 NOPOORGFHQZTPJ-UHFFFAOYSA-N 407.948 4.894 0 1 HJAF Cc1nc(N2CCCC2)ncc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 28863053 DWAOPDWPKFXRII-GOSISDBHSA-N 401.558 4.627 0 1 HJAF CCCCOCCCN[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 40953544 FYWPVNDECDVWLR-UBFNLWAXSA-N 421.666 4.526 0 1 HJAF CNCC[C@H](c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12 64454414 ZXMRPSJTSMBYHQ-JOCHJYFZSA-N 404.554 4.761 0 1 HJAF O=C1Nc2ccc(Cl)cc2/C1=C/NCCCNc1ccnc2cc(Cl)ccc12 66123462 SOMOXIQLDGUEIX-ATVHPVEESA-N 413.308 4.926 0 1 HJAF Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc3ccccc3s2)c1 82173457 IYPHKXFHMFXFMN-UHFFFAOYSA-N 402.523 4.690 0 1 HJAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc3ccccc3c2)cs1 82195304 KVFSYIFQBQLEBZ-FQEVSTJZSA-N 411.571 4.943 0 1 HJAF Cc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O 82231664 NQMILOFZQPFIMF-UHFFFAOYSA-N 408.505 4.729 0 1 HJAF CC(C)(C)NC(=O)[C@H](c1c[nH]cn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95594881 MESBDSHAAOLHLD-FQEVSTJZSA-N 422.529 4.603 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5ccccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175155 NSPYKRDDGBDZCC-LAUBAEHRSA-N 402.519 4.514 0 1 HJAF O=C1O[C@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOC1CCCCC1 96939315 SUBFCXYXGCPPCW-SFHVURJKSA-N 408.498 4.870 0 1 HJAF O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100101775 RZQHJILGLACMBO-NUNAXRQHSA-N 423.438 4.743 0 1 HJAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 104141580 UZAIYWUDAMKXAD-SOLBZPMBSA-N 409.555 4.524 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cnc(C)c(Cl)c3)cc1[C@]21N=C(C)C(N)=N1 166362767 FSPVOBOVPOEPEV-PBSMCPNCSA-N 422.960 4.826 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@]21C 169713524 LGKOHXBHQYUHPI-LXUYYHBKSA-N 404.595 4.554 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2ccc(Cl)nc2)NC(=O)N1 206447094 URZXRDLIESBEPT-GOSISDBHSA-N 407.886 4.515 0 1 HJAF Fc1ccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)cc1 223663059 FLPNHFFHOYCELN-CQSZACIVSA-N 424.480 4.549 0 1 HJAF N#Cc1ccn(-c2ccc(Cl)cc2)c1COc1ccc(CCC(=O)O)c(F)c1F 225918848 PWVDJIIRDIZEBP-UHFFFAOYSA-N 416.811 4.877 0 1 HJAF C[C@@H](C(=O)NCCc1c[nH]c2ccc(O)cc12)c1cccc(C(=O)c2ccccc2)c1 299820681 HMKYXELNLAZYII-QGZVFWFLSA-N 412.489 4.567 0 1 HJAF CCOC(=O)c1sc2ccc(N)cc2c1NC(=O)c1ccc(C(F)(F)F)cc1 299854545 ABDQHVCFTWOBQO-UHFFFAOYSA-N 408.401 4.931 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cccc(F)c3[nH]1)C(=O)OC2 586915048 GSJRQDKEMBPXMZ-GHXNOFRVSA-N 410.445 4.517 0 1 HJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)c1OC 586991532 KUDOBKGLZCCKPH-UHFFFAOYSA-N 413.429 4.845 0 1 HJAF O[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl 587058482 GSVJPOZOEYXFDS-CYBMUJFWSA-N 421.600 4.959 0 1 HJAF CC(C)(C)c1cccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587184919 HOBJFPWWIXRWFO-HNNXBMFYSA-N 419.310 4.708 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(OC)cc(C)c4N)[nH]c3c2)cc1 587249620 PGUVYEQXDAAULM-UHFFFAOYSA-N 403.438 4.708 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccc1N)O2 587374397 XNPJONIQWMHFCU-JOCHJYFZSA-N 423.310 4.831 0 1 HJAF C=CN1CCCC[C@@H]([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394912 KAOHWPDEWJXODS-CJFMBICVSA-N 404.510 4.519 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587421944 MQLSQUCWQQBGOM-XOBRGWDASA-N 400.356 4.593 0 1 HJAF COc1cccc(COc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 587445069 WHUGRNRUGNHBBY-PXDATVDWSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(C[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587474935 ILDRFUNQAGZQCD-IQMFZBJNSA-N 403.519 4.858 0 1 HJAF CCCCC[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581784 MRSNVDPXNNFDNZ-XUZZJYLKSA-N 406.482 4.872 0 1 HJAF Cc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676814 FWNLPTJPWKFVMI-ZKANADHPSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587700179 LWTTZQJNEYPQSH-WYRIXSBYSA-N 420.713 4.791 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1 587752710 FGAVTHNKQQJEER-FKIZINRSSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](c3ncccc3O)C2)N1 587772811 OWWNPEMMWPNPKF-MTJIALIYSA-N 405.311 4.776 0 1 HJAF COc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)sc2c1 587869777 RNGRIMKQRBGTMX-UHFFFAOYSA-N 406.389 4.580 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C 587871286 SEQSIZCCUDGTLS-LBPRGKRZSA-N 410.371 4.513 0 1 HJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cc(C(F)(F)F)c4[nH]1)(C3)C2 587968485 DSKRNZDXHSSLJB-JIIRDLKHSA-N 413.237 4.991 0 1 HJAF COc1cc2c(cc1OC)[C@]1(C=C(NNc3ccccc3)C[C@H](C)C1)N(C)[C@@H](C)C2 962557494 AAJKEBNUUVUQNH-RPPIVITFSA-N 407.558 4.706 0 1 HJAF CCC[C@]1(CCC(=O)OCC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641633 OOJXRBWKASIROP-BVAGGSTKSA-N 406.570 4.772 0 1 HJAF CSCc1cnc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962952344 GXJGJESPTFEKMQ-MRXNPFEDSA-N 414.518 4.766 0 1 HJAF COc1cccc2cc([C@@]3(c4ccccc4)NC[C@@H]4CC(=O)N(C)c5cccc3c54)oc12 963023724 KOXWBRPDNWUIPD-MYUZEXMDSA-N 424.500 4.787 0 1 HJAF Oc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(I)c1 963123047 PELUKAHQKGIFSB-HNNXBMFYSA-N 420.077 4.539 0 1 HJAF O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cn2)cc1 1772617581 IGYITFLQCJEIPG-UHFFFAOYSA-N 420.440 4.764 0 1 HJAF O=C1N(Cc2ccccc2Cl)c2cscc2S(=O)(=O)N1Cc1ccccc1 1903975 CQLNTEIZHVCHLO-UHFFFAOYSA-N 418.927 4.733 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4207558 NVKANAZLWMNUDF-GGAORHGYSA-N 422.912 4.738 0 1 HJAF CC(C)CC(C/C=C1\C[C@@](CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C 13684003 BKNVHJDEURXREP-QTUJNPFGSA-N 402.531 4.546 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@]12C 26385598 NVBZLUSKXDCJBQ-MJPSLFSXSA-N 402.623 4.580 0 1 HJAF Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1C[C@H]1SC(=O)NC1=O 45389210 ZAMASFSDWVSMSY-CYBMUJFWSA-N 416.808 4.749 0 1 HJAF in-vitro O=C(c1ncc(C2CC2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1 64548657 RVQRMTDNDAQONL-QHCPKHFHSA-N 413.521 4.761 0 1 HJAF COc1ccc(CCN[C@@H](C)COc2c(C)cc(Br)cc2C)cc1OC 66166921 OJCTYKMBYFQSLO-INIZCTEOSA-N 422.363 4.683 0 1 HJAF CC1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)CC1 82133349 PPPWCYKVRPHNDW-UHFFFAOYSA-N 418.516 4.809 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1ccccc1F 82152061 OZFWCHSSZHFCDP-UHFFFAOYSA-N 406.505 4.710 0 1 HJAF CCOC(=O)[C@H](Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115654694 YPYWYMKYEXLQSN-LJQANCHMSA-N 405.885 4.939 0 1 HJAF COc1cc(-c2ccc3ncnc(Nc4cccc(NC(C)=O)c4)c3c2)ccc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c1ncccn1)c1ccc(-c2ccccc2)cc1 299862588 JVMVFEBSVMTHQQ-LWZKNFMGSA-N 414.553 4.654 0 1 HJAF C[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCC1OCCO1)CC3 587210769 HNUHGKBHKAGNDD-OAHLLOKOSA-N 412.530 4.615 0 1 HJAF CC(=O)N(C)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587338081 PLODCZSFVTZCGF-UKILVPOCSA-N 419.452 4.788 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1Br)CC2=O 587455816 GNGNXLXOAQNJMU-HXUWFJFHSA-N 405.288 4.996 0 1 HJAF Cc1nc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549416 WVHHEEBVZATFCK-FXAWDEMLSA-N 412.239 4.561 0 1 HJAF CCC(C)(C)c1ccc(OCc2nc3cc(I)cnc3[nH]2)cc1 587564696 OSAOMWNUCMIHNU-UHFFFAOYSA-N 421.282 4.829 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC 587695813 SDWJMWJRJZZBLW-XYZCENFISA-N 414.702 4.882 0 1 HJAF COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC 587696609 LLMSUGIVCTVKBV-XYZCENFISA-N 414.702 4.882 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587703255 GLEWYKOBBUXXRP-XYZCENFISA-N 408.702 4.821 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F 587717974 MVAXGNJCQDFLDK-VVVCHXIZSA-N 416.237 4.822 0 1 HJAF CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794846 HKGXBXMNXZBSKP-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@]2(O)c2ccc(C)cc2)cc1F 653793037 YVRJVRQLJZLXJD-VWLOTQADSA-N 418.468 4.547 0 1 HJAF Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962714976 SMNGQEBZISCKBX-UTKZUKDTSA-N 418.390 4.698 0 1 HJAF CCC[C@@]1(c2ncccc2Cl)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962723258 YWTAYTGIUQGTJY-CRAIPNDOSA-N 416.802 4.536 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@@]2(CCCOc3c2ccc2ccccc32)N1)C(F)(F)F 962730666 OSQMYDPZBXKUOC-NFBKMPQASA-N 411.423 4.902 0 1 HJAF CCCCC[C@@H]1C[C@]2(C=C(C)[C@@H]1C(=O)OC)N[C@@H](C)Cc1c(OC)ccc(OC)c12 963603277 CBWRSHRRQAOBIC-UZIDKSDLSA-N 415.574 4.769 0 1 HJAF COc1cc(N(CC2CC2)c2ccc3ccccc3c2)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772618817 CLIHVYIXCIRSKQ-RTWAWAEBSA-N 416.477 4.695 0 1 HJAF COc1cc(-c2cncc(Nc3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC 1857589141 VJNFSEQPVCLWJT-UHFFFAOYSA-N 405.376 4.932 0 1 HJAF CC1=C[C@H](CN(C)CCN(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356302168 NLJGHDRVMGNAPD-YTFSRNRJSA-N 410.606 4.627 0 1 HJAF CC(C)=CCC[C@@]1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@@H]1O 2356396249 FVQOXJFGJXBAIU-WIOPSUGQSA-N 422.477 4.672 0 1 HJAF CC[C@@H]1O[C@H](c2c(C)cc(C)cc2C)O[C@]1(C)[C@@H](O)[C@@H](C)COC(=O)C(C)(C)C 2356471895 DYBDTNQGVPNWTP-JHCRBYMJSA-N 406.563 4.781 0 1 HJAF CO[C@@H]1C[C@H](CC[C@]2(C)[C@H](C)CC[C@@]3(C)C(COC(=O)CC(=O)O)=CCC[C@@H]32)CO1 2356518130 GVDOCINBIYBYHQ-FERAVKOQSA-N 422.562 4.572 0 1 HJAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@H](C(C)(C)O)CC[C@@]2(C)C=C[C@H](C)C1 2356654121 OGZZCBZNOLKSNJ-CPNXEROCSA-N 406.563 4.586 0 1 HJAF COc1ccc(-c2cc3c(N)ncnc3nc2-c2cccs2)cc1Br 1488948 MIOPCKKTKOHHHE-UHFFFAOYSA-N 413.300 4.774 0 1 HJAF c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1 3813929 LSZYSKUEBVDYTO-UHFFFAOYSA-N 412.537 4.821 0 1 HJAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4036858 DRRJSUPVGBQYCY-AOYPEHQESA-N 421.500 4.830 0 1 HJAF O=C(NO[C@@H]1CCCCO1)Nc1csc(Cc2c(Cl)cccc2Cl)n1 12354927 PQSZGZYJVYNDAS-OAHLLOKOSA-N 402.303 4.620 0 1 HJAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CSCCOC(=O)c2ccccc2)C1 13584849 GBRACIWJCUBBNF-TZIWHRDSSA-N 403.975 4.966 0 1 HJAF O[C@H](CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1 14966889 WYXMCHIEHJQNKM-GOSISDBHSA-N 418.356 4.913 0 1 HJAF N[C@@H](NC1CCC1)c1ccc(-c2ccc(-c3ccc([C@@H](N)NC4CCC4)cc3)o2)cc1 19321368 PSIYSVRPSISUSW-UIOOFZCWSA-N 416.569 4.812 0 1 HJAF in-vitro CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)n1N 40393445 MBUKKHRULWTEMQ-UHFFFAOYSA-N 406.902 4.731 0 1 HJAF COc1cccc(C(=O)[C@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 45188118 MMNBLWWOPKBGPM-DJPFJPOOSA-N 422.352 4.876 0 1 HJAF N[C@H]1CCCN(Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1 45302807 XUMUFGJHKJRDSF-QFIPXVFZSA-N 400.501 4.959 0 1 HJAF CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccccc3)CC2)o1 53294410 MQIIGMQKJKKPHV-UHFFFAOYSA-N 418.585 4.596 0 1 HJAF COP(=O)(OC)[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1 73220175 CHZZDTKZVMBVDU-LJQANCHMSA-N 411.822 4.637 0 1 HJAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82178685 VUNNQXZXBLQWIF-HXUWFJFHSA-N 406.578 4.826 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190650 JATKQNRWGVYJTD-LJQANCHMSA-N 408.550 4.705 0 1 HJAF O=C(/C=C/c1ccccc1)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 84687962 JPCMBQPRNAXKSH-CCEZHUSRSA-N 412.533 4.623 0 1 HJAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(=O)NC3CC3)c1)c1ccsc12 167789263 DWVRDZVQQPBNFG-UHFFFAOYSA-N 403.463 4.784 0 1 HJAF Fc1cccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)c1 198393427 CUJMYQJTCDVHFY-UHFFFAOYSA-N 408.440 4.900 0 1 HJAF COc1cc(CNCc2ccncc2)ccc1OCc1ccc(C(F)(F)F)cc1 299832386 GDOIDDPOMPKERI-UHFFFAOYSA-N 402.416 4.978 0 1 HJAF CCOc1ncc(CN2CCC(N(C)Cc3c(Cl)cccc3Cl)CC2)s1 299862229 MRFQUEZUCOOVFV-UHFFFAOYSA-N 414.402 4.945 0 1 HJAF COCCc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586993978 NSMNZKWGSWTYRD-UHFFFAOYSA-N 402.475 4.773 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2 587032291 SKWJOFGPIJTDSH-CBQSTYFFSA-N 410.528 4.566 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 587076474 LWUPEHXZQKOMOZ-CYBMUJFWSA-N 416.737 4.882 0 1 HJAF CCOc1ccccc1[C@](N)(c1nc2ccc3nc(C)ccc3c2[nH]1)C(F)(F)F 587092902 OQWJSIFNPDYUHI-FQEVSTJZSA-N 400.404 4.583 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(N)sc3c1CCSC3)O2 587413193 FLCQEWXWLAKBQR-HSZRJFAPSA-N 422.575 4.919 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(Br)c1N)CC2=O 587455418 BSJSUQGQEBSCBM-HXUWFJFHSA-N 420.303 4.579 0 1 HJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 587568608 HTFOLHKDIUIBHW-HYBUGGRVSA-N 406.409 4.950 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccncc2)s1 587613442 OUWGJIRYRXCAOI-WIYYLYMNSA-N 402.431 4.614 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncc(Br)c2)N1 587686240 SQSSQWJTKRVSTA-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3F)c2)N1 587726861 LUEAIXSJDJQMPY-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(F)cc3)C2)N1 587731618 HRRPYRKVYKZDPR-RWCMSOCESA-N 420.297 4.994 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3)n2C)N1 587753129 HZYLWIZCHYYSKO-HXPMCKFVSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1 587835192 OBRHIGBNVOIJNL-LTKVMPMFSA-N 418.306 4.699 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc(Cl)ccc2[nH]1 587869017 XKTDRUJAPRTUMM-UHFFFAOYSA-N 420.778 4.796 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1cc(F)c(Br)cc1C)N(C)[C@H](C)C2 962575009 VFURMIBQKDTTFX-CWTRNNRKSA-N 408.311 4.880 0 1 HJAF CN(C)Cc1csc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962646333 ZLJQTIPRVBKRHE-DHLKQENFSA-N 403.595 4.646 0 1 HJAF COc1cc(Cl)c([C@]2(C)c3cccc(Br)c3CCN2C)cc1OC 963282883 ZLXYXVXPOCTHIA-IBGZPJMESA-N 410.739 4.871 0 1 HJAF CO[C@@H]1OC(=O)C2=C[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]21 1857535522 IJBOCWFTWIQMQW-NLFYUQFTSA-N 410.510 4.530 0 1 HJAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccccc4)CC3)c2)cc1 1857638710 UBISEXDTBVRYHF-UHFFFAOYSA-N 400.478 4.598 0 1 HJAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@H]12)C(=O)O[C@@]4(O)C[C@@]3(C)O 2356565766 KNMOPFLBPXTWRO-DAVLUPQPSA-N 400.559 4.530 0 1 HJAF CSc1ccccc1NC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61908833 DRTOSVGTOWIVGF-FQEVSTJZSA-N 423.365 4.888 0 3 HJAF O[C@@H](CCN1CCN(c2ccnc3ccccc23)CC1)c1csc2ccccc12 13491128 PBPHATQMCCALEO-QHCPKHFHSA-N 403.551 4.695 0 1 HJAF COc1cc2c(cc1OC)Oc1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2 14440869 CKHVKQDEOBZNIX-UHFFFAOYSA-N 408.406 4.679 0 1 HJAF biogenic O=C(Nc1nnc(-c2ccccc2)o1)[C@H](SC(=S)N1CCCC1)c1ccccc1 31905221 CGTJIVDKIZSKBK-QGZVFWFLSA-N 424.551 4.530 0 1 HJAF Clc1ccc(-n2nc(OCCN3CCOCC3)cc2-c2ccccc2)cc1Cl 35919510 UFMLSFNIQLSGBU-UHFFFAOYSA-N 418.324 4.557 0 1 HJAF C[C@H]1CN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCN1Cc1cccc(F)c1 45186720 DVMGUFSSYSUUKQ-SFHVURJKSA-N 421.491 4.928 0 1 HJAF O=C(O)c1cn(-c2ccccc2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O 72112975 WDAUMDLSAJOINS-UHFFFAOYSA-N 423.827 4.778 0 1 HJAF COc1cc(CNc2cc(Oc3ccccc3Cl)ncn2)cc(OC)c1OC 82067488 ODOQUNISOYUTBV-UHFFFAOYSA-N 401.850 4.560 0 1 HJAF CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCc3cccs3)ncnc21 82221695 PGSXEPIBGUXLPX-MRXNPFEDSA-N 412.607 4.573 0 1 HJAF O[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 115457193 PXLSBJXLXDNYKQ-SJORKVTESA-N 412.896 4.874 0 1 HJAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2n[nH]c3ccccc23)n1 118595097 PQGIBCBRNQMWHR-HXUWFJFHSA-N 418.522 4.819 0 1 HJAF Cc1cc(C(=O)Nc2cc(Br)cc([C@]3(C)CCSC(N)=N3)c2)c(C)o1 141346956 MTQUNEVSXBMCID-SFHVURJKSA-N 422.348 4.578 0 1 HJAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCCCCC2)n2c1CCCC2)c1ccccc1 146112015 DYSOTKGVGDRZHJ-OAQYLSRUSA-N 407.558 4.722 0 1 HJAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 169692760 VYXYBKWIYQGIEA-YFXQSZDRSA-N 417.505 4.944 0 1 HJAF CNc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O 204097924 ZRFUUKXZQLSYNO-UHFFFAOYSA-N 416.884 4.657 0 1 HJAF Oc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CCOCC2)cc1 586913082 MDVNLKBOQZQXMS-UHFFFAOYSA-N 412.795 4.917 0 1 HJAF COc1cc(Br)c([C@@H](N)c2nc3cc4ccccc4cc3[nH]2)cc1OC 586975027 JCAILDJRUGDLCU-LJQANCHMSA-N 412.287 4.544 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)cnc4[nH]3)c(Cl)cc12 587078481 SDEHABDVIWJPND-JTQLQIEISA-N 401.825 4.949 0 1 HJAF Fc1cc(Br)ccc1-c1nc2ccc(I)cc2[nH]1 587142630 IKHKLZYAEKKGST-UHFFFAOYSA-N 417.019 4.736 0 1 HJAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587247873 VZBAIAYLXBQNGC-UHFFFAOYSA-N 400.482 4.679 0 1 HJAF CCn1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587332485 QVIILMJIZOYNBG-RXVVDRJESA-N 400.837 4.675 0 1 HJAF CC(=O)c1c(C)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587343645 CZSKAJWSFRXUAP-URXFXBBRSA-N 407.441 4.953 0 1 HJAF CCCCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447353 QQJXFTOQZLZZIN-CJFMBICVSA-N 408.494 4.936 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)[C@@H](C2)C3=O 587449155 FGFHDDMGWUPULH-IINYFYTJSA-N 422.890 4.641 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1cc(C(=O)OC)ccn1)CC2=O 587485796 KQGNQNFZVQNKJC-KOSHJBKYSA-N 409.482 4.588 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ncc(-c3ccco3)[nH]1)(c1ccco1)CC2=O 587487850 XNEWYTLEZDVMOX-QHCPKHFHSA-N 404.422 4.830 0 1 HJAF O=C(O)c1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587496182 HJNULPWLNMHDEN-GOSISDBHSA-N 401.256 4.733 0 1 HJAF C[C@]1(c2occc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537917 BTAZPMHHNXTYIG-KXBFYZLASA-N 401.212 4.625 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(CC(F)(F)F)s1 587546842 KDQMNZGRLUDFPS-YJBOKZPZSA-N 407.369 4.656 0 1 HJAF Nc1ccc2c(c1)-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577294 JZDHLXJNTONOMH-BVAGGSTKSA-N 407.425 4.860 0 1 HJAF Cc1ccc([C@]2(c3occc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579777 PQVSZAVHXFPNBS-OFVILXPXSA-N 413.429 4.781 0 1 HJAF O=C(c1c(F)cccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656047 VAYOEZWCQOOYJA-UHFFFAOYSA-N 414.770 4.823 0 1 HJAF Cc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br 587682739 VDAKCUAEJPROBM-ZKANADHPSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1 587731863 LMMBXMQAAOPINY-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF Cc1ccc(-n2cccn2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587762375 YDIKIXLIPKZOKA-ZUOKHONESA-N 400.295 4.706 0 1 HJAF COc1ccc([C@H](C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809613 UKQZKEVEYKCTGL-XAAFQQQXSA-N 408.311 4.984 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587826112 GJZUWOLHNQOBMA-SZNDQCEHSA-N 420.322 4.848 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncnc(Cl)c3s2)N1 587854065 BHJVXWCZTZNGNR-WJWGPLDTSA-N 412.715 4.870 0 1 HJAF C[C@H](Oc1cccc(Br)c1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587872186 JVHSPZYZYOUIRY-JTQLQIEISA-N 403.207 4.665 0 1 HJAF CC[C@]1(c2ccc(O)c(N)c2)c2cc(OC)ccc2CCN1Cc1ccc(F)cc1 963303533 QBSPFLDCHWKFRZ-VWLOTQADSA-N 406.501 4.834 0 1 HJAF O=C(c1ccc(Cl)cc1Cl)N(CCN1CCOCC1)c1ccc(Cl)cc1 1772631603 IGLNCSUOPJRRGC-UHFFFAOYSA-N 413.732 4.626 0 1 HJAF CCCCCCc1ccc(-c2cn(Cc3cc(=O)oc4cc(O)ccc34)nn2)cc1 1772642382 CKOPJVJYLUAOFB-UHFFFAOYSA-N 403.482 4.928 0 1 HJAF CCc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c(=O)c3CN2c2ncccn2)s1 1857762381 LPXOJQBTADAVAM-IBGZPJMESA-N 408.914 4.705 0 1 HJAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3cccc(C(N)=O)c3)ccc2N1C(C)=O 1857764058 LRSBCNAWSPLFLL-HSZRJFAPSA-N 413.521 4.604 0 1 HJAF COC(=O)CC[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C 590018 MCTILYQGJNAZGL-GOSISDBHSA-N 411.864 4.819 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 26568485 RCXGNJNDQYAWDC-CMFMRBSSSA-N 422.606 4.890 0 1 HJAF C[C@@H](C(=O)O)c1ccc(Cc2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc12 26580338 IMLMRXHSSZSAAG-CYBMUJFWSA-N 402.899 4.676 0 1 HJAF CCOC(=O)c1c(SC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N 28361386 ZWJGDMSWCKASII-UHFFFAOYSA-N 414.236 4.679 0 1 HJAF O=C(CN1C(=O)S/C(=C\c2sc(Cl)nc2Cl)C1=O)c1ccc(F)cc1 28650477 XBTIGEPSMVLEJD-WZUFQYTHSA-N 417.270 4.508 0 1 HJAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@@H]2CC[C@H]1N2C 36271341 LUFCSMMNKWCPJV-YIOZNXECSA-N 420.372 4.917 0 1 HJAF COc1ccc(NC(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)cc1 40918391 MKOFLNWEPYSITR-UHFFFAOYSA-N 400.478 4.815 0 1 HJAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2cccs2)CCCO1 103205070 UVBBVRQSAABLTP-QGZVFWFLSA-N 401.594 4.633 0 1 HJAF CCOC1(c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1 142135165 AILGYZAYHCUUOO-QFBILLFUSA-N 410.518 4.657 0 1 HJAF CC(C)N(CC[C@](CCN1[C@@H](C)CCC[C@@H]1C)(C(N)=O)c1ccccc1F)C(C)C 145383940 ONEJDEZBRATPQC-STWLZBDKSA-N 419.629 4.711 0 1 HJAF CC(=O)Nc1ccc(-c2noc(C[C@H]3CCCN(Cc4cccc(F)c4C)C3)n2)cc1 230563986 XFSYGJBPBTWLFR-GOSISDBHSA-N 422.504 4.597 0 1 HJAF CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261081079 BRANQVYSEMSFOV-XUTJKUGGSA-N 414.590 4.706 0 1 HJAF CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1 299859111 WBLGLTDVRSSMGF-UHFFFAOYSA-N 423.387 4.610 0 1 HJAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586914890 ZGHNKWXSIPJTPO-FXAWDEMLSA-N 404.470 4.961 0 1 HJAF COc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1OC 586958578 GRQIAENZXFXQJU-LJAQVGFWSA-N 406.507 4.618 0 1 HJAF CC(=O)Oc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586992136 OPHTYZHDHORQHJ-UHFFFAOYSA-N 409.441 4.862 0 1 HJAF COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2sc3ccccc3n12 587414361 MACHKWHHZFEZBR-GOSISDBHSA-N 406.463 4.538 0 1 HJAF COc1cccc(-c2nc3sccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587453431 QRNRTBPTBXCBSI-OPAMFIHVSA-N 418.474 4.569 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Nc2ccccc21 587488225 YWWRNIRMJLBFJU-JYFHCDHNSA-N 413.473 4.941 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccnc1 587569606 INUCEMHNJDXTRQ-DHLKQENFSA-N 413.404 4.832 0 1 HJAF C[C@@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617516 JYEYRLIHKAUNOK-AVRDEDQJSA-N 405.431 4.585 0 1 HJAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2c(C)cc(Cl)cc12 587624486 KCWMMCAWNIPZGJ-UHFFFAOYSA-N 400.862 4.733 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc3c2OCOC3)N1 587698442 OGTKGDGNMNBFHB-VVVCHXIZSA-N 412.686 4.732 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccccc2F)N1 587727289 NKKUBEIAWYPAJB-DGIBIBHMSA-N 404.258 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CN2CCCC2)N1 587766006 LVGDEPNNVRGUIC-SPLOXXLWSA-N 403.339 4.808 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccncc3)s2)N1 587852739 IIGKJFHNGTVQAJ-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 587952573 TZMYYKJZSLNEOZ-UNXYVOJBSA-N 407.383 4.690 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@](Cc3ccncc3)(c3ccc4ccccc4c3)c3cccc1c32 963028671 PDXRJKZTQBCHLM-DFHRPNOPSA-N 419.528 4.774 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(C)c1cnc(-c2cccnc2)s1 963289251 KKQCHIDJZQASEL-LJQANCHMSA-N 400.345 4.719 0 1 HJAF COc1c(OCC=C(C)CCC=C(C)C)cc(O)c2c1[C@H](OC(C)=O)[C@@H](C)OC2=O 2356580823 BFVQDTCEZTWFDK-QVKFZJNVSA-N 418.486 4.635 0 1 HJAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC1(CCCCC1)O2 2489083 LANXGUFLPYSTFB-QHCPKHFHSA-N 422.569 4.769 0 1 HJAF CC(C)=CCc1cc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(O)cc1O 14727584 DOIZJNYCODFLMO-GOSISDBHSA-N 424.493 4.885 0 1 HJAF biogenic COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 27210918 LSRPJNTWHNCYBF-CKFKOSIMSA-N 407.602 4.587 0 1 HJAF CO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)O 28361793 CFJFKSKRLAYDHM-DEOSSOPVSA-N 406.478 4.844 0 1 HJAF O[C@H]1COc2c(Cl)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127269 AHWOQIIPUGRKNG-CYBMUJFWSA-N 421.806 4.855 0 1 HJAF COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1 34104671 FXJUUBGKHDHCBO-UHFFFAOYSA-N 401.418 4.715 0 1 HJAF biogenic CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3Cc3cccc4ccccc34)nc2C1 40406162 ZVNRYRQQVKJSFS-SFHVURJKSA-N 406.551 4.899 0 1 HJAF O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1 40848293 HKRXVIMQFWPWEO-UHFFFAOYSA-N 411.914 4.680 0 1 HJAF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCC1=O 49073153 IYRRWQZJVHAWNG-RSQMYVMBSA-N 408.501 4.702 0 1 HJAF C[C@@H]1CC[C@@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 64502280 IDEDPGPONCPOBU-DOVSJBTNSA-N 414.343 4.759 0 1 HJAF O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 66259040 HVDGTKDGKGGPLS-XSARVHFWSA-N 414.530 4.656 0 1 HJAF CC1CCN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2F)CC1 82152857 AYSOPOOGBFUJRZ-UHFFFAOYSA-N 404.489 4.767 0 1 HJAF Cn1cccc1CN(Cc1ccc(O)c2ncccc12)Cc1ccc(O)c2ncccc12 95541576 MWQQDFCCFLKKIZ-UHFFFAOYSA-N 424.504 4.735 0 1 HJAF C[C@@H]1[C@H]2CC[C@H](CO)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 137919489 PHPBOUSFBOILOX-WGVCLDRHSA-N 413.646 4.627 0 1 HJAF C[C@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586960852 CTMAAKIESFUQDU-ZETCQYMHSA-N 419.226 4.867 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(Br)c3[nH]2)cs1 587019443 NDKRSDCEJDUIKD-UHFFFAOYSA-N 409.309 4.720 0 1 HJAF Cc1c(-c2nc3c(F)cnc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075913 OLYBWMLHRJTBLM-UHFFFAOYSA-N 406.646 4.674 0 1 HJAF O=C(COc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccccc1F 587154834 SIQKUQMDJGEILZ-UHFFFAOYSA-N 414.799 4.574 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 587167420 MTXIWTSOUNTPTH-UHFFFAOYSA-N 422.894 4.588 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587348562 DLDYZDSNYAYEFG-ZCYQVOJMSA-N 420.436 4.959 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3ccc(Br)cc31)CC2=O 587461089 WJKYSCUORMPFED-FQEVSTJZSA-N 401.256 4.874 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)CC2=O 587477334 QMBGUIYJMWKQSI-WNSKOXEYSA-N 403.519 4.858 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl 587557814 OQBXCHKHOHILNA-WIYYLYMNSA-N 400.789 4.896 0 1 HJAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593223 KRNKZGDVOHUAIS-YKSBVNFPSA-N 420.417 4.805 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cs1 587612972 LWAJLYWAVRIVKV-MAUKXSAKSA-N 403.253 4.919 0 1 HJAF Cc1ccc(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587662069 UFNZCUCSWHJOPM-UHFFFAOYSA-N 404.466 4.944 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2c(Cl)ncnc2Cl)N1 587704569 JKASGMRRMPOEMQ-FUXBKTLASA-N 405.098 4.503 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587711448 GUAVNGMMZOXYIC-VPTHRUTESA-N 403.217 4.934 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCCC2)N1 587717639 GJXWVBXEPHABJR-YUNKPMOVSA-N 407.302 4.951 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725282 OOMDMDVIBVDEJS-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587759986 NKFPDGLEUBXKKM-ZUOKHONESA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncccn3)cc2)N1 587775911 UYPTXNVTJXKBFQ-BUXKBTBVSA-N 414.278 4.794 0 1 HJAF CCCCSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587845859 ONHDKBPETIGTEC-DIFFPNOSSA-N 410.356 4.894 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1 587859854 NHPSWGRUCCETNC-UHFFFAOYSA-N 416.268 4.662 0 1 HJAF Cc1ccc([C@]2(CC(=O)C(C)(C)C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962703395 BLOQZQCJPKJTPY-CVDCTZTESA-N 417.471 4.890 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1 962969201 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DAKPITMJALLHHF-UHFFFAOYSA-N 409.965 4.839 0 1 HJAF Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1 49036120 NOHJOTARDCVDLY-FQEVSTJZSA-N 422.532 4.956 0 1 HJAF COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)C1=O 73199224 QLQDGQGXEOZRKZ-OAQYLSRUSA-N 415.533 4.629 0 1 HJAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C1 82217054 FEEYCIMMQCJYJO-MSOLQXFVSA-N 410.537 4.924 0 1 HJAF O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)C1CCCCC1 84634969 PBRSZGRQNRVBHT-UHFFFAOYSA-N 411.550 4.543 0 1 HJAF COc1ccc(SC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c(OC)c1 84690435 SXQDVBKNTASCPT-JOCHJYFZSA-N 423.578 4.859 0 1 HJAF O=C(O)[C@H](Cc1ccccc1)NCCC(=O)N1c2ccccc2C=Cc2ccccc21 103210370 NFIIAKHHCPQNTK-QFIPXVFZSA-N 412.489 4.511 0 1 HJAF Cc1ccc(-c2nnc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)o2)cc1 103278671 UTUREKOFIUBEJT-DTQAZKPQSA-N 406.445 4.915 0 1 HJAF COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1 103872921 XSAHEIZAQQKPCA-QFIPXVFZSA-N 403.482 4.846 0 1 HJAF c1cncc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)c1 117684588 NLIMRZVIIWRIGT-UHFFFAOYSA-N 408.469 4.690 0 1 HJAF C[C@@H]1[C@H]2[C@@H](O)C[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 136797496 RTCXOPGJLHDJMS-FOWFDDMESA-N 414.678 4.672 0 1 HJAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3Cc2ccc(F)cc2F)sc1C(=O)O 145076368 RTKQEVWLRIVNAC-UHFFFAOYSA-N 409.417 4.970 0 1 HJAF CC(C)COc1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 205150382 VNRQSKACLLUOAJ-HNAYVOBHSA-N 416.497 4.805 0 1 HJAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)nc2)cc1)C(=O)O 218549613 ILHPJIZRFYCRDU-UHFFFAOYSA-N 405.376 4.647 0 1 HJAF CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261133223 LOLIGPMPSPGNGJ-SFHLNBCPSA-N 414.590 4.706 0 1 HJAF CCc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586962374 WUVCFLZYTLREOP-WTOYTKOKSA-N 409.555 4.820 0 1 HJAF Nc1sc2c(c1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)CCOC2 586993118 FELRNRJXHZGPDW-UHFFFAOYSA-N 400.459 4.535 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587013372 MWBHHMRKRUVFMV-UHFFFAOYSA-N 405.243 5.002 0 1 HJAF Ic1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021772 PAFCRHDYNQUALB-UHFFFAOYSA-N 417.275 4.882 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cncc(OC)c4[nH]3)c(Cl)cc12 587077898 BRUCONQSGOPPSL-LLVKDONJSA-N 413.861 4.819 0 1 HJAF Nc1nc(Cl)c2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2n1 587113299 GQJYHQWKDAMXGK-UHFFFAOYSA-N 405.767 5.067 0 1 HJAF CC(C)[C@@H](c1nc2cncc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197308 DSHKADBRSZGGOR-KRWDZBQOSA-N 417.307 4.686 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587242684 PHKRGPOKSODMDF-UHFFFAOYSA-N 412.209 4.893 0 1 HJAF COc1ccc2c(c1F)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340906 ZNFJQXADQJHIGG-ZJSXRUAMSA-N 408.400 4.880 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@H](C)C1)O2 587396456 SJWGGYJBAZOMFS-LLJLJFOGSA-N 408.542 4.640 0 1 HJAF COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587437591 HNCBOMYGPFCJAO-AFMDSPMNSA-N 410.473 4.766 0 1 HJAF COC(=O)c1cccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587445386 YLVIXBIEXORMJB-QFQXNSOFSA-N 414.457 4.812 0 1 HJAF COC1=Cc2ccccc2[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccsc21 587449607 BSZYBVKUXOAHLN-KOSHJBKYSA-N 402.471 4.906 0 1 HJAF CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587481639 RETAJEYBPPAWMT-FGEFQMRMSA-N 400.515 4.994 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2ccccc2)CC1 587583081 QBNAVPZPYSTFKS-JYFHCDHNSA-N 415.489 4.635 0 1 HJAF Nc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586082 BBDQFPYTZIDSHI-PXDATVDWSA-N 412.445 4.649 0 1 HJAF Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c(C)c1 587651827 FKJLRNGLDDDFBA-UHFFFAOYSA-N 408.841 4.527 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2N)N1 587677000 JPQWBCYDPLGMLK-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]c1Br 587683313 OKSGJXHMZUXBLR-PWJLMRLQSA-N 416.132 4.785 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1 587709619 BQNHMAWTARKEEB-XYZCENFISA-N 417.244 4.987 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587731092 JWLYPLSHOSQAFR-FVINQWEUSA-N 403.270 4.933 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587808378 ZFQHFSQMNKTAOX-WIUDPPPLSA-N 414.322 4.766 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587852708 NDGSULPAXWXVJR-APPDUMDISA-N 424.383 4.967 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2cccc([C@]3(C)NCCc4ccc(F)c(C)c43)c2)cc1 962303890 YAOYMEXTGVBMLX-DEOSSOPVSA-N 424.541 4.653 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1[nH]c2nccc-2c(Cl)c1F 962400168 SQQJVMULMHKNDR-LJQANCHMSA-N 400.910 4.855 0 1 HJAF Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)Nc1ccc(F)c(F)c1 1857581673 BZQOGGQMOJBQAF-UHFFFAOYSA-N 423.391 4.700 0 1 HJAF CN(C)CCNC(=O)c1ccc(-c2cc(-c3cc4ccccc4s3)cnc2N)cc1 1857583578 IVYGRCJOYHGLTL-UHFFFAOYSA-N 416.550 4.504 0 1 HJAF O=C(/C=C/c1c(C(=O)O)[nH]c(-c2ccccc2)c1Br)Nc1ccccc1 13778853 TWVKCGLSUHTJEA-VAWYXSNFSA-N 411.255 4.794 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4Nc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@@H]1CC[C@@H]2O 17221363 CDGIYWNEIDGTBY-SNHSOGDCSA-N 409.549 4.952 0 1 HJAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1cccc(Cl)c1 27760544 KYUXHXGXHSKSHM-URXFXBBRSA-N 412.961 4.501 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCc2cccs2)C[C@H]1C 34114413 ZUTDWEZJQLTNOA-QUCCMNQESA-N 424.566 4.950 0 1 HJAF CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36153106 AMMUGGRFIMMQNM-IUUBWYSHSA-N 416.650 4.971 0 1 HJAF C[C@H](CCCCN(O)C=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C 49808182 JXVNUNRGEFBJOP-WOOVRTBCSA-N 419.606 4.615 0 1 HJAF CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccccc2-c2ccccc2)c1)C(=O)O 71332749 ZZZOPDYSYWKLLT-LJQANCHMSA-N 417.505 4.946 0 1 HJAF COC(=O)c1ccc2c(c1)c1c(n2CCCNc2cc(C)nc(Cl)n2)CCCC1 73159064 XPDCDRPWRAKEJF-UHFFFAOYSA-N 412.921 4.561 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 73223650 YIKPFKILJWCLFZ-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1 95565044 LSOBMBJHNCZRSG-QGZVFWFLSA-N 424.850 4.556 0 1 HJAF Cc1cccc(-c2[nH]c(CNc3ccc(C)c(C)c3)nc2-c2ccc3ncnn3c2)n1 113391495 SQJHFUVNLSNKRX-UHFFFAOYSA-N 409.497 4.719 0 1 HJAF CCCCCN1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 169294411 PBDLWYSUITYFND-JXSPYEIYSA-N 410.533 4.966 0 1 HJAF COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)Nc1c(C)cccc1C)c1ccccc1 299871164 XYAPWMVHNYRNSY-XMMPIXPASA-N 400.478 4.581 0 1 HJAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586952876 IXUYGOKEWUHFFR-UHFFFAOYSA-N 424.429 4.506 0 1 HJAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Br 586978217 ZFDJQCSQBQVPSJ-HWKANZROSA-N 409.186 4.826 0 1 HJAF CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C 587772104 VBGKBSRIZOCWCL-WVDJIFEKSA-N 405.311 4.600 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3ccccc3)CC2)N1 587824364 ZZWDPRLLKJQMRV-YJPTXTSQSA-N 404.323 4.780 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)ccc1Br 587869486 KPAJXWPHHQRQHE-UHFFFAOYSA-N 419.250 4.548 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@@]1(c1ccccc1)c1ncccc1C 961318390 GQYCDUQLFWQFPH-SANMLTNESA-N 402.538 4.585 0 1 HJAF COc1cc([C@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)ccc1C 963100605 KHRJXRFJBDIRTB-UQBPGWFLSA-N 411.517 4.908 0 1 HJAF COc1cc2[nH]cc(C(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)c2cc1OC 1772631345 PBBSECCMDFXSJF-UHFFFAOYSA-N 424.516 4.852 0 1 HJAF CCCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3nc(C)oc3C(C)(C)[C@@H]1CC2 1772633819 DZYQJHDHVOZGDZ-SQJMNOBHSA-N 410.558 4.876 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCC4)nc21 1857634683 ZNQAYBXPYCPXSY-UHFFFAOYSA-N 415.449 4.527 0 1 HJAF CC(=CCC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C)Cc1cc(C)co1 2356439951 IVRBZHGZUKMJJC-YOJAFSQSSA-N 412.482 4.719 0 1 HJAF CCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cc(OC)ccc1OC 201470113 DMIDVPDDCIJDJF-UHFFFAOYSA-N 418.493 4.899 0 3 HJAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 770888 QGVNAVAZXQTHNI-LDLFBNOTSA-N 422.456 4.787 0 1 HJAF CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 773704 HMCAPFXJQOZPRD-UHFFFAOYSA-N 420.843 4.689 0 1 HJAF CCCN1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn23)CC1 6748791 XNFDQLYVAHJXEB-UHFFFAOYSA-N 422.529 4.523 0 1 HJAF CN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1cccc(Cl)c1 6808398 PKCMNBWQVQCYKC-UHFFFAOYSA-N 403.912 4.632 0 1 HJAF CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1 28525506 HQVKFEYATUGVGI-AREMUKBSSA-N 415.489 4.551 0 1 HJAF COC(=O)[C@H]1CCC[C@@H](NCc2cc(/C=C\c3ccc(Cl)c(Cl)c3)[nH]n2)C1 40461409 AFUYHVGHOMOIJA-RUCLMCIISA-N 408.329 4.708 0 1 HJAF CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1-c1ccccc1 45285923 JRZUDXSXEGLTQU-OAQYLSRUSA-N 417.962 4.982 0 1 HJAF COc1cc([C@](C)(O)c2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 96168107 FWIIFTFKUCLUKC-RUZDIDTESA-N 414.509 4.510 0 1 HJAF COc1ccc(COc2ccc(-c3nn(CC[18F])cc3-c3ccncc3)cc2)nc1 102907029 RTNYSNRMZBOTJO-MIGPCILRSA-N 403.448 4.564 0 1 HJAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCNCC4)cc3)cc12 114711362 SYILDSHBDJWPPD-UHFFFAOYSA-N 423.586 4.573 0 1 HJAF CC(C)CN(Cc1ccc(-c2ccc(O)nc2)s1)S(=O)(=O)Cc1ccccc1 148825497 ALAKRHOLUAPWGW-UHFFFAOYSA-N 416.568 4.504 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C 169323884 CJNYDPBXKCGRGK-WGGXHLGMSA-N 402.623 4.580 0 1 HJAF COc1ccc2c(c1[C@@H]1CCCC(=O)N1Cc1csc(-c3ccccc3)n1)OCO2 223037764 JCLMFWJPHWKWTL-KRWDZBQOSA-N 422.506 4.801 0 1 HJAF CCCCC1=C2CCC=C[C@]2([C@@H]2C3=C(CC[C@@H]2O)[C@@H](CCCC)OC3=O)C(=O)O1 238784994 ONKAUHUGMINWJT-QNJCZANYSA-N 400.515 4.507 0 1 HJAF CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 299884411 TTXSNAOFKRPDSQ-FPOVZHCZSA-N 420.605 4.725 0 1 HJAF CCOc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc1 504148006 DXSWMNINNXBTCY-ZZTDLJEGSA-N 411.615 4.677 0 1 HJAF biogenic COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1OC 586986627 YJEPLCYDBGHCSJ-LJQANCHMSA-N 416.319 4.528 0 1 HJAF Brc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Br 587032435 VNWNHGDOSRSGFK-UHFFFAOYSA-N 414.122 4.889 0 1 HJAF CN1CCN(c2ccc3[nH]c(-c4ccc(COc5ccccc5Cl)o4)nc3c2)CC1 587065187 VJVVQBHEQCBKCK-UHFFFAOYSA-N 422.916 4.807 0 1 HJAF O=C(c1ccccc1)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085244 PNTNNNRCIRVSEC-UHFFFAOYSA-N 417.900 4.621 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 587170696 FTLBULQZTPWDSR-UHFFFAOYSA-N 421.375 4.587 0 1 HJAF Fc1ccc2c(-c3nc4c(I)cnc(Cl)c4[nH]3)coc2c1 587174736 LVHUHZPGLBFBIT-UHFFFAOYSA-N 413.577 4.768 0 1 HJAF O=C1C[C@@](C(=O)O)(c2c(Cl)ccc(F)c2Cl)Oc2c1ccc1c2CCCC1 587503614 HYKIDQBJTYLKNO-FQEVSTJZSA-N 409.240 4.957 0 1 HJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602856 ZIKSMPJGTHUIQN-QPPBQGQZSA-N 404.418 4.585 0 1 HJAF CC1(C)OCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O1 587616821 MITCUSUUQCXQJU-NFBKMPQASA-N 404.418 4.740 0 1 HJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc2O1 587617653 QDNJBRWDETYEQA-GBXCKJPGSA-N 404.418 4.516 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(C(F)(F)F)N1 587703864 HJSJBYAOLJBGTC-QFYYESIMSA-N 403.217 4.518 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN([C@H](C)c3ccccc3)C2)N1 587768704 MERGYMPRJSYNMC-PZPWOCDFSA-N 403.339 4.785 0 1 HJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587784220 FYRPMQQGASAGAW-OLZOCXBDSA-N 405.679 4.922 0 1 HJAF COc1ccc([C@@H]2C[C@]3(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587829843 COLUYRRRJBOMBP-FPSMJMQUSA-N 420.322 4.878 0 1 HJAF COc1cccc2c1OCC([C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 587834889 NFWXBIYXTLMXAG-GTJPDFRWSA-N 418.306 4.822 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCNC(=O)OC(C)(C)C 587870638 NWAUULYCHJAHDU-UHFFFAOYSA-N 419.497 4.813 0 1 HJAF CC[C@H]1C(=O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C 685935949 MLTYJMYPDLQLJF-KYSBEAGVSA-N 418.574 4.708 0 1 HJAF biogenic,in-vitro COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)CCCC(=O)c1ccnc(Cl)c1 963643178 ZIVJTCFWZVSUDK-RCDICMHDSA-N 402.922 4.555 0 1 HJAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CC[C@H](O)C(C)(C)O 2356605094 SOTUFGKJQVSOCT-QFIPXVFZSA-N 400.515 4.757 0 1 HJAF CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 36382890 FQNMQJGNBGFLFH-SQHAQQRYSA-N 411.501 4.749 0 3 HJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1OC 27840829 DDEVDXKOTCTQPW-CBJLPSGESA-N 402.531 4.773 0 1 HJAF biogenic O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C(=O)Nc2ccccc2)cc1 40860397 HGXQWSFADKMPCN-REZHQCRGSA-N 412.445 4.876 0 1 HJAF O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cn[nH]c1 45339799 WLUWPBGDKJQRDB-UHFFFAOYSA-N 411.433 4.619 0 1 HJAF NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)s1 66101744 QLMFADDLSJKRFE-NRFANRHFSA-N 403.555 4.558 0 1 HJAF CCCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccc(F)cc2)n1 82140545 NWZXQORYLWWBPI-UHFFFAOYSA-N 410.468 4.606 0 1 HJAF CCCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc(C)c2)n1 82146069 XHCBYQWYFHETMY-UHFFFAOYSA-N 406.505 4.776 0 1 HJAF Clc1cccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)c1 82181143 LPYVRQYQSIBPBC-QGZVFWFLSA-N 409.877 4.531 0 1 HJAF Cn1nc([C@H](F)C(F)(F)F)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103276829 MDPBVMHLJACLMF-HNNXBMFYSA-N 405.823 4.874 0 1 HJAF Cn1cc(C(=O)Nc2cccc(Cl)c2)c(OCc2cccc(C(F)(F)F)c2)n1 103277817 AGFXTIZGILKRIE-UHFFFAOYSA-N 409.795 4.924 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136122846 FNBYYFMYNRYPPC-URJUDJIASA-N 404.591 4.775 0 1 HJAF COCO[C@H]1C[C@@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169349930 LHSZBYIVFZJSTN-XZCBWCRCSA-N 401.934 4.670 0 1 HJAF CCCCCOc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br 586891260 NTARPFLMHXAILO-GOSISDBHSA-N 405.292 4.682 0 1 HJAF COC(=O)Cc1c(-c2ccccc2N)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995890 JZJXKGLGOYRCBN-UHFFFAOYSA-N 408.457 4.719 0 1 HJAF CSc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 586999863 CSZPVJAITSXAPV-DJWKRKHSSA-N 403.301 4.989 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(C4CC4)nc3C)nc2c1 587013073 WTABTOJIAYQFAU-UHFFFAOYSA-N 406.305 4.811 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c2c1 587143539 HRPMKHBGQVEGAB-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF CN(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 587341807 YOYCUIWLDZBMAG-NOZRDPDXSA-N 419.452 4.702 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O 587452817 VFYPVZGASQLKFP-MZBJOSPHSA-N 400.474 4.689 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(OC)c(F)c1)CC2=O 587466161 KDBWMDFKWJRGOJ-HSZRJFAPSA-N 416.445 4.608 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OC(F)(F)F)ccc1O 587558991 YYDKWYPAERZJCO-PXNSSMCTSA-N 418.323 4.699 0 1 HJAF CCOC(=O)c1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599565 XWWXSFSPEAWOJL-SQJMNOBHSA-N 418.445 4.532 0 1 HJAF Cc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602548 IMXBXWZEDLAGSK-RDGATRHJSA-N 418.445 4.813 0 1 HJAF Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 587627410 VFDIRPGWSUDXDX-MOSHPQCFSA-N 422.916 4.642 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)nc1 587655282 AMBVSLFUXZWIJY-UHFFFAOYSA-N 403.310 4.745 0 1 HJAF Cc1cc(Br)cnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657622 YSPNZPABOFVAFH-UHFFFAOYSA-N 410.246 4.658 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697774 UHTFXEFPNAFCIF-VVVCHXIZSA-N 419.121 4.665 0 1 HJAF CCc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587745395 WBZQRHLBMCKXTN-LRTDBIEQSA-N 419.338 4.929 0 1 HJAF Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756708 FCVQBKAZXOKRNV-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C2CCCCC2)N1 587765760 UDMBLIBRCUPOFM-FKIZINRSSA-N 406.343 4.993 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCCCC2)N1 587769171 XOLBSZYPDFBGSY-YJYMSZOUSA-N 404.327 4.597 0 1 HJAF CC[C@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812352 YMZGSWLLWFSTHL-MPBGBICISA-N 422.294 4.921 0 1 HJAF CCOC(=O)C1(c2ccncc2)CCC2(CC1)c1c(F)cccc1C[C@@H]1CCCN12 963105398 QFADWOUQBYODJL-LXKSKSEUSA-N 408.517 4.512 0 1 HJAF C[C@H]1c2ccccc2N(Cc2ccccn2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772645733 GIBDJBDXOPLUGD-UXHICEINSA-N 400.526 4.763 0 1 HJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H]1c2ccccc2O[C@H]2C=CC=C[C@@H]21 2721992 KICYSZOYNLAVJI-NBHGPNQESA-N 414.461 4.570 0 1 HJAF CCOCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1 26294187 XSWQGNVIQFFQTL-UHFFFAOYSA-N 424.566 4.801 0 1 HJAF C[C@@H](Cc1ccc(OCCCCOc2ccccc2)cc1)NCC[C@@H]1CCCN1C 45210404 SRQRTWAZOHAZBY-UPVQGACJSA-N 410.602 4.930 0 1 HJAF O=C(NC1CCCCC1)Oc1cccc(C2=N[C@@H](Cc3c[nH]c4ccccc34)CO2)c1 45288006 AXOQBOXZTNAIOR-FQEVSTJZSA-N 417.509 4.977 0 1 HJAF CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc21 58583445 KMAKOMVKNWTGPE-AKUVNNTDSA-N 400.954 4.554 0 1 HJAF in-vitro COc1ccc([C@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)cc1OC 100796315 UBNCGPVOHZKOBV-LBPRGKRZSA-N 419.886 4.564 0 1 HJAF CCc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)cc1 103187119 OWIOODYGVYTNED-JWGURIENSA-N 406.913 4.794 0 1 HJAF 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HJAF C[C@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558091 VELWFOFXNRLGNP-DYESRHJHSA-N 412.344 4.591 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccn1 587568505 DRCVWTDSMAPXGO-WIOPSUGQSA-N 413.404 4.832 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncc1)c1ccccc1 587586193 JFTFZGUFZMUWOY-ZEQKJWHPSA-N 409.441 4.887 0 1 HJAF CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587593479 DSLAKBKABSCFEI-QPPBQGQZSA-N 406.434 4.980 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1 587695472 BGTMNGGLOLUYRT-AYJOZJFTSA-N 424.697 4.660 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746257 ZMJLOFVZBCPLJX-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF C[C@H]1C[C@@]2(CN1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 587760534 KVSOHDPLULUUFO-WIEQDCTASA-N 403.339 4.612 0 1 HJAF COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809286 SHPXKLDVXMUSQC-LAJNKCICSA-N 422.338 4.906 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1 587830049 DIGGNFJRKUMWFD-JEOXALJRSA-N 406.295 4.857 0 1 HJAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cnc(C)c(Br)n1 587941477 PFEHQYGFEUIOGJ-UHFFFAOYSA-N 424.298 4.796 0 1 HJAF Oc1ccc2c(c1)[C@H](c1ccccc1OCc1cccc(Br)c1)NCC2 963339991 DJAMZDYOOIUPIH-QFIPXVFZSA-N 410.311 4.969 0 1 HJAF Nc1ccc(-c2c[nH]c3cc(-c4ccc(N5CCC(N)CC5)cc4)ccc23)c(F)n1 1772602229 QECIONLELRWAEL-UHFFFAOYSA-N 401.489 4.546 0 1 HJAF CC(=O)Oc1c(C(C)C)cc(C=O)c2c1O[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@@]21C 2356657913 XWAMMEGQPHELCK-GPXNEJASSA-N 416.514 4.913 0 1 HJAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCc2nc(-c3ccccc3)ccc21 199725438 CEHIKRMNGURLIN-UHFFFAOYSA-N 418.440 4.909 0 3 HJAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 200050669 FPJZYORYBCUQEU-VWLOTQADSA-N 412.533 4.973 0 3 HJAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 4036781 YOUSNCOWHLILND-NOZRDPDXSA-N 413.521 4.800 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(N(C(C)=O)C3CCCC3)cc21 26498718 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NC(=S)Nc1cccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)c1 73156934 KRLTUYHQXFSYCY-UHFFFAOYSA-N 420.519 4.520 0 1 HJAF O[C@H](Cc1ccc(Br)cc1)CN1[C@H]2CC[C@H]1CC(c1ccccc1)C2 100799593 IYFITMLPVWGURC-FDFHNCONSA-N 400.360 4.763 0 1 HJAF COc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccc(C)cc2)cc1OC 103244328 RMZXKWVYBZIMBA-UHFFFAOYSA-N 411.527 4.676 0 1 HJAF COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1 103872915 XSAHEIZAQQKPCA-JOCHJYFZSA-N 403.482 4.846 0 1 HJAF O=C(Nc1cnc2[nH]c(CNc3ccncc3)cc2c1)c1ccccc1Br 148964344 VKNWFBJIODHKRU-UHFFFAOYSA-N 422.286 4.585 0 1 HJAF Cc1ccn2c(C(=O)Nc3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)cnc2c1 206107668 PZQWOZMFFXZLHP-UHFFFAOYSA-N 423.423 4.766 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 261097593 FSHSFSWCXDGVQS-BLTAGBQOSA-N 406.570 4.847 0 1 HJAF COc1cc(OC)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587081559 QFHQCOIQXCQLKP-UHFFFAOYSA-N 405.845 4.610 0 1 HJAF Cc1ccc(C)c2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 587107905 NJEUXTVNYJVJHQ-OAHLLOKOSA-N 423.460 4.724 0 1 HJAF Cc1cc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145389 VIITVSOSIYYEPE-UHFFFAOYSA-N 402.385 4.625 0 1 HJAF Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1C 587168461 WXXHRMYYFPNXRN-UHFFFAOYSA-N 401.488 4.848 0 1 HJAF CSc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587238786 FXMXGKPOEATGGV-UZSYQUHHSA-N 417.575 4.840 0 1 HJAF C[C@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340909 ZNLHZSHRQCWRJQ-ISKFKSNPSA-N 423.415 4.817 0 1 HJAF Cn1ncc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c21 587341591 JYEVHIIPCLTCJO-QPPBQGQZSA-N 402.425 4.692 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)cn1)O2 587374535 YTAIZPGMZYSFQN-NRFANRHFSA-N 409.283 4.644 0 1 HJAF C=CN1CCCC[C@@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587394926 KAOHWPDEWJXODS-NLFFAJNJSA-N 404.510 4.519 0 1 HJAF COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428034 LHXJCPLQICSPBF-PXDATVDWSA-N 404.437 4.729 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCN4CCC[C@@H](C)C4)cc1)[C@@H](C2)C3=O 587437928 MBQJJNNNPVRJLI-DRKZVIBPSA-N 421.537 4.685 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)c(OC)c4)cc1)[C@@H](C2)C3=O 587444631 WPOXRKMOTTXLSM-CPJSRVTESA-N 400.430 4.672 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587445091 WONKIBUGFNPCCO-QFQXNSOFSA-N 414.457 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1CCCOCCOC)CC2=O 587478424 GAKHLSRAGDXYIG-VWLOTQADSA-N 412.526 4.821 0 1 HJAF COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1C 587589689 POJDMWIOLYVKRU-QPPBQGQZSA-N 401.418 4.893 0 1 HJAF CC(C)(C)OC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597852 WOPNBMUACDUYRA-ZEVUCKTBSA-N 410.466 4.625 0 1 HJAF Cc1cnc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615087 VNDMZQOMMAWPGG-RXVVDRJESA-N 404.447 4.651 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658156 INEYPTATGLHVHQ-UHFFFAOYSA-N 412.342 4.910 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1 587711085 VUECDBHDDFYRPA-FVMDXXJSSA-N 403.217 4.511 0 1 HJAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587721175 WEJMZENAHDSIQA-JDNHERCYSA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728359 ALDPHHIDEKKGOP-WLRWDXFRSA-N 409.274 4.506 0 1 HJAF Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1nc(N2CCCCC2)ncc1F 587944519 AXHJXQICJPLUEU-UHFFFAOYSA-N 423.275 4.782 0 1 HJAF CCCNc1cc2c(cn1)cc(NC(=O)c1cccc(-c3ccccc3)c1)c(=O)n2C 653893472 VMKSWIXSINBQSE-UHFFFAOYSA-N 412.493 4.675 0 1 HJAF O=Cc1ccc(Oc2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)cc1 963222291 GJMLKFARQGARDN-JWQCQUIFSA-N 424.456 4.528 0 1 HJAF C[C@H](N)C[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817122 JNVOHLXCRFLQQA-UZTOHYMASA-N 411.549 4.874 0 1 HJAF O=C(CN(Cc1ccccc1)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 1772629998 WPTGINVMCHTKSS-UHFFFAOYSA-N 419.956 4.695 0 1 HJAF C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 1772636386 IUZDPVJRKQSJHB-INIZCTEOSA-N 420.463 4.568 0 1 HJAF CCC[C@H](C)Nc1ncc2c(-c3cnc(C4CC4)nc3)cn([C@H]3CC[C@H](O)CC3)c2n1 1857769630 XMKLRDAMHIXNLW-SNRMKQJTSA-N 420.561 4.842 0 1 HJAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CCCC[C@@H]2CCCO)c1 2356397288 LXHMXYRWGMCGCZ-ZFGGDYGUSA-N 420.590 4.935 0 1 HJAF C[C@H]1C[C@@H](C)CN2C[C@@H]3[C@@H](CC[C@@H]4[C@@H]3C[C@@H]3[C@@H]4CC(=O)[C@@H]4C[C@H](O)CC[C@@]43C)C[C@@H]12 2356734871 AZDIWQCQCMRTKK-ZXOBQDHDSA-N 413.646 4.771 0 1 HJAF Cn1c(=O)c2cc(NC(=O)Nc3cccnc3)ccc2n1-c1ccc(C(C)(C)C)cc1 61897663 DJRIFGCBLOVQEL-UHFFFAOYSA-N 415.497 4.666 0 3 HJAF CC(C)CCNC(=O)c1ccc(CNC(=O)/C=C/c2ccc3ccccc3c2)cc1 1862858 HVLJYHQCIBHALT-GXDHUFHOSA-N 400.522 4.945 0 1 HJAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)cc1F 2480519 AHOCFCJUVAXOEN-UHFFFAOYSA-N 418.852 4.576 0 1 HJAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4036861 DRRJSUPVGBQYCY-RSXGOPAZSA-N 421.500 4.830 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214105 DDDZTNYHZSHMGG-CWKRKGSWSA-N 416.562 4.519 0 1 HJAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCOCC3)cc12 13454366 LMLOVKBFKXDYEE-UHFFFAOYSA-N 407.510 4.731 0 1 HJAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OCCO)nc3C(F)(F)F)ccnc21 13487168 DQSXTMFWUIYRAO-CYBMUJFWSA-N 422.451 4.807 0 1 HJAF COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)cc3[C@H](Cc3ccc(O)cc3)N1CC2 14443945 DWZKGBIFWZNNTA-BJKOFHAPSA-N 417.505 4.554 0 1 HJAF biogenic CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N[C@@H]1CCCc2ccccc21 28951026 UGRXLCPTXWYIJX-OAHLLOKOSA-N 422.337 4.830 0 1 HJAF O=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1 38467879 UZFYCISOWWEDLU-VAWYXSNFSA-N 415.489 4.682 0 1 HJAF O=C1OCC2=C1[C@@H](c1cc(Br)ccc1O)c1ccc3ccccc3c1N2 71280811 GBHBKQYZAMMPMW-GOSISDBHSA-N 408.251 4.676 0 1 HJAF Cc1cc(C)c2oc(=O)cc(CC(=O)Nc3nc4cc(Cl)c(F)cc4s3)c2c1 71335432 BLHGGTXJIGCHBA-UHFFFAOYSA-N 416.861 4.993 0 1 HJAF O=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO 95877940 HKSRNOMJXSTDLM-IGKWTDBASA-N 420.459 4.622 0 1 HJAF O=C(Nc1cc(-c2ccc(F)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1 96167427 JJAUNWZYHYUAOR-UHFFFAOYSA-N 416.416 4.539 0 1 HJAF COC(=O)c1ccc(Cl)cc1NC(=O)CSc1ccc(Br)cc1 96283165 OWWIZICIPNGIIS-UHFFFAOYSA-N 414.708 4.620 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104075530 VAXZRGGYNXYUGT-JLTOFOAXSA-N 401.890 4.870 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@@H](F)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141905195 NIRUKMZQAJQOKO-FHXJZBGTSA-N 403.513 4.681 0 1 HJAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1c(F)cccc1F 143197810 KREVBSDXGCKOJM-UHFFFAOYSA-N 410.298 4.717 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2nccs2)c1 167082613 UXOGHIYIIAOJFE-MAUKXSAKSA-N 408.523 4.937 0 1 HJAF Cc1cc(C)c(C(=O)Nc2cc(Br)cc([C@@]3(C)CCSC(N)=N3)c2)o1 169687397 YBFOOYGOQXCPKH-GOSISDBHSA-N 422.348 4.578 0 1 HJAF CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4CCC4)cc3)C2)ccn1 169709440 BUVANMQEPBCZSL-FDDCHVKYSA-N 423.557 4.504 0 1 HJAF CC(C)N1C[C@@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 169729223 IRGZJOASCLJVTK-JTKSJCOOSA-N 421.537 4.512 0 1 HJAF CCCCCCN1C(=O)C=C(Br)C1=C(Br)Br 473154482 HYTAMQXIHHSIOP-UHFFFAOYSA-N 415.951 4.647 0 1 HJAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1 586986784 VAULJNOAYRVZQP-UHFFFAOYSA-N 414.848 4.986 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587043983 WTEUIIGEJRTAKZ-QGZVFWFLSA-N 421.444 4.868 0 1 HJAF COc1cncc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc12 587060594 AWIVFIOOQBFXQD-UHFFFAOYSA-N 418.888 4.697 0 1 HJAF Cc1cccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 587141029 NHYULUVSSWAHFJ-KRWDZBQOSA-N 409.914 4.730 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(C)=O)cc4[nH]3)cc2F)c1 587143382 FILCZFNFUMMPGA-UHFFFAOYSA-N 404.397 4.945 0 1 HJAF Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br 587147249 IHCXEEWDLBRQPV-UHFFFAOYSA-N 403.230 4.980 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2c(cnc3ccccc32)[nH]1 587181423 QOOFITQOKFEDKE-JTQLQIEISA-N 417.254 4.550 0 1 HJAF CC(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587331044 DAKUZFBGEFKJCQ-LADGPHEKSA-N 405.425 4.764 0 1 HJAF CCOC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345035 DMYDHMXCVXQTSR-XOYNAWAESA-N 412.457 4.772 0 1 HJAF C[C@@]1(c2ccc3nc(N)sc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370451 BJNFAHHDUTVQPL-REWPJTCUSA-N 420.465 4.998 0 1 HJAF CCOc1cc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587375472 CPNUFPOQVRCENP-QGZVFWFLSA-N 420.303 4.844 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCCN4CCC[C@H](C)C4)cc1)[C@@H](C2)C3=O 587437933 MBQJJNNNPVRJLI-VAQYAFAPSA-N 421.537 4.685 0 1 HJAF CCCOc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655645 CGOUPYXZUHNSSI-UHFFFAOYSA-N 420.415 4.819 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)nc2)N1 587678523 DAPUQKCVHIUKSN-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N)N1 587679813 ODYSLFRIUMURFM-VPTHRUTESA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 587709456 MVPHHVCKNVQDTO-FVMDXXJSSA-N 416.212 4.957 0 1 HJAF CCCOc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Br 587797746 SHYIESLEQBXTAS-UHFFFAOYSA-N 421.291 4.807 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587839254 FFFWORMNEOQICG-BIBXISHDSA-N 404.279 4.758 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2cccs2)N1 587846542 IBTPHRUUROXVOJ-VOJFVSQTSA-N 412.324 4.682 0 1 HJAF CCOP(=O)(C[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC 587851344 VWQCGFVTNWCZLA-SJCJKPOMSA-N 422.275 4.994 0 1 HJAF COc1ccc(COc2ccccc2-c2ccn([C@H]3CCCC[C@@H]3O)c(=O)c2)cc1 653697822 MPRBGLHHWQJJED-GOTSBHOMSA-N 405.494 4.579 0 1 HJAF CC(C)(C)[C@@]1(CC2(O)CCCCC2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962675901 XCSGEWCITVSMKL-IZZNHLLZSA-N 424.585 4.660 0 1 HJAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(Cl)c(O)c(Cl)c2)N1 962698623 NHTDORGINZCYCD-KBPBESRZSA-N 424.177 4.545 0 1 HJAF O=S(=O)(c1n[nH]c(-c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)n1)C1CCC1 1857750700 HYGLMWARPYXHIE-UHFFFAOYSA-N 424.309 4.897 0 1 HJAF CC1CCN(c2cc(C(C)(C)C)ccc2CNC(=O)Cc2ccc3c(c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c2cccc(Cl)c2)=NO[C@H]1c1ccc(OCC)cc1 4206800 BULLTWBZXXGYMK-CTNGQTDRSA-N 400.906 4.747 0 1 HJAF Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1Cc1ccccc1 13741076 WCXVUWWNSLEHKN-UHFFFAOYSA-N 421.522 4.594 0 1 HJAF CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c(CC=C(C)C)c(O)c12 14586090 AJZWPTPGSNWUME-MRXNPFEDSA-N 416.470 4.566 0 1 HJAF biogenic CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)CCCN(C)C 28245294 DJJKBOVMQZVETN-RTBURBONSA-N 400.394 4.541 0 1 HJAF CCN(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 36189255 JSVCHYCWIRWLJK-PKXXRVPGSA-N 420.597 4.953 0 1 HJAF COc1cc2nc(NCCCN(C)c3ccccc3)nc(NCC(C)C)c2cc1OC 82128222 HTZGRKPCTRLFBA-UHFFFAOYSA-N 423.561 4.653 0 1 HJAF Cc1ccc(C(Cc2ccccc2)(SC[C@H](N)C(=O)O)c2ccc(C)cc2)cc1 84710607 SJWNLPHLEVRWGQ-QHCPKHFHSA-N 405.563 4.935 0 1 HJAF O=C(O)[C@H]1CC[C@@H](Oc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cn3)cn2)CC1 101688502 QCPURHNPMLMDRG-RZDIXWSQSA-N 414.465 4.709 0 1 HJAF COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(C(=O)Nc2nccs2)c1 169326024 PTAGXTKZJWWADL-LBPRGKRZSA-N 420.437 4.880 0 1 HJAF CCN(CC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 169333911 OVOBURILKCMACO-NRFANRHFSA-N 414.933 4.948 0 1 HJAF COc1cccc2c(NCc3ccccc3)nc(-n3c(CN)cc4ccccc43)nc12 218970579 OBXWKKVRXSCBDV-UHFFFAOYSA-N 409.493 4.653 0 1 HJAF Cc1cc(C)c(-c2n[nH]c(C)c2C2CC2)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 219058405 ZHNGDUDYEUOOPT-UHFFFAOYSA-N 410.521 4.991 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccccc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 253638811 BXNNFPHCTNPRQD-AOINAHSXSA-N 402.538 4.733 0 1 HJAF CCC(=O)c1ccc2c(c1O)[C@H]1c3c(ccc4c(=O)c(C)coc34)OC[C@H]1C(C)(C)O2 299829665 KXQVOEATCYIVGA-BEFAXECRSA-N 420.461 4.711 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299876740 GFBBCSZINJABQE-XCYUPCBOSA-N 418.578 4.622 0 1 HJAF CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C 299884412 TTXSNAOFKRPDSQ-PZJWPPBQSA-N 420.605 4.725 0 1 HJAF Fc1ccc(F)c([C@@H]2C[C@@H](c3cccc(Br)c3)N=C3N=NNN32)c1F 473248727 QEMTVNZVVIVARX-STQMWFEESA-N 410.197 4.596 0 1 HJAF CCOc1cc(/C=C\c2nc3cccc(OC)c3[nH]2)cc(Br)c1OC 586977811 JABUKSCHCZXYMS-HJWRWDBZSA-N 403.276 4.912 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(Br)cc3C)nc2c1 586981308 OSRIMOGJBKVGTC-UHFFFAOYSA-N 409.667 4.653 0 1 HJAF Cc1nc(COc2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)cs1 587020049 DNCJYAHCQTUNDT-UHFFFAOYSA-N 401.394 4.895 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2cc1OC 587112040 JQANYPKXQBBYMR-UHFFFAOYSA-N 401.344 4.592 0 1 HJAF COc1cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2cc1C 587114429 SXNAJBKNCFJEIO-UHFFFAOYSA-N 409.433 4.771 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2N1 587126855 NMPHBUVCPBJLNQ-KRTXAFLBSA-N 405.302 4.633 0 1 HJAF COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587392199 RQPXWJRMSJZPIC-OAQYLSRUSA-N 405.498 4.911 0 1 HJAF O=C1C[C@@H](c2cc(Br)c3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587494894 AJZYKZZZRIXODV-KRWDZBQOSA-N 401.256 4.763 0 1 HJAF C[C@@]1(c2ccc(N3CCOCC3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503901 HJTIRQTYOGFVBC-DEOSSOPVSA-N 411.929 4.936 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(N2CCCC2)c1 587553949 BZEKCSRIGJKGFJ-XUZZJYLKSA-N 405.425 4.834 0 1 HJAF C[C@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596276 QIKTZNSOPDOPTR-ZJSXRUAMSA-N 400.434 4.622 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCC1)Oc1ccccc12 587610891 QXZLXYXZRSVBPG-SQJMNOBHSA-N 400.430 4.955 0 1 HJAF CCCc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1 587651606 BNSGKGCGZXSYTF-UHFFFAOYSA-N 422.868 4.863 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Br)c2)N1 587676250 DLNMLDWYFXZASV-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12 587748515 XNOUXFYSHOAJIF-VERVWZFWSA-N 409.302 4.977 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754951 FXQCQDISFHBZNY-PRWKNARSSA-N 403.295 4.583 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccncc3)s2)N1 587852738 IIGKJFHNGTVQAJ-BMLIUANNSA-N 404.308 4.730 0 1 HJAF Cc1c2cc(-n3ccc(OCc4cc(C(F)(F)F)cs4)cc3=O)ccc2nn1C 653714290 VNLUVGGPOWIHCQ-UHFFFAOYSA-N 419.428 4.692 0 1 HJAF COc1ncccc1[C@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 962993431 BHTLQOAKCAHDGL-QHCPKHFHSA-N 419.575 4.958 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(C[C@@H](C(=O)O)c1cccc(F)c1)c1ccc(Cl)cc1 963070242 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CC1=C(C(=O)Nc2ccccc2)C(c2ccc[nH]2)C(C(=O)Nc2ccccc2)=C(C)N1 72111504 AAAYBVPBRPBALN-UHFFFAOYSA-N 412.493 4.527 0 1 HJAF O=C(NCc1ccccc1Cl)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82140669 LHQNZPFRIOGSTJ-UHFFFAOYSA-N 410.880 4.688 0 1 HJAF Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCC(F)(F)CC3)cc12 118588833 SJOVJIZDIQLXHK-UHFFFAOYSA-N 400.401 4.702 0 1 HJAF COc1c(F)ccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167021748 DGKBPAWMAGYPSW-GJZGRUSLSA-N 419.321 4.684 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 255243728 NEMWYOKGHGSVSC-BLHNWCSOSA-N 415.662 4.563 0 1 HJAF COc1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046250 NYJZHFLPVSYUNZ-UHFFFAOYSA-N 417.937 4.867 0 1 HJAF CC[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)n1cc(I)c(C)n1 587186082 ZSDDTKBMSNBYBD-INIZCTEOSA-N 422.314 4.969 0 1 HJAF COCc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC 587352641 PJXQNNVEOCEAJM-ZCYQVOJMSA-N 422.452 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)c(C(=O)OC)c1)CC2=O 587474185 FNHJEMZNQQALSI-HSZRJFAPSA-N 423.509 4.828 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(C(=O)O)c1)CC2=O 587489072 MTKYMNHJZBZNQO-RUZDIDTESA-N 402.446 4.952 0 1 HJAF Cc1cc(Cl)cc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551592 HHLVVPFSWMITBQ-XXBNENTESA-N 408.837 4.994 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1F 587566959 COQMYDVVNOJKMX-OXJNMPFZSA-N 415.214 4.997 0 1 HJAF CCC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649666 WHGVVLFZHAENFO-UHFFFAOYSA-N 406.301 4.594 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnc2)N1 587752040 BKQHLLOHQUETLQ-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cccs2)N1 587856641 YGMXPRCKEBBQME-BUXKBTBVSA-N 403.320 4.871 0 1 HJAF O=C(/C=C\c1ccc(F)cc1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653719076 IAIKTIPMMDDIKB-VWTHGPEQSA-N 412.424 4.635 0 1 HJAF CCCC[C@]1(c2ccnc(Cl)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962961819 HMEMCDGZICCOBF-AUUYWEPGSA-N 415.267 4.699 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccccc3O)cc2)N1 962984873 AAJQFNJWQQUBML-DYESRHJHSA-N 415.823 4.679 0 1 HJAF COc1cc2nccc([C@@H](OC(=O)C3CC3)c3ccc4c(ccn4C)c3)c2cc1OC 1772620866 CZHYYXRZMCUWSW-DEOSSOPVSA-N 416.477 4.786 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3C=CN(CC(=O)O)C=C3CC[C@@H]12 2356786178 ZGSJJUBSIWHGSK-GCZFGYHLSA-N 415.574 4.986 0 1 HJAF O=C(COC(=O)/C=C/c1cccc(Cl)c1)NCCc1ccc(Cl)cc1Cl 3297920 FEZVESXFUWSHOI-QPJJXVBHSA-N 412.700 4.562 0 3 HJAF CNc1nc2cnc(Nc3cccc(Cl)c3)cc2n1Cc1ccc(OC)c(OC)c1 82082020 QNDWIWCKIOUYNS-UHFFFAOYSA-N 423.904 4.936 0 3 HJAF CO[C@@H]1[C@H](OC(=O)c2cccc(Cl)c2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5963865 QBAFOIZSLVPHRY-WOJBJXKFSA-N 414.841 4.531 0 1 HJAF O=C(O)c1ccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 13475212 OAIKBYAJAOEBFJ-UHFFFAOYSA-N 415.489 4.587 0 1 HJAF Cc1[nH]c2ccccc2c1[C@H](c1ccc2ccccc2c1)c1oc(CO)cc(=O)c1O 64560693 KMKHDIBINRBYMI-DEOSSOPVSA-N 411.457 4.961 0 1 HJAF CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2cccc(C)c2)oc1C 82173861 ZDSBWTBWZHVQPP-UHFFFAOYSA-N 421.545 4.696 0 1 HJAF CC(=O)N1CCC[C@H]([C@]2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1 98208073 RIBYLXUNNWIWJK-AOMKIAJQSA-N 417.336 4.685 0 1 HJAF in-vitro CC(C)N1C[C@H](OC(=O)c2ccccc2-c2ccccc2)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 101645430 IRGZJOASCLJVTK-OEYYQIPYSA-N 421.537 4.512 0 1 HJAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(O)c4)nn32)cc1 103541880 UZMPQXQFZNVNPR-NRFANRHFSA-N 416.481 4.967 0 1 HJAF O=C(O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2)cn1 143185427 QAJFPIFCJNLXPC-UHFFFAOYSA-N 402.328 4.843 0 1 HJAF COc1cccc(-c2cc(Nc3cccc(N4CCC[C@H]4C)n3)c3nccn3n2)c1 207375320 IEOIZVJETAOPMC-MRXNPFEDSA-N 400.486 4.532 0 1 HJAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](CF)OCC3)ccc1Cl 221766187 LUKQGXBAYDUKKH-QGZVFWFLSA-N 415.896 4.802 0 1 HJAF CCN(C)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Br 473150018 KZTUDHOMEDPIIR-UHFFFAOYSA-N 417.351 4.822 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 586917776 UXRFOPVQASXUKZ-HXPMCKFVSA-N 403.251 4.681 0 1 HJAF Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C 586962509 XHSAQNQISGTEII-WMQCIHAUSA-N 409.555 4.874 0 1 HJAF Cc1nc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2cc1Br 587076590 XFLAYXFXJMIXGH-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF Cc1cnc(Cl)c2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc12 587113460 KUMTZGUQTHMBOC-UHFFFAOYSA-N 414.840 4.810 0 1 HJAF Fc1ccc(-n2nnc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2C2CC2)cc1 587168604 KGQHDLXTLJGLCN-UHFFFAOYSA-N 403.339 4.726 0 1 HJAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352815 YAVZXOUSVXFCDJ-NGLBYXEYSA-N 412.457 4.628 0 1 HJAF COc1ccc2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359971 TUVKDUBOXNCSST-UPVQGACJSA-N 406.409 4.577 0 1 HJAF CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 587382979 UQOWXDPWUCABLR-QGZVFWFLSA-N 405.378 4.593 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(Cl)n1-c1ccccc1)[C@@H](C2)C3=O 587418437 BDCUNBOZKYNWJY-SCLBCKFNSA-N 401.249 4.676 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587453583 RJZPYHAPJOBOSL-BXKMTCNYSA-N 403.503 4.519 0 1 HJAF COc1cc2c3c(c1)O[C@@](CSc1nc4ccccc4s1)(C1CC1)[C@@H](C2)C3=O 587454499 XIFWXOTYIGYHGI-NYHFZMIOSA-N 409.532 4.993 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(C)(C)C(=O)O)(c1ccc(OC)cc1)CC2=O 587485174 ZYOINHHRDOLMOS-XMMPIXPASA-N 412.482 4.715 0 1 HJAF C[C@]1(CN2C(=O)c3ccccc3N/C2=C\Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499983 XAROZTLVCDEODN-QYAMMSNYSA-N 422.912 4.895 0 1 HJAF C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532158 NQORLZKPMJESRD-MQNRADLISA-N 404.462 4.863 0 1 HJAF CN(CC(F)(F)F)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587547579 LVXZNRRONFRDHD-UARVQCNDSA-N 421.415 4.529 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1ccccn1 587574044 YDXFJDXKIJLCAH-WIOPSUGQSA-N 413.404 4.832 0 1 HJAF C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595366 NHJAMRKPXYNUFR-JUCRVNNTSA-N 424.493 4.871 0 1 HJAF COC(=O)CC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596116 USNFPAYLHJQYDQ-WIOPSUGQSA-N 418.445 4.511 0 1 HJAF CCCOc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659977 LQBUHHKSYKAGKD-UHFFFAOYSA-N 402.425 4.680 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2OC(F)F)N1 587715556 HWCLEFKSJHXWAA-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587734026 MLYPKISJUYJHNL-PRWKNARSSA-N 418.285 4.845 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccn3)s2)N1 587852213 FELGNMCDEFFAPG-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF CCC(=O)N(C[C@@H]1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccccc1 653777874 MSWKQEUSFJHFAI-ZCYQVOJMSA-N 406.570 4.854 0 1 HJAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]34C[C@@H]3C=CC[C@@H]34)nc(Cl)nc21 963916499 SSQKPPJRMVYTCH-YGJVYZRNSA-N 421.932 4.620 0 1 HJAF CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cnc5ccnn45)C3)c2)c1 1772627644 ZLDDEUAUHUMPTJ-UHFFFAOYSA-N 411.509 4.668 0 1 HJAF COC(=O)c1ccc2c(c1)C[C@]1(O2)[C@@H](C)CC[C@@H](OC(=O)c2ccccc2)C1(C)C 2356504640 ZCNGYPFWHGRPSJ-LMNXFLSBSA-N 408.494 4.829 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13 2356564073 SZDAYVWJPZICBE-DFQVTKPUSA-N 414.678 4.663 0 1 HJAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@H]1CCCCC(=O)CCc3ccc([nH]3)[C@H]12 2356790988 GGQNIRCZPXJUJM-NXIIPSDBSA-N 421.541 4.657 0 1 HJAF CCCc1cnc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1 61907105 GJEQWHUTENSICF-OAHLLOKOSA-N 407.465 4.891 0 3 HJAF COCc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)c1 205210286 RJBJOHWJORDCNY-UHFFFAOYSA-N 409.432 4.842 0 3 HJAF CCN(CC)c1ncnc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(C)c12 2925857 POIBSEXDEWWNSG-UHFFFAOYSA-N 404.923 4.760 0 1 HJAF CSc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1 3814584 PXKGITXVULXPQR-UHFFFAOYSA-N 412.458 4.684 0 1 HJAF COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1OC 5586702 NUBAJJCSZFAXDA-UHFFFAOYSA-N 402.410 4.966 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2[C@H]1CN1CCCC1 13823969 HTWGECPQHCRGFE-GOSISDBHSA-N 409.382 4.819 0 1 HJAF CCCC(=O)c1c(O)c2c(c3c([C@H](CC)OC(C)=O)cc(=O)oc13)OC(C)(C)C=C2 14586139 UUKLCYMJFOQPCS-INIZCTEOSA-N 414.454 4.680 0 1 HJAF biogenic CCCC[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27560041 SRLRNMPSHWJVSI-JOCHJYFZSA-N 408.542 4.965 0 1 HJAF CC(=O)c1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4)cc3)n(O)c2c1 45290420 ZKQNPWFHFGIGCT-YIXHJXPBSA-N 415.424 4.934 0 1 HJAF COc1ccc(OC)c(CNC[C@@H](O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 45319702 DOWFMNJGYMKZGR-MRXNPFEDSA-N 423.353 4.565 0 1 HJAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCF 64527946 HXRNRONSFRJKJG-UHFFFAOYSA-N 402.470 4.791 0 1 HJAF COc1ccc(Nc2cc(/C=C/c3ccc(O[C@H]4CCCCO4)cc3)nc(N)n2)cc1 96914147 LTMIJQLGRMQRHY-GPVJQRHHSA-N 418.497 4.887 0 1 HJAF c1ccc(-c2csc3ncnc(N4CCC(CNCC[C@H]5CCCO5)CC4)c23)cc1 146423322 BFKKPHMOJIVZIU-HXUWFJFHSA-N 422.598 4.733 0 1 HJAF C[C@@H]1Oc2ccccc2O[C@@H]1COCCCN1CCC(c2nc3ccccc3o2)CC1 169312212 PNGIUPKSHPIGPW-MHECFPHRSA-N 422.525 4.642 0 1 HJAF Cc1nn(-c2ccc(Br)cc2Br)c2c1[C@@H](O)CC(C)(C)C2 299832013 POYRFSUTMLLSAC-AWEZNQCLSA-N 414.141 4.712 0 1 HJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 586882127 KKAUUJFLMLVIJG-UHFFFAOYSA-N 405.679 4.907 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CO)cc2[nH]1)c1cccc(Cl)c1 587072420 WDURMFRMNUSASD-KRWDZBQOSA-N 401.894 4.517 0 1 HJAF CCN1C(=O)[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 587105801 ICEJRKFROGAHBM-DEOSSOPVSA-N 418.452 4.779 0 1 HJAF COc1cc2c(cc1F)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332164 JKRRSAVVONOGOO-ISKFKSNPSA-N 408.400 4.880 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)CC2=O 587459524 DXGGUDJGBCCHHS-WHEQGISXSA-N 402.874 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O 587463401 AAEDVSWWXCXHRO-OAQYLSRUSA-N 422.399 4.787 0 1 HJAF Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531683 ISAIGBCMSAZQHM-QHCPKHFHSA-N 421.518 4.619 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Br 587540884 RRKKUZQVYDFTIH-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF Cc1nccn1-c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587759166 ZGFHXRWVNCXXKT-ASSNKEHSSA-N 414.322 4.880 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1 587762909 GUKVMOLWAMXIJO-CBLJQSSYSA-N 406.343 4.946 0 1 HJAF COc1nc2ccccc2cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587778359 MKGZPEJPLUQVBD-JEOXALJRSA-N 401.279 4.769 0 1 HJAF CCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587833642 GYYYWFNYKTUDMM-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF CCOP(=O)(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC 587850808 RZGZUEIOJRZYRH-BDJLRTHQSA-N 408.248 4.604 0 1 HJAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 587934164 BNLXJWYQFQTXFD-XMMPIXPASA-N 424.504 4.507 0 1 HJAF Cc1ccc(-c2cc(O)n(C[C@@H](c3cccc(Br)c3)N(C)C)c2O)cc1 587941840 WWZQCXYBTRXRBF-IBGZPJMESA-N 415.331 4.940 0 1 HJAF Nc1ccc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 653847672 VHVHYFRLWMDKSX-UHFFFAOYSA-N 421.382 4.942 0 1 HJAF Cc1nnc(-c2ccc(OCc3cnnn3Cc3ccc(-c4ccccc4)cc3)cc2)o1 1857646603 UAKFCJQCLNYJMB-UHFFFAOYSA-N 423.476 4.931 0 1 HJAF CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C)CCC2=O)cc1 36382998 ZBGYHGSEEXEDLA-AVRDEDQJSA-N 410.583 4.997 0 3 HJAF COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCC(C)(C)CO)cc1 774218 FGUVUXIMRISJHZ-UHFFFAOYSA-N 422.525 4.889 0 1 HJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)CCCN(C)C 28245281 DJJKBOVMQZVETN-RBUKOAKNSA-N 400.394 4.541 0 1 HJAF COc1cccc([C@H](CN2CCCC2)N(C)C(=O)Cc2ccc(C(F)(F)F)cc2)c1 28340313 HNRKCZXMZVWGKJ-NRFANRHFSA-N 420.475 4.552 0 1 HJAF Cc1nn2c(-c3cccc(NC(=O)OC(C)C)c3)ccnc2c1C(=O)c1cccs1 28819324 VENJYYNKQVUBNJ-UHFFFAOYSA-N 420.494 4.954 0 1 HJAF Cc1oc(C2CCCCC2)nc1Cc1cc2cc(C[C@H]3OC(=O)NC3=O)ccc2o1 29322438 NCAKHTZAZFEUOI-HXUWFJFHSA-N 408.454 4.545 0 1 HJAF C[C@H]([C@@H](c1ccc2cc(OCC3(C(=O)O)CCCC3)ccc2c1)n1ccnc1)N(C)C 40763218 JZBAXRLBKQTQQE-JPYJTQIMSA-N 421.541 4.600 0 1 HJAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(-c3cccc(Cl)c3)cc2)c1 58582932 YSZZSUWUGMYMNW-OFNKIYASSA-N 407.945 4.640 0 1 HJAF O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1noc2c1C[C@H](c1ccccc1)CC2 70725253 KKJDVZCAPIYEDU-GOSISDBHSA-N 416.456 4.583 0 1 HJAF C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2C[C@@H]1CCCO1)c1ccccc1 82188924 GSTOLCLUHTVNNV-MJGOQNOKSA-N 407.562 4.810 0 1 HJAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cccc(C(F)(F)F)c4)c3C2)nc1 114997861 RDXICZFIIAPTMJ-HNNXBMFYSA-N 413.447 4.935 0 1 HJAF CCc1[nH]c(=O)c(Cc2cccc(-c3cccc(N)c3)c2)c2cc(OC)c(OC)cc12 169703353 HVLJCQYYWXTRJZ-UHFFFAOYSA-N 414.505 4.948 0 1 HJAF CCCCc1ccc(/C=C(\C)Cn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1 198875035 MQRSEFOSZDJKLZ-XDJHFCHBSA-N 406.578 4.985 0 1 HJAF Cc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(C)n5)n4)n3)n2)n1 238809083 ISBCXSCTHMDMSL-UHFFFAOYSA-N 415.500 5.946 0 1 HJAF CN(CCCn1cc(CNc2ccnc3cc(Cl)ccc23)nn1)Cc1ccccc1 473082476 IEUJSAIAVHVIFJ-UHFFFAOYSA-N 420.948 4.614 0 1 HJAF COc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)cc(Cl)c1OCC(C)C 587046957 PZVRAUOOXLHING-FNORWQNLSA-N 400.906 4.965 0 1 HJAF O=c1cccc(-c2nc3c(cnc4ccccc43)[nH]2)n1CCOc1ccccc1Cl 587064542 VFRXRRPZGOVXMK-UHFFFAOYSA-N 416.868 4.672 0 1 HJAF NC(=O)c1cccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587082903 WRYNJFCGIPMSPS-UHFFFAOYSA-N 414.852 4.903 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 587167079 HHQPLWZYBIXJPB-CQSZACIVSA-N 421.245 4.973 0 1 HJAF COc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1OC 587182751 MIJZBMZNPDDHNQ-UHFFFAOYSA-N 414.630 4.505 0 1 HJAF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2coc3ccccc23)cc1 587281004 NXKSIHFYOCFOAF-QFIPXVFZSA-N 419.502 4.514 0 1 HJAF C[C@H](O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326135 ABRBNHBPRWDSIR-YZCBWUASSA-N 412.844 4.820 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587343073 RJRCDHXPWSCHNO-ZCYQVOJMSA-N 414.436 4.682 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Br)ccc1N)O2 587378950 XFPSSHTZEBYWLM-QFIPXVFZSA-N 423.310 4.831 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3nc(C(F)F)cc3C(F)F)o1)O2 587382218 KJZUHDVFXWFXQI-QGZVFWFLSA-N 423.366 4.997 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)O2 587407370 IZFAJIZMYQQRCN-VWLOTQADSA-N 401.462 4.801 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(Br)sc41)[C@@H](C2)C3=O 587453122 QFHLRILWVAKRLN-WLRWDXFRSA-N 420.328 4.530 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2cc(OC)c(OC)cc21 587476540 CRZQYAZNKZMBFF-DEOSSOPVSA-N 412.482 4.784 0 1 HJAF CN(Cc1ccccc1Cl)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587502691 DNDDRZPLTGSKDP-DEOSSOPVSA-N 411.929 4.991 0 1 HJAF C[C@@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555003 KCPOHAPGBOERQK-KBXCAEBGSA-N 407.369 4.745 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccnc1 587569613 INUCEMHNJDXTRQ-RDGATRHJSA-N 413.404 4.832 0 1 HJAF O=C(c1ccccc1C(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658172 JBVKTINKZFUHPR-UHFFFAOYSA-N 412.342 4.910 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587719047 KDQALDRYQPHICS-LZVRBXCZSA-N 422.248 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C)C(=O)O)(c2ccccc2F)N1 587726706 KNDBVTSEHWWCJX-FKANQGBASA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(F)cc2)N1 587735429 PTXNOZCBLSTAQK-BKNWUEFHSA-N 407.302 4.580 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2cccn2)N1 587760763 QNNRSPUHUWILCK-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF C[C@H]1CCN(Cc2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587770777 UJNMWWAVXLODDG-WJONJSRFSA-N 417.366 4.860 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587773538 ZKMDJSLKRYUDJD-WHEQGISXSA-N 424.317 4.994 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796433 KGDVTMPDACHODA-QKKBWIMNSA-N 420.322 4.628 0 1 HJAF CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587836178 SJJHSBKCDVKMCS-LRTDBIEQSA-N 404.323 4.957 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc3cnc(Cl)nc23)N1 587854509 CGDVKIDOBLFXKB-ZIDLFYJRSA-N 412.715 4.870 0 1 HJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 587925449 AEPFXDPRFQOBTB-SNVBAGLBSA-N 410.699 4.933 0 1 HJAF CCOC(=O)c1ccc(OCc2ccc(OCc3nc(C)c(C)nc3C)cc2)cc1 1857629564 BEJZYIVKUBLDFU-UHFFFAOYSA-N 406.482 4.737 0 1 HJAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5ccccc5C(F)(F)F)[nH]c4c3)nc12 1857749261 COMAKSZLUZFQLM-UHFFFAOYSA-N 408.387 4.970 0 1 HJAF COCOc1ccc(C[C@H]2Cc3cccc(OCCc4ccccc4)c3C2=O)cc1 1857749711 AOHDGXMKTGQVGS-QFIPXVFZSA-N 402.490 4.889 0 1 HJAF C[C@]12CCC[C@@](C)(C(=O)NCc3ccccc3)[C@@H]1[C@H](O)Cc1cc3ccoc3cc12 1857763784 IJDYGGAXXAAENY-XNOGGZAYSA-N 403.522 4.730 0 1 HJAF CCCNC(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3ccc(OC)cc3[nH]2)C[C@H]1C(C)C 2356384174 CFXRZRDMAVOZLH-HBFSDRIKSA-N 412.578 4.678 0 1 HJAF CC(=CCO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(COC(=O)CCC(=O)O)CC[C@H]1C 2356496751 ZHDNTNMAWDHSRT-ZOGBDMNLSA-N 406.563 4.892 0 1 HJAF COc1ccc2c(c1O)N(c1ccccc1)[C@@H]1CC[C@]34CCCN5CC[C@@]21[C@]53OCC4 2356561533 GWUGNKKPSKDRBY-DMKHAHDWSA-N 418.537 4.555 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@@]1(C)CCC[C@H]2C1=CCCC2(C)C 2356788773 CLIMBDYMVVYQHF-OKFYXZINSA-N 408.579 4.813 0 1 HJAF COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)c1OC 773599 PXSQZTLKGDSZAU-UHFFFAOYSA-N 422.412 4.688 0 1 HJAF COc1ccc(C2(C(=O)OCCN3CCC(c4ccccc4)CC3)CCCC2)cc1 13737402 KDGLKLLIPVBKCS-UHFFFAOYSA-N 407.554 4.930 0 1 HJAF COC(=O)[C@@H](NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1 13762352 MTIOIZSHSVNIRX-NRFANRHFSA-N 402.475 4.607 0 1 HJAF Cc1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(C)n1-c1ccccc1 27732903 WNFLCKCKUBDEAY-ITWZMISCSA-N 423.484 4.500 0 1 HJAF COc1cccc(-c2nc(SC)nc3sc(C(=O)N(C)C(C)(C)C)c(N)c23)c1 38157699 DMRRHPRFHJRTBN-UHFFFAOYSA-N 416.572 4.542 0 1 HJAF CCOC(=O)C1=CN(C(=O)c2ccc(Cl)cc2)C[C@@H](C)c2c1[nH]c1ccccc21 38727817 KGLPNKZEJPFLFT-CQSZACIVSA-N 408.885 4.985 0 1 HJAF COc1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)cc1 40425082 OFLKEFYRFADJQE-UHFFFAOYSA-N 401.451 4.944 0 1 HJAF C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)NCC[C@H]1CCCN1C 45210417 SRQRTWAZOHAZBY-ISKFKSNPSA-N 410.602 4.930 0 1 HJAF COc1cc(-c2ncc(N[C@@H](C)c3ccc(F)cc3)cn2)ccc1-n1cnc(C)c1 72176449 UIZLOCWDIYJMRY-INIZCTEOSA-N 403.461 4.959 0 1 HJAF COc1cc2nc(N(C)Cc3ccccc3)nc(NCc3cccs3)c2cc1OC 82125110 YIDSSGFULWZDLR-UHFFFAOYSA-N 420.538 4.957 0 1 HJAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82142497 QISRWZVGWOGTNK-UHFFFAOYSA-N 404.514 4.698 0 1 HJAF Cc1cccc(-c2nc(NCc3ccc(F)cc3)sc2-c2ccc3ncnn3c2)n1 84739564 PNNHSDGMXFKVRN-UHFFFAOYSA-N 416.485 4.974 0 1 HJAF CCNc1ncn(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc(C(C)C)nc1-2 100389536 CGFRGBQJWVFTRF-UHFFFAOYSA-N 409.534 4.711 0 1 HJAF CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)[C@@H](C)NC4=O)nc2ccccc21 117690887 CYXJILQKECKNGH-CABCVRRESA-N 415.497 4.517 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@@]4(C)[C@@H]3CC[C@@]12C 169713535 CJNYDPBXKCGRGK-WYNYQOBHSA-N 402.623 4.580 0 1 HJAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 215283577 QYXQOGJGZPCFBE-KRXBUXKQSA-N 423.727 4.645 0 1 HJAF Cc1ccc(-c2nc(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)co2)cc1 473153943 DJFZPLSLKQQOLG-UHFFFAOYSA-N 418.493 4.516 0 1 HJAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C 586933444 RVYJWEBECNNRTQ-AWEZNQCLSA-N 411.877 4.652 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccnc(Cl)c3[nH]2)c1 587050153 UVDVFYKDBWVUIN-SREVYHEPSA-N 418.284 4.655 0 1 HJAF Cc1onc(-c2nc3c(Br)cncc3[nH]2)c1COc1ccccc1Cl 587062945 DCJUFUFMAUPYDD-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF N=c1[nH]c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc-2c(Cl)[nH]1 587070264 HIJPJPXVLOUVOZ-TWGQIWQCSA-N 412.280 4.773 0 1 HJAF COC(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587128956 GFTLLOMSOQAVGQ-LURJTMIESA-N 404.751 4.684 0 1 HJAF CC(C)(C)OC(=O)NCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336109 LLSTWNKPOPVKII-WMZHIEFXSA-N 415.461 4.564 0 1 HJAF COc1ccc(-c2nc3scc(C)n3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587412400 BRYIIARUPGZJFP-IBGZPJMESA-N 419.506 4.977 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(Br)c1)[C@@H](C2)C3=O 587413702 PDAGASREOLBTPK-GTNSWQLSSA-N 424.088 4.709 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)CC2=O 587478907 AGJJDPFRNAEYHJ-HOOSLVGPSA-N 415.530 4.858 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1cccs1)CC2=O 587494892 NZHKHJUSKSAMAJ-JOCHJYFZSA-N 416.495 4.638 0 1 HJAF O=C(c1sc2ccccc2c1-n1cccc1)n1ncc2ccc(Cl)cc2c1=O 587654635 WWKCQJLREYGCFR-UHFFFAOYSA-N 405.866 4.744 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)no1 587656584 GQUOUFGDNALJBX-UHFFFAOYSA-N 418.815 4.895 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N1 587731028 GRFXZNSIJVULQR-MPBGBICISA-N 418.285 4.596 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cnccn3)cc2)N1 587776560 XZVIEURTODOYIH-MPBGBICISA-N 414.278 4.794 0 1 HJAF CC(C)Oc1ccc([C@]2(CC3OCCO3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963100671 ISQHKPGSNQZURZ-CJFMBICVSA-N 411.517 4.640 0 1 HJAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1cccnc1-c1cccs1 963186904 KLZIUQGNGYKXGB-JOCHJYFZSA-N 422.550 4.568 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccs1)c1oc2ccccc2c1N 963637458 SIHVCIWABFZEFI-JBEBIEQOSA-N 420.534 4.920 0 1 HJAF O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)ccc2Br)CC1 1857567375 IOVXXWSLMSHSGM-UHFFFAOYSA-N 422.706 4.543 0 1 HJAF CO[C@@H]1CC(=C2C=CC=N2)N[C@]12O[C@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@H]12 2356340668 VCQKVUNLUXMOER-VKMQIXFHSA-N 409.574 4.977 0 1 HJAF CCC1=Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Sc2ccc(C)cc21 4930190 ZCHGTPCLTSTBPE-UHFFFAOYSA-N 422.550 4.970 0 3 HJAF O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1 8829391 GYCVNQUWDNNAPW-HNNXBMFYSA-N 417.214 4.822 0 3 HJAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2 5070916 GRBVTMYPYRNUJW-JTHBVZDNSA-N 422.569 4.504 0 1 HJAF C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)C1CCCCC1)CC3 13817592 OXWKINZCHUYRCQ-SFHVURJKSA-N 420.553 4.587 0 1 HJAF O=C(CCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1 28704751 VZCSIYVBXTVENG-UHFFFAOYSA-N 417.336 4.788 0 1 HJAF O[C@@H]1COc2c(Cl)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127268 AHWOQIIPUGRKNG-ZDUSSCGKSA-N 421.806 4.855 0 1 HJAF CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1 40429849 PGMRWJOSCVZPRO-UHFFFAOYSA-N 423.626 4.633 0 1 HJAF in-vitro O=C(CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1)c1ccccc1 40895174 KPHJUZLFHQUVJO-UHFFFAOYSA-N 405.306 4.643 0 1 HJAF CCc1cc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)ccc1C 95584952 ISYSJVUFTUUSTF-QHCPKHFHSA-N 405.563 4.994 0 1 HJAF CCOC(=O)c1cc2c(-c3cccnc3)nn(-c3ccccc3)c2nc1-c1cccnc1 96914392 GVLPCTDJYXRUBF-UHFFFAOYSA-N 421.460 4.721 0 1 HJAF COC1=C[C@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169299371 FDWHRNRDGMYDCB-FPDPHYFHSA-N 403.448 4.628 0 1 HJAF O=C1CN([C@H]2CCCc3c(OCc4ccncc4)cccc32)C(=O)N1C1CCCCC1 230567934 JRKQFFUXSICRDR-QFIPXVFZSA-N 419.525 4.635 0 1 HJAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)cc1 586879070 DFGSVUAUWXHWRW-UHFFFAOYSA-N 410.521 4.851 0 1 HJAF COc1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c12 586919917 JHQDDAKAHCFTJS-UHFFFAOYSA-N 416.977 4.857 0 1 HJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(C)c(C)c2[nH]1 586963651 PRPLZFWPLSPXBJ-ZDUSSCGKSA-N 407.337 4.990 0 1 HJAF Cc1cnc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586965626 MYRWDHJXFLSRBY-UHFFFAOYSA-N 410.934 4.729 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(NNc1ccccc1)=CC3 586987302 MTJGYYZPFXSDHV-UHFFFAOYSA-N 405.457 4.751 0 1 HJAF Cc1ccc(C)c2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 587107904 NJEUXTVNYJVJHQ-HNNXBMFYSA-N 423.460 4.724 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1 587191030 KKFGREWKFKRJLL-OAHLLOKOSA-N 417.307 4.677 0 1 HJAF CC(=O)c1c(C)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587343647 CZSKAJWSFRXUAP-XUZZJYLKSA-N 407.441 4.953 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1cccnc1)O2 587372224 ONSWHKRULZQXJW-NRFANRHFSA-N 409.283 4.644 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3cccc(Br)c3)C1)CC2=O 587458367 SHZJCRBNQNMDCR-NRFANRHFSA-N 416.315 4.722 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3occc3C(=O)O)c1)CC2=O 587484110 RULGYFWCUSEMKS-OAQYLSRUSA-N 422.433 4.921 0 1 HJAF C[C@@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558149 QNVAWEGNANSMJN-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C)C(=O)O)(c2ccccc2F)N1 587726329 IJYLPZPKAJHFPU-HTGLOVNISA-N 424.285 4.616 0 1 HJAF CCn1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756362 KIABWSWCZSRJDY-FKIZINRSSA-N 402.311 4.756 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825099 FPTPVCVSZNLIGJ-PSDSMZFISA-N 408.355 4.669 0 1 HJAF COc1cc2c(cc1OC)[C@](C[C@H](C)CC(=O)O)(c1ccc(C)cc1)N(C)[C@H](C)C2 962575015 VHCYIKQBPWTAJB-GAKIBJFNSA-N 411.542 4.633 0 1 HJAF Fc1ccc([C@]2(c3ncc[nH]3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962642099 NNQBZFLOBREBCS-RPLLCQBOSA-N 424.523 4.588 0 1 HJAF CC(=CCCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O)CCC1=C(C)CCCC1(C)C 1857742903 FGJIDQWRRLDGDB-NHTMILBNSA-N 416.558 4.855 0 1 HJAF CCc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1 1857772977 YUQUVIKPEWMIPQ-UHFFFAOYSA-N 412.419 4.554 0 1 HJAF CC(C)c1cc(-c2ccccn2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 3777260 CYYFWLRWUQEXDC-WOJBJXKFSA-N 422.500 4.936 0 1 HJAF CCC1(CC)C(=O)N(COC(=O)c2ccccc2)[C@@H]1Sc1nc2ccccc2o1 26013872 GAPNSNCEXJFVQX-HXUWFJFHSA-N 410.495 4.709 0 1 HJAF C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1 28472953 YBMIUFPRKJPNPB-SNVBAGLBSA-N 403.718 4.692 0 1 HJAF CN(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 36188579 OKVPDEXTEJGPIM-GJQMUCLYSA-N 406.570 4.563 0 1 HJAF CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1 40431283 LFCSRKWDQRKALF-UHFFFAOYSA-N 407.602 4.809 0 1 HJAF in-vitro O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(-n2cccc2)c1 45386859 AEXBTHAGIOLXFV-UHFFFAOYSA-N 410.433 4.692 0 1 HJAF COC(=O)[C@]1(C)CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 66075793 IEZCHQUTYWCVKQ-FQEVSTJZSA-N 402.372 4.705 0 1 HJAF C[C@@H]1CCC[C@@H](C)N1Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66259184 IUALIHPRDXWTSS-CZIZLABSSA-N 403.828 4.894 0 1 HJAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C 82132668 FIBPLPFCPUVXJF-LMQGHGSNSA-N 404.558 4.544 0 1 HJAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104004109 KSDROZSPRYTMDN-QFIPXVFZSA-N 417.465 4.566 0 1 HJAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C)cc2)c1 142610477 RPVLLMXTTVZPMM-SFHVURJKSA-N 402.494 4.679 0 1 HJAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](C4)[C@@H]3c3nc4ccccc4[nH]3)ccnc2N1 150305275 UDDWKWDIETXXHS-IMRHEYAYSA-N 408.461 4.688 0 1 HJAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(Cl)c3)[C@H]21 169304696 KOLLVHWFANDHOV-NRFANRHFSA-N 420.852 4.677 0 1 HJAF CCCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 299854539 AEZYKYDDRKCISD-UHFFFAOYSA-N 417.527 4.812 0 1 HJAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(O)ncnc2[nH]1 587018584 ITGNPMJUMCBHNX-UHFFFAOYSA-N 406.298 4.815 0 1 HJAF O=c1cccc(-c2nc3cc(F)c(Cl)cc3[nH]2)n1CCOc1ccccc1Cl 587063984 HPMJXIPBODJUOU-UHFFFAOYSA-N 418.255 4.917 0 1 HJAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(F)c2[nH]1 587141302 OKOHMTXWRWIOTO-MRXNPFEDSA-N 413.877 4.560 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)c1ccccc1 587221219 UJWKMCVIMFORRN-SFHVURJKSA-N 424.273 4.984 0 1 HJAF O=C(CCSc1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 587276179 MNOZASIJVBMQNB-UHFFFAOYSA-N 410.264 4.587 0 1 HJAF O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1coc2ccc(Cl)cc12 587278740 JZVUQHVFHRPHDP-UHFFFAOYSA-N 417.914 4.882 0 1 HJAF COCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587373997 WFKJCFAOYYXKCW-FQEVSTJZSA-N 404.304 4.627 0 1 HJAF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1-c1ccccc1Cl 587377045 GHZDUEOFRYEMTH-FQEVSTJZSA-N 410.857 4.514 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc4c(s1)C[C@@H](c1ccccc1)CC4)[C@@H](C2)C3=O 587451086 HUSQCTPNVHVVRK-XBCBRRGRSA-N 403.503 4.913 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CCOC)c3ccc(OC)cc13)CC2=O 587477918 VWVZODKQZMSVAT-HSZRJFAPSA-N 409.482 4.661 0 1 HJAF O=C1C[C@@]2(C[C@H](NC(=O)C(F)(F)F)c3ccccc32)Oc2c1ccc1c2CCCC1 587503120 WVIRKUKHCZROGW-PGRDOPGGSA-N 415.411 4.549 0 1 HJAF CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587504426 JLTRYSPADPNWPO-VWLOTQADSA-N 405.494 4.581 0 1 HJAF CC(C)(C)OC(=O)N1[C@@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587516235 AWFBUBIDTMHXCL-NTKDMRAZSA-N 415.530 4.661 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1 587580332 XDNLXYPESAQSKA-WVBBGBOVSA-N 419.477 4.692 0 1 HJAF CN(C)C(=O)Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612032 ILXSLZOTPAAERO-UGKGYDQZSA-N 421.474 4.869 0 1 HJAF CSc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658984 XIWSXQZTSDYBBL-UHFFFAOYSA-N 408.429 4.752 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(C(F)(F)F)N1 587706434 QAICKVPPTIOCIM-HWPZZCPQSA-N 403.217 4.518 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCN(C)C)cc2)N1 587741529 OCXDSOCAOMOWKG-SPLOXXLWSA-N 421.354 4.542 0 1 HJAF C[C@H]1CCCC[C@@H]1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587771677 WMRITBAWNQGSAZ-DAYGRLMNSA-N 409.387 4.992 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794821 GZLQVPIRTBDEBA-ZINOCKGTSA-N 412.343 4.707 0 1 HJAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587835641 WXRGBJGAAHRRGC-GQNMWPQZSA-N 420.322 4.554 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3Br)n2)cc1 587924239 NVPXLNKGCUMBCZ-UHFFFAOYSA-N 409.330 4.611 0 1 HJAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)c1 587933567 QSDSNVCUGYDPNI-UHFFFAOYSA-N 403.482 4.552 0 1 HJAF Oc1cc(-c2ccco2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587946802 XZIAGBJJHTZOLG-UHFFFAOYSA-N 403.413 4.745 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cc(F)cc(F)c1)c1ccc(C)cn1 963609398 NGYDLDROPRCAEZ-IZHWHUGBSA-N 410.464 4.512 0 1 HJAF COC(=O)C=C(OC)[C@@H](C)[C@@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)OC 2356669730 LRTJMINIVSPVMX-XJKSGUPXSA-N 422.572 4.758 0 1 HJAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCCN3CCCC3)nc(C)nc21 7991789 CWTQLOXUSDCSMW-UHFFFAOYSA-N 410.541 4.639 0 1 HJAF COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C)CC3)c2c1 20381222 QINBILDPXGQIFE-UHFFFAOYSA-N 410.539 4.621 0 1 HJAF CSc1c(Cl)nc(NCc2ccc(C(C)(C)C)cc2)nc1N1CCN(C)CC1 29231563 KXBMAQFWFVNYCR-UHFFFAOYSA-N 420.026 4.513 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cnc2ccccc21)C(F)(F)F 34802065 JJSZJRHRVRGDNH-FQEVSTJZSA-N 410.411 4.845 0 1 HJAF COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1Br 45384249 SCKHJYQNEIVLRE-UHFFFAOYSA-N 411.255 4.632 0 1 HJAF Cn1c(-c2ccc(C(=O)NC3CCC3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71329278 INFTUHKDVWAXHL-UHFFFAOYSA-N 420.944 4.888 0 1 HJAF Cc1ccc(CNc2nc(CN3CCC[C@H]3c3nccs3)nc3ccccc23)o1 71937212 UCQPYSQFGBFLHC-IBGZPJMESA-N 405.527 4.937 0 1 HJAF COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 82180673 GJFVODDYOUQTGD-UHFFFAOYSA-N 423.904 4.875 0 1 HJAF O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(-c3cocn3)cc2)c(F)c1 95584219 VQVIUVJIYBPEPE-UHFFFAOYSA-N 417.443 4.530 0 1 HJAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc(-c2nc3ccccc3s2)c1 96901596 GUGQLGOBTCENLJ-UHFFFAOYSA-N 409.536 4.715 0 1 HJAF CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(NC1CCCCC1)S2 96938421 ZXEORHJRRGZYCJ-AVRDEDQJSA-N 417.575 4.635 0 1 HJAF CC(C)c1ccc(NC(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 101271115 JAPNJOSCRVYGQR-WOJBJXKFSA-N 412.555 4.811 0 1 HJAF CCOc1cc2c(cc1OCC)-c1cc3cc(O)c(OCC)c(OCC)c3c[n+]1CC2 103539195 ZLGDLEKWPLBZFA-UHFFFAOYSA-O 424.517 4.651 0 1 HJAF biogenic,in-vitro O=c1cc(Cc2ccccc2)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12 136033438 DFJOSEDRGILYAK-UHFFFAOYSA-N 403.791 4.953 0 1 HJAF CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCOCC2)cc1 169333766 ALRDRJOEABTWMB-XMMPIXPASA-N 422.569 4.846 0 1 HJAF COc1cc(C(=O)NCc2ccc(OCC(C)C)cc2Cl)ccc1-c1cn[nH]c1 213997065 JWKUAFMUXITGGX-UHFFFAOYSA-N 413.905 4.704 0 1 HJAF C[C@H]1c2[nH]nc(C(F)(F)F)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 225974625 TWKJBIQGDZQHBV-ZETCQYMHSA-N 411.733 4.860 0 1 HJAF CC(C)C1=N[C@@](C)(C2=N[C@@](C)(C3=N[C@](C)(c4nccs4)CS3)CS2)CS1 238760139 AAZNLXXTBVTBKQ-RCCFBDPRSA-N 424.686 4.968 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@H]4[C@@H]3C2=O)cc1 263596924 GECBHJXRQAUPDJ-YAKVFXAGSA-N 400.478 4.737 0 1 HJAF COc1cc(Br)c([C@H](N)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC 586976487 UYBPIEKMCRVUIE-SFHVURJKSA-N 418.335 4.688 0 1 HJAF O=C(O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000268 KMILPAUYHMTEMY-UHFFFAOYSA-N 423.270 4.698 0 1 HJAF COc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl 587001614 OOUMFQDAONEPEW-NSCUHMNNSA-N 421.678 4.929 0 1 HJAF Cc1nc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1Br 587015361 BFIMEAIPNBFYGI-UHFFFAOYSA-N 413.300 4.754 0 1 HJAF Nc1nc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cs1 587022466 XENIYMXPZYWJSK-UHFFFAOYSA-N 407.243 4.976 0 1 HJAF Nc1c(-c2nc3ccc(Br)nc3[nH]2)sc2cc(Br)ccc12 587031813 PSEMOHRYLGXIBX-UHFFFAOYSA-N 424.121 4.947 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1cccc(Cl)c1 587072462 XNZGQZYACDYNMS-MRXNPFEDSA-N 415.877 4.723 0 1 HJAF C[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129444 KSDOAXKITRNFBX-SSDOTTSWSA-N 417.794 4.599 0 1 HJAF N[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1F 587152038 YCPZAHKGKCNNLS-LBPRGKRZSA-N 406.152 4.671 0 1 HJAF COc1ccccc1N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350187 YZQCTIHKVVURRK-UKILVPOCSA-N 419.452 4.548 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1C=O 587400994 TXUFYUMLEJRIAC-DEOSSOPVSA-N 417.461 4.684 0 1 HJAF COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401863 ZJEZXJZGBZZDCB-VWLOTQADSA-N 401.462 4.668 0 1 HJAF COc1cccc(COc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 587445067 WHUGRNRUGNHBBY-BWKNWUBXSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccc(Cl)cn3)c1C)CC2=O 587462692 QOYMQFORISWYFZ-QFIPXVFZSA-N 411.889 4.768 0 1 HJAF Cc1nc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549420 WVHHEEBVZATFCK-XLIONFOSSA-N 412.239 4.561 0 1 HJAF C[C@@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551688 IKVUVZTWRWRIGK-UZLBHIALSA-N 402.233 4.971 0 1 HJAF CC[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590336 CAQIKMGANKRHPP-URXFXBBRSA-N 406.434 4.677 0 1 HJAF Cn1nc(-c2cccs2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611869 KKGYVYMJRJSGFR-DENIHFKCSA-N 404.447 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(C(F)(F)F)N1 587703867 HJSJBYAOLJBGTC-QLJPJBMISA-N 403.217 4.518 0 1 HJAF Cc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587718601 OCELHNJWZYEENC-FVMDXXJSSA-N 401.226 4.517 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720833 VBLPEQJXFJIRKM-VVVCHXIZSA-N 416.237 4.822 0 1 HJAF COc1ccccc1C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809881 VORSAIWICNXTEL-ODXCJYRJSA-N 406.295 4.619 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1Oc1ccccc1 587814000 XLNGROIQLPYKCU-SNLNFDIBSA-N 420.322 4.574 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2 587828886 ATOFGZWDOSKGDY-XAAFQQQXSA-N 420.322 4.934 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2cccs2)N1 587849387 UAUUEUFZYMNEDV-ZMZPIMSZSA-N 412.324 4.682 0 1 HJAF C[C@@]1(c2ccc(OCC(F)(F)F)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732336 ZQTGBVJBUKKVQA-WMZOPIPTSA-N 417.349 4.537 0 1 HJAF CCCN1[C@H](c2cccn2S(=O)(=O)c2ccc(C)cc2)c2ccccc2C[C@H]1C 963227513 JLCXVUIUHIOLQE-DVECYGJZSA-N 408.567 4.780 0 1 HJAF O=C(O)/C=C/c1ccc(-c2cccc(CO)c2)c(NC(=O)CCc2ccccc2)c1 1857608893 ZQXXQPSOYQDECN-SDNWHVSQSA-N 401.462 4.515 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](O)[C@]2(C(N)=O)CC(=O)O[C@@H]12 2356792239 JMHANOYCULWORK-UMXIMWEHSA-N 415.574 4.664 0 1 HJAF Brc1ccc(-c2nnc3sc(CN4CCc5ccccc54)cn23)cc1 2467083 DHVXTACRBFEBES-UHFFFAOYSA-N 411.328 4.783 0 1 HJAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC1(CCCCC1)O2 5070921 GRBVTMYPYRNUJW-FYYLOGMGSA-N 422.569 4.504 0 1 HJAF Cc1ccc(C(=O)NC[C@@H]2CN=C(c3ccc(F)cc3)c3ccc(C)cc3N2C)cc1 26280045 RWJNKNFUNQGDEQ-QFIPXVFZSA-N 415.512 4.528 0 1 HJAF COc1ccc(OC(F)(F)F)cc1C1=C[C@]2(CCCN[C@H]2c2ccccc2)OC1 26651187 ZACQZIWOFJIWSX-SFTDATJTSA-N 405.416 4.871 0 1 HJAF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl 34891865 TXKKRFMQAMLXOL-QGZVFWFLSA-N 421.868 4.714 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Nc3ccc(F)cc3Cl)c1NC2 38149525 KQCWEQIRGCTXLN-UHFFFAOYSA-N 402.813 4.748 0 1 HJAF Cc1cc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)n[nH]c1=O 40917040 RTLIPAVTCZOXAO-UHFFFAOYSA-N 405.679 4.877 0 1 HJAF C[C@H]1CN(Cc2cccc(F)c2)CCN1c1ccc(NC(=O)c2cccs2)cc1 45303118 RBSFDBLRJBHMAQ-KRWDZBQOSA-N 409.530 4.850 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 73157358 VPEUHJYRWRUAQG-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF CN(C)c1ccc([C@@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)cc1 82078047 HEODHUUWMQVVFZ-OAHLLOKOSA-N 412.412 4.587 0 1 HJAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N2CCC(C)CC2)c1 82146627 LBPDKRFJPLNAHY-WOJBJXKFSA-N 406.574 4.806 0 1 HJAF CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82194857 BZMBSFMSHKRCLP-OXJNMPFZSA-N 401.576 4.817 0 1 HJAF CCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl 95591757 UWMUPHRMONIRRW-UHFFFAOYSA-N 419.312 4.885 0 1 HJAF COCc1c(C(=O)OC(C)C)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2 100806150 XRAXGFWJSVWBHB-UHFFFAOYSA-N 404.466 4.958 0 1 HJAF in-man O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@H](c3ccccc3)C2)cc1 103216806 DKAZABRDWZNOHD-FQEVSTJZSA-N 421.403 4.792 0 1 HJAF N#Cc1cccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2cccc(F)c2)c1 115918637 SAGRDSSSFHDVJD-UHFFFAOYSA-N 406.413 4.884 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@@H](O)c3ccc(C)cc3)CC2)cc1 169327142 IYMXQEGISZYEID-SVBPBHIXSA-N 416.565 4.596 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C\C[C@H](O)/C(C)=C\CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 169363896 BEGZWCKKXIZDII-VYCWAPNYSA-N 404.547 4.816 0 1 HJAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587062257 PICUPEVCIBMSEO-GOSISDBHSA-N 421.950 4.777 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2c(C)cc(Cl)cc2[nH]1 587180171 DJZOERHJPZXNLR-VIFPVBQESA-N 414.678 4.964 0 1 HJAF O=C(c1coc2ccc(Cl)cc12)C1CCN(c2nccc(C(F)(F)F)n2)CC1 587278708 RUWPRTSPYIFRQE-UHFFFAOYSA-N 409.795 4.994 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccncc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 587350268 WWHROXXUIGEYMA-ILBGXUMGSA-N 419.452 4.607 0 1 HJAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587350936 LWXDFNQYOJRWDE-LADGPHEKSA-N 408.425 4.823 0 1 HJAF CCOP(=O)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC 587359512 HWSMJOOKSOEBNG-PZJWPPBQSA-N 422.389 4.915 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)nc3ncccn13)O2 587380060 OZWIYUCJMAPTIG-GOSISDBHSA-N 404.857 4.647 0 1 HJAF CCOc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393833 NSGPEKPLWGHSFA-OAQYLSRUSA-N 413.477 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Br 587568456 LXOBYCRJQZHVEX-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF COCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573289 VQCCDZLAGSWOJL-URXFXBBRSA-N 408.425 4.815 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587588198 JZEVEXOTDADRBT-AUSIDOKSSA-N 415.401 4.583 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ncccn2)c1 587588684 UNFNHZOQUWUDLP-NFBKMPQASA-N 412.401 4.677 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)nc2)N1 587678519 DAPUQKCVHIUKSN-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587692724 LOGNOZIMOMNFIR-DYBLOJMWSA-N 414.702 4.882 0 1 HJAF Cc1cc(Cl)c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587704936 LJRMHHOZLLOWOV-BMLIUANNSA-N 408.702 4.821 0 1 HJAF COc1ccccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587708189 ZTVXGUOGFDZCEM-QGHHPUGFSA-N 418.228 4.937 0 1 HJAF COc1cc(F)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587722685 ZPXIZWNIQHHWAZ-APBUJDDRSA-N 412.274 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ccc(F)cc2)N1 587727765 DHHKEIRLNLDTJP-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF Cc1nccn1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754994 NNBSFZFZCAYRPZ-MPBGBICISA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2-c2ccccc2)N1 587761748 VOBAIVKHSQREFW-RNODOKPDSA-N 400.295 4.572 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(Cc3ccccc3)c2)N1 587762445 DVXCFNQILLKNTO-QKKBWIMNSA-N 414.322 4.631 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798978 QPRRXIURXLIEKD-FPSMJMQUSA-N 420.322 4.685 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)cc1Cl 587864065 CCAIBMSYNCIEFR-UHFFFAOYSA-N 412.799 4.526 0 1 HJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1 587928836 CEJLUWRGALLAJI-ACJLOTCBSA-N 404.251 4.621 0 1 HJAF COc1ccc2c(c1)[C@](c1nccc3ccccc13)(c1nccn1C)N(C(C)C)CC2 962088337 GRXOVVLEHSYAEK-SANMLTNESA-N 412.537 4.535 0 1 HJAF COC(=O)C[C@@H]1CCCCC[C@@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962629995 DAPZBRHLJXJFRI-DPPGTGKWSA-N 418.581 4.772 0 1 HJAF CC(C)(C)OC(=O)N1CC2(C1)C[C@]1(CS2)NCCc2cc(-c3ccccc3)ccc21 962667989 NSAWYHFDCFRAAV-RUZDIDTESA-N 422.594 4.821 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]12CCC=C(NNc1ccc(F)cc1)C2 963288540 DGTOZHRZGJZHQE-NRFANRHFSA-N 416.338 4.956 0 1 HJAF COC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](F)C2)cc1 1772577595 HVWMGCKOXCFOFW-QMHKHESXSA-N 412.505 4.919 0 1 HJAF Cc1cc(-c2nc(-c3ccc(C)c(OCC4CC4)c3)n3c2CCO[C@H](C)C3)ccn1 1772584802 SDFUPTXFWGOJSL-GOSISDBHSA-N 403.526 4.979 0 1 HJAF Cc1nnc(-c2ccc(OCc3cnnn3Cc3ccc(Cl)cc3Cl)cc2)o1 1857756377 LRUAYFNQMYMPEU-UHFFFAOYSA-N 416.268 4.571 0 1 HJAF COC(=O)CCC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@]12C 2356378985 ZFHOCBSSUADVIP-UWHHFBIGSA-N 420.590 4.979 0 1 HJAF CC=C(C)C(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]2CC[C@H]1C3 2356468887 UIUJNISMUICRML-DRBKPPRRSA-N 404.591 4.631 0 1 HJAF COc1ccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)OCC(C)C)on2)c(C)c1 61896695 YUGLSJDGFNRWLM-LJQANCHMSA-N 415.490 4.564 0 3 HJAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)Cc4ccccc4)[C@@H]3CC[C@@H]12 13740913 PIZOWAHAZOYXFC-YXRHCOCTSA-N 422.613 4.877 0 1 HJAF COc1cccc(C(=O)CCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1 13804232 NMIDBRJGNPMELY-UHFFFAOYSA-N 400.950 4.914 0 1 HJAF Oc1ccc(Cl)c([C@@H]2NCCN[C@@H]2c2c(Cl)ccc(O)c2Cl)c1Cl 22925793 GTCLCHJVDIERAV-IYBDPMFKSA-N 408.112 4.687 0 1 HJAF NC(=O)c1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc23)cc1 28525318 PPOXITLESUUUPJ-UHFFFAOYSA-N 419.282 4.902 0 1 HJAF CC(C)(C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccc(F)cc1O 34633696 YUMWHZCQHQAPAQ-OAQYLSRUSA-N 423.406 4.508 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 36189265 FSHSFSWCXDGVQS-ABJSHLNNSA-N 406.570 4.847 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@@H](O)c3cccc(C)c3)CC2)cc1 39238992 COBAOKOUJPXTJY-SVBPBHIXSA-N 416.565 4.596 0 1 HJAF CCOP(=O)(/C=C\c1cc2c(s1)=C(C)O[P@@](=O)(OCC)C=2C)OCC 64454210 SVPRPQMBXFCCFY-DHSLYTQISA-N 406.377 4.501 0 1 HJAF CSc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCNC5)c(=O)c2)cc1 68248171 CBBVFFZERUKLMK-UHFFFAOYSA-N 415.562 4.754 0 1 HJAF CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)cc2OC)cs1 82197847 IMERZPZNIUSNMN-OAHLLOKOSA-N 405.564 4.572 0 1 HJAF O=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2n1Cc1ccccc1 87722976 GEGPEOGEYQEDMC-UHFFFAOYSA-N 424.504 4.551 0 1 HJAF Cc1ccn(-c2c(O)c3cc(-c4ccc(N5CCCC5)cc4)c(Cl)cc3[nH]c2=O)n1 95574836 LKZULKVBUILXDS-UHFFFAOYSA-N 420.900 4.648 0 1 HJAF O=C1CCS[C@H](c2ccco2)N1CCCNc1ccnc2cc(Cl)ccc12 98082408 KLWXIUHBQMGDHS-HXUWFJFHSA-N 401.919 4.948 0 1 HJAF CCCO[C@H]1CC[C@@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 114192727 PXORDJUYHQIUMZ-RXAXNXDRSA-N 403.542 4.542 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C 238749060 XDZFMGQNHRGIKY-MHFLAGKOSA-N 404.591 4.963 0 1 HJAF Nc1ccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1 299821724 KPLQVUMASFPJMG-RUCARUNLSA-N 402.498 4.696 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586882729 APMQDPCLCFHRCT-UASCKYALSA-N 411.141 4.951 0 1 HJAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C 586933209 NLEAZCYXEYUFAX-CQSZACIVSA-N 409.499 4.591 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(F)c(OC)c4N)[nH]c3c2)cc1 587132779 HLPVBVZRFUCKBF-UHFFFAOYSA-N 407.401 4.539 0 1 HJAF Cc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br 587160278 AAJZJWTWPSNLFC-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF Fc1ccc2c(c1)C[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)O2 587175347 YOAGKUOMQKFVHZ-GFCCVEGCSA-N 412.056 4.903 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(cnc3ccccc32)[nH]1 587181424 QOOFITQOKFEDKE-SNVBAGLBSA-N 417.254 4.550 0 1 HJAF CCCCCOc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1Br 587195142 RLKWZZGEVKIMFG-UHFFFAOYSA-N 418.339 4.726 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239591 LVYQOHKMUZPQSO-KFSOKAEPSA-N 422.529 4.666 0 1 HJAF O=C1c2ccc(O)cc2OC(c2ccncc2)(c2ccncc2)[C@@H]1c1ccc(F)cc1 587346832 NNEFNBSFFKJMLR-HSZRJFAPSA-N 412.420 4.624 0 1 HJAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356244 ZVMXIZIQOLHZLJ-CTZQYXLCSA-N 424.468 4.930 0 1 HJAF COc1ccc2c(c1Br)[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587371557 KSUDMVPKQSZBSS-HXUWFJFHSA-N 402.288 4.545 0 1 HJAF O=C1C[C@H](c2c(Br)ccc3c2OCO3)Oc2c1ccc1c2CCCC1 587495541 CUFVAAVOGVNVDF-QGZVFWFLSA-N 401.256 4.763 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC2CCCCC2)n1 587580492 IIQBDNXYFWGBJE-QPPBQGQZSA-N 404.466 4.872 0 1 HJAF CC(C)(C)OC(=O)CC12CC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2 587591695 DIXZGNBRKPKGNO-HTCGLLOCSA-N 422.477 4.625 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC1CCOCC1 587606817 FBGFXHDDRPCPHT-DHLKQENFSA-N 418.445 4.653 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccccc2)N1 587722880 UKUYDJAXSRVWKK-JEOXALJRSA-N 412.249 4.590 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2OC(F)(F)F)N1 587724139 ZXVVBFDEDCKYBF-PWJLMRLQSA-N 420.200 4.816 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587735755 UTTKILUECMVVIL-MPBGBICISA-N 418.285 4.711 0 1 HJAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795400 IUPOTUBRCZJZER-SPLOXXLWSA-N 420.322 4.546 0 1 HJAF COc1ccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587812356 ZPXFANNIDFASGN-YUNKPMOVSA-N 406.295 4.619 0 1 HJAF COc1ccc2c(c1)OCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587831998 ASKSLRORQOKMAM-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF CCCn1cc(Cl)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587861126 OFUYIKWNPXUSBV-UHFFFAOYSA-N 412.799 4.526 0 1 HJAF Cn1c(-c2ccccc2)cnc1[C@@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961750062 NTQFPPSFFXHDTL-NRFANRHFSA-N 408.343 4.791 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@](COc1ccccc1)(c1ccc(Cl)cc1)NCC2 962937889 SWSGTHDZULUCPH-RUZDIDTESA-N 420.940 4.510 0 1 HJAF COc1ccc2c(c1)[C@H](c1ccc(C(F)(F)F)nc1Br)N[C@@H]1CC[C@H]21 962991023 DBXHVBOJBHRBLR-XFJVYGCCSA-N 413.237 4.810 0 1 HJAF O=C1c2ccccc2[C@@]2(c3cc(O)ccc31)c1ccsc1CCN2Cc1cccnc1 962995399 GCEKZMLNPGMPSO-SANMLTNESA-N 424.525 4.743 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]31C(=O)c2ccccc2O[C@H]1c1ccccc1 963071101 VYJSRAOFWCCFOU-SVBPBHIXSA-N 422.484 4.601 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(c4c(F)cccc4C[C@@H]4CCCN43)[C@H]2C1 963106876 KJYWFNMVWFYTAC-GSRZOBFVSA-N 400.538 4.709 0 1 HJAF CCCOc1ccc2ccccc2c1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229818 QCOAMLOCCJSJBH-WIOPSUGQSA-N 412.489 4.865 0 1 HJAF Cc1cccc2c1[C@H](c1cc3ccoc3cn1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862633 DCCGFQUDKIRQFM-VGSWGCGISA-N 422.481 4.862 0 1 HJAF COCCn1cc(-c2nc(-c3cn(C)c4ncccc34)cs2)c2cc(OC)ccc21 1857760011 NDRLSZMMLUMUAN-UHFFFAOYSA-N 418.522 4.974 0 1 HJAF CC(C)C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921314 PAKMMLUPVPGIKD-FQEVSTJZSA-N 401.441 4.509 0 3 HJAF CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3Cl)N2C1=S 754283 NUDSXAJKYUQEBU-QAPCUYQASA-N 416.333 4.548 0 1 HJAF CC(C)(O)[C@@H]1C[C@@H]2O[C@]23[C@H](CC[C@]2(C)[C@@H]3CC[C@@H]3Cc4c([nH]c5ccccc45)[C@]32C)O1 1886946 ZUYOYPXENZYYBN-MYPVRYTISA-N 421.581 4.874 0 1 HJAF biogenic Cc1nc2cnccc2n1CCCO[C@@H]1CC[C@H](c2ccc(Br)cc2)O1 11687522 SPYYTKNLIQGHIL-UXHICEINSA-N 416.319 4.787 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@@H]1C 14612968 RNIZTMIJCBCDBR-DWVIRFORSA-N 414.454 4.515 0 1 HJAF COc1ccc2cnc(Nc3ccc(N4CC[C@H](N)C4)cc3)nc2c1C1CCCC1 14945400 WTNLHNBOLGKCHQ-SFHVURJKSA-N 403.530 4.577 0 1 HJAF COc1ccc(CN[C@H](CC(C)C)c2nc(C(C)C)c(N3CCOCC3)o2)cc1 72102396 LYNAVRCUPMJHBY-HXUWFJFHSA-N 401.551 4.520 0 1 HJAF Nc1c2c(nc3c1[C@H](c1cccs1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284153 PRYUGIMEVRSVAV-KRWDZBQOSA-N 402.475 4.996 0 1 HJAF CCCCc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 100705236 HOUBYMNHQMLRKY-UHFFFAOYSA-N 420.538 4.852 0 1 HJAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCCCCN3CCCCC3)c(O)c12 103271060 RAFCVMRMMPZYBQ-UHFFFAOYSA-N 409.482 4.516 0 1 HJAF CC(C)[C@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@@H]1c1ccccc1 169345794 XLFJDHLGNLFIHC-CVEARBPZSA-N 417.296 4.686 0 1 HJAF COc1cc(Nc2cncc(Oc3ccc4c(c3)[C@H](N=O)CC4)n2)cc(OC)c1OC 169686087 UEFMRHZQNCBFDF-QGZVFWFLSA-N 422.441 4.792 0 1 HJAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(-c3ccccc3)ccc21 169722175 XXIJBUACZUHBLC-OAQYLSRUSA-N 404.397 4.714 0 1 HJAF COc1cc(-c2cncn2C)ccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1 207616724 ODTPBANZPZOQPW-UHFFFAOYSA-N 410.481 4.788 0 1 HJAF CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 473086802 CTNWXLFLXHEAOM-UHFFFAOYSA-N 400.269 4.913 0 1 HJAF O=C(Nc1ccc(Cc2nc3ccc(F)cc3[nH]2)cc1)c1ccc(Br)o1 587007354 IOMOZLPCDVJOCC-UHFFFAOYSA-N 414.234 4.901 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(-c3[nH]c4ccc(F)cc4c3Cl)nc-2[nH]1 587175215 SLZDOOOIHOPAFF-UHFFFAOYSA-N 408.824 4.563 0 1 HJAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326734 CYHPWJQCCPFVTE-WMZHIEFXSA-N 423.827 4.700 0 1 HJAF COc1cccc(COc2c(OC)cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587397616 ADKJVIOQCVCFHV-QHCPKHFHSA-N 419.477 4.880 0 1 HJAF Nc1ccccc1[C@]1(c2ccccc2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587511114 NJFNUDVNWBNCHK-AREMUKBSSA-N 413.473 4.755 0 1 HJAF C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554080 GVLFGGZTXLEVLE-YEJXKQKISA-N 422.305 4.965 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568960 GQQFKJANJSXVGT-ZJSXRUAMSA-N 416.408 4.728 0 1 HJAF Cc1oc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587684646 ZJNGBTNZRGHZLT-MLXNANBUSA-N 403.089 4.876 0 1 HJAF CC[C@@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587804110 AUJBTMPVWDBFDE-ODXCJYRJSA-N 408.311 4.793 0 1 HJAF CC(=O)Oc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587808583 HBRJMLXUWBBRDH-ASSNKEHSSA-N 420.322 4.896 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587833290 MTXBRWYNUPRTKE-GIPWTMENSA-N 406.295 4.633 0 1 HJAF CS(=O)(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957208 IDJKADCVHDABAW-UHFFFAOYSA-N 408.564 4.885 0 1 HJAF Cc1sc2c(c1C)CCN[C@@]21CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 963015265 WSEGWVCXWCLOPO-KBXCAEBGSA-N 404.498 4.668 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(-c2cccc(C(=O)O)c2)cc1 963606599 ILCDZNSOWGFDHA-OYLFLEFRSA-N 403.478 4.693 0 1 HJAF C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2CO)C1 1857544547 KXOGPQCIYOFRQH-ZLQPLPCPSA-N 417.509 4.574 0 1 HJAF Cc1ccc(C(=O)N2CCC(Cn3c(C(C)C)nc4cc(C(=O)O)ccc43)CC2)cc1 1857583510 JKLUAMSINPGJDD-UHFFFAOYSA-N 419.525 4.719 0 1 HJAF C[C@@H]1CC[C@]2(C[C@]3(C)[C@H](C[C@@H]4[C@@H]5CC(=O)[C@@H]6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@H]43)O2)OC1 2356365105 FJILROSRRZNMAZ-KMDQOVNFSA-N 416.602 4.727 0 1 HJAF CC(=O)N1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)CN1c1cccc(Cl)c1 61920882 MQPMQSNOOFTFIJ-LJQANCHMSA-N 424.715 4.794 0 3 HJAF C[C@H]1CCC[C@@H](NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)[C@@H]1C 4586018 BKTOHJLNDSKXJS-NNMXDRDESA-N 422.598 4.837 0 1 HJAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC 13756932 YYSJYFVNZQEQDG-KRWDZBQOSA-N 415.331 4.686 0 1 HJAF COc1ccc2ccccc2c1-c1ccc(C(C)C)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26834871 WFMHEDHHCWBSIB-RTBURBONSA-N 407.510 4.897 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)C(C)(C)C)cn1 38151289 SQODDGQIFANIPN-IBGZPJMESA-N 408.498 4.956 0 1 HJAF O=C(Cc1c[nH]cn1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 45201081 MTKTZWAPGHHDFY-UHFFFAOYSA-N 411.440 4.940 0 1 HJAF CC[C@@H]1CCN(C)[C@@H](Nc2c(-c3nc4ccccc4[nH]3)c(=O)[nH]c3ccccc23)C1 52783841 TVMVUMUJXVSING-FOIQADDNSA-N 401.514 4.561 0 1 HJAF O=C(NCCOC(=O)Nc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 68586598 UGAVICBBLVCSNX-UHFFFAOYSA-N 401.772 4.729 0 1 HJAF biogenic COc1ccccc1COc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1 96285750 RJLXCRJXQSYWQK-UHFFFAOYSA-N 417.509 4.524 0 1 HJAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(F)ccc3F)cc2)c1 100094335 VFCSGJYEIMHZTG-LNWKWYTESA-N 406.476 4.580 0 1 HJAF CC(=O)OC[C@@H](O)COC(=O)[C@H]1C(C)=CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@]12C 238755826 DYTUXZFSCGIMIU-KHODRUNXSA-N 420.590 4.669 0 1 HJAF COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)[C@@H](OC)O2 238771444 VWSZNYHUCXFZPZ-QHCPKHFHSA-N 422.433 4.699 0 1 HJAF CO[C@@H](c1ccccc1)c1c(S(=O)(=O)C(F)(F)F)[nH]c2ccc(Cl)cc12 299824210 AVVKGLGNOIVEEN-HNNXBMFYSA-N 403.809 4.851 0 1 HJAF CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2ccccc21 473128632 DHJUHRDHIMROAQ-LGHCQICFSA-N 420.597 4.926 0 1 HJAF Cc1cc(Br)ccc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586981572 QOYHTNAFRZFDBC-UHFFFAOYSA-N 421.604 4.627 0 1 HJAF CN(C)CCOc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586989156 ZJMITLBPAQXFNR-UHFFFAOYSA-N 410.473 4.759 0 1 HJAF COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Cl)c1OCC(C)C 587045904 JHLPYGJYXLRCPQ-UHFFFAOYSA-N 400.788 4.687 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1[nH]c4ccccc4c1N)[C@@H](C2)C3=O 587438764 QTGMSIAYRIKUPE-SIBVEZHUSA-N 410.473 4.758 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1cccc(C(=O)O)c1)[C@@H](C2)C3=O 587449892 JXIZPUVWZMQOCW-CPJSRVTESA-N 400.430 4.723 0 1 HJAF O=C1C[C@H](c2cc3c(cc2Br)OCO3)Oc2c1ccc1c2CCCC1 587498603 OUESSQKWKOQITO-QGZVFWFLSA-N 401.256 4.763 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)F)c1O 587553079 DQLGOJSRRGVXJS-OXQOHEQNSA-N 418.323 4.699 0 1 HJAF C[C@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570024 JYCIYXWEHNWJEZ-XUZZJYLKSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccnc2O)c1 587584801 APHWPCLISYYTCD-XUZZJYLKSA-N 411.413 4.863 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(C(F)(F)F)N1 587707368 UNSXLFRKXMOEMG-QLJPJBMISA-N 403.217 4.518 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=COc1cc(O)ccc12 587708013 XKAXWVPQVOLRQT-LZVRBXCZSA-N 410.670 4.544 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587745410 WDSLSPONXGYAEJ-XCLFUZPHSA-N 405.311 4.675 0 1 HJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1 587750597 IZKRVYBPYVXBPQ-SAZGQGMLSA-N 421.354 4.809 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C 587758139 PTMNEJSQRFAQNY-XUSGNXJCSA-N 414.322 4.921 0 1 HJAF C[C@H]1CCCC[C@@H]1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768233 LXPFBFQOVLZYQN-MDOVXXIYSA-N 409.387 4.992 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587769069 MQXSQTUCGFPRNG-NSPYISDASA-N 401.279 4.585 0 1 HJAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587835642 WXRGBJGAAHRRGC-IBNJYYFUSA-N 420.322 4.554 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)c1 587932800 QOVBCEBPAZBNGS-UHFFFAOYSA-N 408.255 4.627 0 1 HJAF COc1cc2c(cc1OC)[C@H]([C@H]1CCCN(Cc3ccccc3)CC1)N(C)[C@H](C)C2 962639137 YEFQXPNOYLIMSO-DYRZZGSRSA-N 408.586 4.924 0 1 HJAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(F)cc1Br 962641537 SOUJAUKJTMEMMA-WYRIXSBYSA-N 424.310 4.580 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@](Cc1ccncc1)(c1ccc3ccccc3c1)NCC2 962925459 NCNJKVKNYGJXIF-NDEPHWFRSA-N 421.544 4.569 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@@H](F)[C@H](F)C1 1772624645 LFYFHYZDVFQHTH-HUUCEWRRSA-N 423.341 4.573 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(OC(F)(F)F)cn3)ccc2n1)N1CC[C@@H](F)C1 1772629620 CVGPTFLWNCNLTG-CYBMUJFWSA-N 421.350 4.505 0 1 HJAF CNc1cc(C)ccc1-c1cnc2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)c2c1 1857596069 RUPVAQKFOXCIOG-UHFFFAOYSA-N 404.470 4.668 0 1 HJAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cc(C(F)(F)F)ccc3F)ccc12 1857604938 PZWNBFPDTSJKGB-UHFFFAOYSA-N 424.346 4.774 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)C[C@H](C)CC[C@@]1(C)CCC[C@H]2C1=CCCC2(C)C 2356816476 DBLFDBTUHOGKHH-ZHNFZGJGSA-N 408.579 4.813 0 1 HJAF Cc1sc2nc(CN(Cc3ccccc3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C 1358986 QIGPJCWYVWXDOY-UHFFFAOYSA-N 424.570 4.646 0 3 HJAF COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)cc1OC 776307 INUIWLDOWMSVIE-UHFFFAOYSA-N 414.527 4.690 0 1 HJAF CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1I 13613039 SFOGUIVHNCTJNB-UHFFFAOYSA-N 423.294 4.790 0 1 HJAF Fc1ccc(C(OCCNC[C@H]2CNc3ccccc3O2)c2ccc(F)cc2)cc1 13780739 UIAPPCZOIGGXLT-NRFANRHFSA-N 410.464 4.534 0 1 HJAF CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@H](CC)Cc1ccc(C(C)(C)C)cc1 26652779 GVTQVJCNZQGOEE-YDLSIGKMSA-N 404.639 4.574 0 1 HJAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C)no1 28389806 RMGFIVKKLZZKNY-UHFFFAOYSA-N 424.235 4.860 0 1 HJAF c1ccc(CCN2CCC(Nc3nc4cccnc4n3Cc3ccccc3)CC2)cc1 29566306 SGJRNTAATUFCSN-UHFFFAOYSA-N 411.553 4.599 0 1 HJAF O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1 45245202 CPEKMCGEFOATRS-UHFFFAOYSA-N 413.565 4.672 0 1 HJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CSC)CC3=O 45245365 BIVKODIIFDSGPP-CYBMUJFWSA-N 400.496 4.627 0 1 HJAF O=C(NC1CC1)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49803646 OBYJOUBNBKAFRL-UHFFFAOYSA-N 423.365 4.549 0 1 HJAF O=C(O)c1ccccc1[C@@H]1CC(c2cc3ccccc3o2)=NN1C(=O)c1ccncc1 64552925 QXMCYJALHOYSIR-FQEVSTJZSA-N 411.417 4.518 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@H]1CCCN1C 82221785 DNPYRHUPXUYEFB-HXUWFJFHSA-N 420.605 4.820 0 1 HJAF CN(C)c1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1 100068190 ZCCMNJSIQYSXRX-UHFFFAOYSA-N 407.315 4.927 0 1 HJAF O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100107856 NDHGURROAMTUNH-SOTXCSMQSA-N 413.496 4.968 0 1 HJAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2cc(Cl)ccc2n1CC(=O)O 117016090 RRFRPZYDEVRXJE-UHFFFAOYSA-N 406.869 4.565 0 1 HJAF Cc1ccc(-n2nc(C3CCCCC3)cc2NC(=O)c2cnn3cccnc23)cc1 143362597 UIQIUKPOFFHGIT-UHFFFAOYSA-N 400.486 4.523 0 1 HJAF CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1 473098002 DZBZVBJGXOPZQC-OAHLLOKOSA-N 417.922 4.610 0 1 HJAF CC(C)Oc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br 586907044 JKRJYCCAURAGOC-NSHDSACASA-N 403.276 4.693 0 1 HJAF FC(F)(F)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586968581 ASCJQQFXTROXED-UHFFFAOYSA-N 420.372 4.653 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)cnc3[nH]2)c1 587047870 BEEWQVBOYUJWIE-VOTSOKGWSA-N 418.284 4.655 0 1 HJAF Cc1cc(Br)cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c12 587061782 YNNSXDMQUSQPDY-UHFFFAOYSA-N 414.694 4.993 0 1 HJAF O=S(=O)(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(F)cc1 587170447 CJXXIBFYDMPREZ-UHFFFAOYSA-N 401.850 4.823 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1 587218608 JZOBZRKUBVGTKH-KRWDZBQOSA-N 422.282 4.550 0 1 HJAF COC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335503 RDXORWIOOHVERN-GGAORHGYSA-N 414.379 4.710 0 1 HJAF Cn1cc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2n1 587343461 TXGOSSZCJSSLQK-XUZZJYLKSA-N 402.425 4.692 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccco2)(c2ccco2)[C@@H]1c1ccc(F)cc1 587348514 CVVQYMASWTXXKZ-QPPBQGQZSA-N 418.376 4.855 0 1 HJAF 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4.860 0 1 HJAF COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)c3ccccc3)on2)c(C)c1 61907075 UXBPCLVFQBDEIP-NRFANRHFSA-N 419.481 4.611 0 3 HJAF Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1-c1ccccc1 13741073 LIJDBXUVLDAURW-UHFFFAOYSA-N 407.495 4.670 0 1 HJAF Cc1cccc(C)c1OS(=O)(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 13747591 YTYSXPWMNUSSIR-UHFFFAOYSA-N 405.516 4.962 0 1 HJAF CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1 29054802 WUJDLNGQCIWAGZ-AWEZNQCLSA-N 414.456 4.601 0 1 HJAF COc1ccc([C@@]2(Cc3ccccn3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29472113 WXCYERGAHRNFJP-AREMUKBSSA-N 414.505 4.893 0 1 HJAF c1ccc(CCN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccncc4)=NN23)cc1 38147836 UDGRDEHNLPZGFP-RUZDIDTESA-N 424.548 4.660 0 1 HJAF CC(=O)O[C@@H](CO)COC(=O)[C@H]1[C@H](C)C=C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C 38900518 OXLDUPLBVQAEDE-SDIKMXJASA-N 420.590 4.525 0 1 HJAF CC[C@@H](C)[C@@H](CNC)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1 45287029 LIYBAVHECOQFTG-VGJNEJMRSA-N 403.699 4.869 0 1 HJAF 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XZFLSIOVOHRSCP-NRFANRHFSA-N 400.881 4.930 0 1 HJAF CC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 12055217 QTSPTHWBHBIHHW-MRXNPFEDSA-N 405.498 4.718 0 1 HJAF C/C(=C\CC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@H]1C)Cc1cc(C)co1 15047433 IVRBZHGZUKMJJC-ISLWHCAMSA-N 412.482 4.719 0 1 HJAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccc(Cl)cc3)c2=O)c1 25232620 LQBGEFNGCBSBDE-CTNGQTDRSA-N 415.924 4.660 0 1 HJAF biogenic COC(=O)[C@H]1CCC[C@@H](NCc2cc(/C=C/c3ccc(Cl)c(Cl)c3)[nH]n2)C1 26721983 AFUYHVGHOMOIJA-SJKUQHEZSA-N 408.329 4.708 0 1 HJAF CC[C@H](C)c1ncc([C@@H](C)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569377 QHPMUAOAKUZRQQ-WDEREUQCSA-N 410.358 4.751 0 1 HJAF Clc1ccccc1[C@@H]1CO[C@@](Cn2ccnc2)(c2ccc(Br)cc2)O1 28768765 FJJPPVXKHLHLHP-RBUKOAKNSA-N 419.706 4.940 0 1 HJAF COP(=O)(OC)O[C@H](C(C)(C)c1ccc(Cl)cc1)P(=O)(OC)OC 29222396 QTUHAXZQKRIRQV-ZDUSSCGKSA-N 400.732 4.847 0 1 HJAF COc1ccc(CCN2CCN(CCn3c4ccccc4c4ccccc43)CC2)cc1 34024387 CZUYPVGKHLGMJC-UHFFFAOYSA-N 413.565 4.663 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)CC[C@]2(C)[C@H]3CCCC(C)(C)C3=CC[C@]12C 34215708 MBGNGXKKJHWNGZ-CGPZZGQMSA-N 420.590 4.669 0 1 HJAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4cc(Cl)cc(Cl)c4)ccc3N(C)[C@@H]12 49089718 LTPPIVSXBQZJGD-QUCCMNQESA-N 406.313 4.973 0 1 HJAF O=C(O)c1ccccc1Oc1cccc(F)c1NS(=O)(=O)c1ccc(Cl)cc1 53243541 DCIFJRWUJPIGHB-UHFFFAOYSA-N 421.833 4.770 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccccc5)c5c4[C@@]3(C)CCC5=O)[C@@H]1CCC2=O 58504422 BXNNFPHCTNPRQD-JJBARKDQSA-N 402.538 4.733 0 1 HJAF COc1ccc(Nc2cc3c(cn2)nc(NCc2cccc(C)c2)n3C)cc1OC 82081785 DPQPFVVRUOOJAM-UHFFFAOYSA-N 403.486 4.650 0 1 HJAF CNc1cc(C)cc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)c1 96271659 DFPRUHMBCYYPQC-UHFFFAOYSA-N 405.464 4.588 0 1 HJAF CCOc1ccc(CCNC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1OCC 169305302 COQSRMKGWDAKJE-UHFFFAOYSA-N 417.505 4.688 0 1 HJAF O=S1(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]2[C@H]3CC[C@@H](C3)[C@]21N1CCCC1 169345588 RTQQRFWXLAKMMX-FZZWXMEGSA-N 405.563 4.822 0 1 HJAF Cc1ccc(N2CCc3ncnc(NCc4ccc(F)c(C(F)(F)F)c4)c3C2)nc1 202610944 BOUDDOZLENZDHH-UHFFFAOYSA-N 417.410 4.513 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@@H]4[C@H]3C2=O)cc1 263596923 GECBHJXRQAUPDJ-XQTRSNPVSA-N 400.478 4.737 0 1 HJAF O=C1c2ccccc2C(=O)N1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 299830332 MOMROXHPOLKJLH-UHFFFAOYSA-N 406.854 4.635 0 1 HJAF Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)cc(Br)cc3[nH]1)=C2 586907898 KOPFQFCGHOEMHV-UHFFFAOYSA-N 411.177 4.983 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)c(C)c2[nH]1 586935889 JOJGFQFRXTUKGE-GOSISDBHSA-N 417.600 4.569 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cn(Cc4ccc(F)cc4)nn3)nc3ccc(O)c1c23 586988558 LUXHWSQEKQWSPL-UHFFFAOYSA-N 422.419 4.598 0 1 HJAF Cc1cc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1C 587106380 ATFTYQZWWYKOBH-KRWDZBQOSA-N 423.460 4.724 0 1 HJAF C[C@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340912 ZNLHZSHRQCWRJQ-LADGPHEKSA-N 423.415 4.817 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357700 NXWMOJQXNQSXTO-ZCYQVOJMSA-N 420.436 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CNC(=O)OCc3ccccc3)cc1)O2 587387333 OXSQHVMNASVXTJ-QHCPKHFHSA-N 416.477 4.710 0 1 HJAF COc1cccc([C@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1 587412348 NMDPSPGRJFGWFZ-VWLOTQADSA-N 415.445 4.947 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(OC)cc1OC)CC2=O 587455571 CYIDOPJWGKLCRG-GOSISDBHSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(I)c1)CC2=O 587472052 PHJNVHWDOVSPRO-KRWDZBQOSA-N 408.235 4.656 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OCC)cc1)CC2=O 587480067 NCUHJOWHFCBIBK-XMMPIXPASA-N 412.482 4.557 0 1 HJAF COC(=O)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505042 SKCQRFYHNQIDFH-IBGZPJMESA-N 415.283 4.821 0 1 HJAF CC(C)(C)NC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514960 YTMVMTUNASLPLM-QFIPXVFZSA-N 407.510 4.565 0 1 HJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1 587579577 DVCVZNOSWIETCF-RCZVLFRGSA-N 412.445 4.804 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586010 AOFZDWNBJIJLTO-NTKDMRAZSA-N 421.449 4.727 0 1 HJAF COc1ccc([C@H](C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587596030 UEOYOFQKTJOTHY-XHCKBEORSA-N 406.434 4.543 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Br)c(-c3ccccc3)c2c1 587649264 OMOAKJQRUSZUNR-UHFFFAOYSA-N 400.244 4.683 0 1 HJAF O=C(CSCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662202 XFKHLHPZTUPKBM-UHFFFAOYSA-N 404.466 4.776 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N)N1 587681231 RIRVFJJWRCUELN-ZKANADHPSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1 587712518 LDNHQGBGSIENMY-XXFAHNHDSA-N 405.233 4.743 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnc2)N1 587757938 WGICVBVXBAHQHI-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587828272 OKLWFHFXZNESTA-RNODOKPDSA-N 406.295 4.539 0 1 HJAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587944515 AKRAREKZFJLDFT-UHFFFAOYSA-N 417.799 4.720 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 963073559 QZPYPEPOXIOFAE-IRXDYDNUSA-N 420.353 4.603 0 1 HJAF COc1ccc2c(c1)CC[C@@H](Cc1cc[n+](Cc3cccc(C)c3)cc1C(C)=O)C2=O 1857538314 GXBABYCGVYRTDT-QHCPKHFHSA-N 414.525 4.530 0 1 HJAF Brc1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 1857656835 INIHVBDAEZHVOD-UHFFFAOYSA-N 411.343 4.803 0 1 HJAF Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(C(=N)N)c2)c1 1490443 JSQZLEYFOOSZPU-UHFFFAOYSA-N 424.548 4.829 0 1 HJAF in-vitro CS(=O)(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2 26176656 WFSBONJXUAXVJH-FQEVSTJZSA-N 417.433 4.808 0 1 HJAF CN(C)C(=O)Oc1ccc2c(-c3ccccn3)c(Cc3ccccc3)c(=O)oc2c1 26491427 ORCVSLBCGZKORH-UHFFFAOYSA-N 400.434 4.506 0 1 HJAF CCOC(=O)CCCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 26827185 VUZLBLDVLYRZEH-UHFFFAOYSA-N 408.481 4.919 0 1 HJAF CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@@H](O)CC=C(C)C)OC1 27892923 NIYAENRGXVJXGA-UDJDVJOXSA-N 424.578 4.500 0 1 HJAF CN(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(N(C)C)cc2)cc1 28646448 VWTFXBWAHUOGGG-UHFFFAOYSA-N 412.666 4.995 0 1 HJAF Clc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28768724 PKVCETMNSYTMNH-RTBURBONSA-N 419.706 4.940 0 1 HJAF O=C(N/C=C/c1ccccc1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O 40584873 MNUNMFWGEVHZSR-IJDCCNJMSA-N 407.815 4.561 0 1 HJAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(CN5CCC(C(N)=O)CC5)cc4)c3)nc12 45193096 LLCPWUDCKKZYBL-UHFFFAOYSA-N 424.548 4.903 0 1 HJAF COc1cc2nc(N3CCC(C)CC3)nc(NCc3ccc(C)cc3)c2cc1OC 82130014 TWGBTGXHFCEOIX-UHFFFAOYSA-N 406.530 4.804 0 1 HJAF Cc1c(CC(=O)Nc2ccc(O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 95583539 XOAIDJMDAUEICT-UHFFFAOYSA-N 417.461 4.922 0 1 HJAF Cn1cc(-c2ccc(CN3C(=O)[C@@](F)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 95594707 WEYBRWSSNNKILJ-LJQANCHMSA-N 407.342 4.500 0 1 HJAF COC(=O)CCCCCCCO[C@H](Cn1cncn1)c1ccc(Cl)c(Cl)c1 98085598 JOGHNYZWQRSEFZ-GOSISDBHSA-N 414.333 4.856 0 1 HJAF Cc1c(-c2ccccc2)n(-c2ccccc2)c(O)c([S@](=O)c2ccccc2)c1=O 100507552 SSVQEEBAOLTVGE-LJAQVGFWSA-N 401.487 4.685 0 1 HJAF CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2ccc(OC(F)(F)F)cc2)n1 103261688 TVLKSGDRIZGJII-UHFFFAOYSA-N 414.391 4.773 0 1 HJAF NC(=O)c1sc2c(c1N)[C@@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 104046382 HRORRCBLIMMWJD-CYBMUJFWSA-N 407.882 4.632 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@H](O)c3ccccc3C)CC2)cc1 169326432 YJEZGYWKSYGGGS-RRPNLBNLSA-N 416.565 4.596 0 1 HJAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3nc[nH]c3c2)c(F)c1 224809528 RQWVWOSBVPYTTN-UHFFFAOYSA-N 424.501 4.508 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C 254045819 ZHUOOEGSSFNTNP-OLVQGNQNSA-N 406.607 4.566 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)C1 299881202 NOYJAGRMGDWNMM-MKXGPGLRSA-N 424.564 4.883 0 1 HJAF Cc1ccc(C)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 586962742 YUMLWADUSWXHNH-RLLQIKCJSA-N 409.555 4.874 0 1 HJAF COc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cn1 587161513 TWCXJHNRCSAXCE-UHFFFAOYSA-N 415.222 4.722 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 587376513 PLDWSZMFTAYJDB-PXNSSMCTSA-N 418.829 4.585 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587526356 QSUBCSARSXMVCM-OAQYLSRUSA-N 404.466 4.679 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Br)c1 587559650 YJYZNMJHSDOMMG-XLIONFOSSA-N 415.214 4.997 0 1 HJAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587581501 LOYJIEBJRKTDLG-WIOPSUGQSA-N 412.445 4.763 0 1 HJAF C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582861 OLEVSKKQLSANNE-ZWCUEREDSA-N 407.510 4.767 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596861 WUYXFDLEQUQTJD-HUVFLSCGSA-N 410.466 4.626 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccncc2)s1 587613440 OUWGJIRYRXCAOI-NQIIRXRSSA-N 402.431 4.614 0 1 HJAF CCOc1ccc(-c2nn(-c3ccc(C)cn3)c(=O)c3ccccc23)cc1OCC 587669477 NLRSXNNAMNUWEM-UHFFFAOYSA-N 401.466 4.554 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)nc2)N1 587678521 DAPUQKCVHIUKSN-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cncc2Br)N1 587734863 SCMTZJSXJZYEPU-NZFNHWASSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2CCc2ccncc2)N1 587752392 CSBXCXLMSKXUKW-QKKBWIMNSA-N 414.322 4.651 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587792049 OBRXNDMEJHFZEG-YPMLDQLKSA-N 417.278 4.700 0 1 HJAF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC 587802255 QRYBELLXGLSXOA-ODXCJYRJSA-N 408.311 4.928 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587805149 SGOOJHOLZNMSPA-CFMSYZGJSA-N 417.278 4.565 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2c1 587926291 WAMAVDLEZQDKMO-UHFFFAOYSA-N 415.287 4.509 0 1 HJAF COc1cc([C@H]2NCCc3ccc(F)c(C)c32)cc(OC)c1OC(=O)OC(C)(C)C 962141148 BLIPNBBKSLRWKH-HXUWFJFHSA-N 417.477 4.700 0 1 HJAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]12CCCCCCC21CC1 963136829 GUWHMVCQTAICEP-VFNWGFHPSA-N 406.548 4.719 0 1 HJAF COc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4)c3c2OC)cc1 1857593796 RSFXWADPGFIICP-UHFFFAOYSA-N 415.445 4.656 0 1 HJAF CCN(CCC/C=C1/OC(=O)c2cc(OC)c(OC)cc21)Cc1ccccc1OC 1911580014 XDZYPFKZFCLSPH-CIAFOILYSA-N 411.498 4.526 0 1 HJAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@]12OC(=O)C(C)=C2O)CCCC1=CCOC1=O 2356398732 AWERMEJPIQQCKA-NSJXUZATSA-N 412.526 4.952 0 1 HJAF O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1 12466674 FGZHVSCSWKMTMJ-INIZCTEOSA-N 416.321 4.534 0 3 HJAF c1ccc2nc(COc3ccc(COc4ccc(-c5nnn[nH]5)cc4)cc3)ccc2c1 3790839 KSLJQZMWPJNKKP-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF O=C(NCc1cccnc1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 6748799 OTESYHKPEGZRSE-UHFFFAOYSA-N 402.454 4.680 0 1 HJAF CN(C)c1ccccc1C[S@](=O)c1ncc(-c2ccccc2)n1Cc1ccccc1 13746243 YBRRWQDFKNZTRT-SSEXGKCCSA-N 415.562 4.972 0 1 HJAF Cc1nc(NC2CCCC2)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1 13794753 BETGKGGLSMONOG-UHFFFAOYSA-N 415.339 4.759 0 1 HJAF N[C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1c[nH]c2ccccc12 14962157 ZWPLUYQDKWPRGX-KRWDZBQOSA-N 417.900 4.708 0 1 HJAF Fc1cc2c(cc1OCCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2 26502395 SSGPGRIMOLOKLJ-UHFFFAOYSA-N 422.466 4.924 0 1 HJAF CN1CCN(c2nc(-c3ccc(Cl)cc3)cc(-c3c[nH]c4ccccc34)n2)CC1 28473343 GGVUJZYYWYEFFD-UHFFFAOYSA-N 403.917 4.697 0 1 HJAF CCN(CC)CCC[C@H](C)Nc1nc(C(=O)Nc2ccccc2)nc2ccccc12 28522304 PIHADFDCPYTOHF-SFHVURJKSA-N 405.546 4.805 0 1 HJAF CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 28523136 SCDAAZYFMZOQMT-JOCHJYFZSA-N 421.029 4.827 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 34801325 XQSKEOBPPYRPOT-ZNWKOOHGSA-N 414.634 4.887 0 1 HJAF CC1=C(CC/C(=C/C[C@H]2OC(=O)C=C2CO)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38726417 QJXKKRHELODLFT-CLIBVECOSA-N 402.575 4.862 0 1 HJAF O=S(=O)(c1ccccc1)c1cn([C@@H]2CCN(Cc3ccccc3)C2)c2ccccc12 49031429 CKFOUPRHOQCFFM-OAQYLSRUSA-N 416.546 4.921 0 1 HJAF Fc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)cc1 82185353 ZHNMVOVRHUNNEW-UHFFFAOYSA-N 424.483 4.882 0 1 HJAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1 82186671 ZAKWHHKSSIMWHR-UHFFFAOYSA-N 414.557 4.851 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 100772862 JCUWKPURUZEBFJ-USAPXKEJSA-N 412.526 4.789 0 1 HJAF endogenous,in-man Cc1cc(C)c(S(=O)(=O)N[C@@H](CSc2ccccc2)C(F)(F)F)c(C)c1 103253893 XZOCWBJVVFJEFU-INIZCTEOSA-N 403.491 4.613 0 1 HJAF CCc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294256 JHRVDAOISCRECJ-UHFFFAOYSA-N 413.880 4.659 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C=CCCCCC2)c1=O 114764293 KOAWAGCCRWSOLU-VNTMZGSJSA-N 421.541 4.542 0 1 HJAF CN(C)C12C[C@H](NCCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 169356920 LLSXDPCIBNMKAU-XXJLTHPGSA-N 417.641 4.722 0 1 HJAF CO[C@@H](/C=C/[C@@H]1CCC(=O)O1)CCCCCC=C(Br)Br 198355716 VKOGIGKSQGLZNY-RYYBZQDPSA-N 410.146 4.845 0 1 HJAF Cc1ccc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 586954143 BKWJSUBVILGOOT-UHFFFAOYSA-N 419.550 4.901 0 1 HJAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(F)(F)F 587091490 DSXDCQXRZTTWQK-MRXNPFEDSA-N 405.754 4.658 0 1 HJAF O=S(=O)(O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163840 LWSYYXIURRWOPQ-GDNBJRDFSA-N 400.456 4.599 0 1 HJAF Fc1ccc(I)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587182686 ODZFTJUDSYAHBT-UHFFFAOYSA-N 422.119 4.872 0 1 HJAF Cn1cc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2n1 587342289 MRIBIEICQFEARI-ISKFKSNPSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN(C(C)C)C(C)C)c1)[C@@H](C2)C3=O 587428564 KCXWLDZVRSYBDT-CPJSRVTESA-N 409.526 4.811 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Br)c1)CC2=O 587455611 DSJCQXSOEOAJBN-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OC(F)(F)F)c1 587554981 JZEPVKYNVSIHAC-XLIONFOSSA-N 418.323 4.699 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599335 WUQXWFHBAJMBAH-GERBCZOESA-N 410.466 4.626 0 1 HJAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610142 PFXYTYCITVWPIX-DHLKQENFSA-N 402.446 4.840 0 1 HJAF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)C(F)(F)F)cc1 587637354 HEYBVIZNIOHYMT-UHFFFAOYSA-N 413.298 4.922 0 1 HJAF Cc1ccc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)s1 587652152 XEFUSLQVFOCKTJ-UHFFFAOYSA-N 422.819 4.885 0 1 HJAF Cc1c(Cl)cccc1NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656229 CYIUCQDEOSJKIW-UHFFFAOYSA-N 421.859 4.917 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(F)cc2)N1 587735435 PTXNOZCBLSTAQK-YOKYIZADSA-N 407.302 4.580 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCN(C)C)c2)N1 587739196 GJUQTUVWINKUHZ-SPLOXXLWSA-N 421.354 4.542 0 1 HJAF Cc1cc(C)c2c(N)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)oc2n1 587747371 PZMKRPXYHJHYKP-YBTHPKLGSA-N 418.310 4.726 0 1 HJAF Cc1csc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12 587854196 CHGMPQDWEHCHEZ-FUXBKTLASA-N 414.731 4.883 0 1 HJAF O=C(c1ccc(O)cc1O)N1CCCc2cc(-c3ncccc3C(F)(F)F)ccc21 653682147 NPZRDYRAAKIHPY-UHFFFAOYSA-N 414.383 4.772 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cccc(-c4cccs4)n3)N12 962657589 CLUCTTUMCJHFFX-QPPBQGQZSA-N 415.518 4.546 0 1 HJAF COc1ccc([C@]2(C(C)(C)C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)c1 962706039 GWCUNDPHAOPXSQ-WIYYLYMNSA-N 409.423 4.770 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(-c2cccc(CO)n2)cc1 963288710 FIHGRDUHSGPLGZ-JOCHJYFZSA-N 409.327 4.581 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1c[nH]c2ccncc12 963904094 ONWDVURTQSHEAQ-OPAMFIHVSA-N 421.497 4.597 0 1 HJAF O=C(Nc1ncnc2ncn(Cc3ccccc3)c12)c1cccc(-c2ccccc2)c1 1857580292 WAQGJYBXXQBRLL-UHFFFAOYSA-N 405.461 4.794 0 1 HJAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccnc2)c1C(=O)c1cccc(Cl)c1 1857632773 QZTXYIAJIGGTEV-UHFFFAOYSA-N 401.853 4.774 0 1 HJAF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc1 767442 QYRCEHXHHYMMAP-GGAORHGYSA-N 420.534 4.598 0 1 HJAF Cn1cccc1C(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3955713 KQHDCPRCKVHGHC-MHZLTWQESA-N 413.565 4.743 0 1 HJAF CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N(C)C 4295598 MEENKTGBICEVBC-ROUUACIJSA-N 411.340 4.560 0 1 HJAF O[C@H](CCN1CCN(c2cccc3ncccc23)CC1)c1csc2ccccc12 13491131 KCVLVGLIYSFJBY-HSZRJFAPSA-N 403.551 4.695 0 1 HJAF CC(C)(C)OC(=O)N1[C@H](c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12 13737560 HZIXQRSEFIOLCL-ICSRJNTNSA-N 409.511 4.797 0 1 HJAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cccnc3)c1)CC2 13806117 SCIWSGYMXWZBPV-UHFFFAOYSA-N 414.387 4.766 0 1 HJAF Nc1cc(Cl)nc(SCc2cc(Br)cc(Br)c2)n1 27213964 KJNLNZAGIIYEGD-UHFFFAOYSA-N 409.534 4.530 0 1 HJAF COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](O)c1ccccc1)[C@@H]3N(C)CC2 31829669 YHUUHBJAFHIHMI-GVAUOCQISA-N 401.506 4.731 0 1 HJAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccc(C(F)(F)F)cc5n4)cc3)nc12 45257353 CBUDZRHMZVXEGY-UHFFFAOYSA-N 421.382 4.662 0 1 HJAF Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1C[C@@H]1SC(=O)NC1=O 45389214 ZAMASFSDWVSMSY-ZDUSSCGKSA-N 416.808 4.749 0 1 HJAF in-vitro CN(C)C12C[C@@H](NCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 64373280 BUPIVROIGNEUGH-RVMAVILXSA-N 403.614 4.680 0 1 HJAF COc1ccc(-c2ccc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)[nH]2)cc1 70459600 MIZBEBSCWUJGDU-UHFFFAOYSA-N 417.553 4.589 0 1 HJAF COc1ccc(C(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)cc1 71318739 FTPWDSDBQWTJAS-UHFFFAOYSA-N 422.916 4.522 0 1 HJAF Cn1cc(C2CN(CCF)C2)c2ccc(-n3ccc(-c4ccc(F)cc4)cc3=O)cc21 72116177 MOOWWSHIGGBBGB-UHFFFAOYSA-N 419.475 4.504 0 1 HJAF COc1ccc(CNCc2coc(-c3ccc(OC(F)(F)F)cc3)n2)c(OC)c1 72182749 RCVRWJYADDOXEU-UHFFFAOYSA-N 408.376 4.547 0 1 HJAF COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 96170656 YUGCCGGWVYADCQ-CRAIPNDOSA-N 411.464 4.665 0 1 HJAF CCCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccccc1C(F)(F)F 169714269 AEMZECXPGMETJX-FUHWJXTLSA-N 411.420 4.670 0 1 HJAF O=C(Nc1cccc2cccnc12)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)cc1 169727636 OGYSABKWWQZOIU-IRXDYDNUSA-N 409.445 4.830 0 1 HJAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2c(-c3ccccc3)noc2C)n1 203007974 GNZKEJZKCVRRIT-UHFFFAOYSA-N 401.474 4.705 0 1 HJAF Clc1cc(Cl)cc(CN[C@H]2CCCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 584905777 ALKJREGOUJGYEK-AWEZNQCLSA-N 410.736 4.677 0 1 HJAF in-vitro O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)C2 586885381 MQMHHEFPRHHLHZ-GUBZILKMSA-N 410.109 4.727 0 1 HJAF OCC12CCC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)(CC1)CC2 586895663 SCCGKBCMTDVVLR-UHFFFAOYSA-N 403.242 4.929 0 1 HJAF O=[S@](CCCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1 586958678 HDUFXTSEFUMLGJ-HSZRJFAPSA-N 415.715 4.858 0 1 HJAF COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1F 586966061 CJJODKJBEQORDV-UHFFFAOYSA-N 409.490 4.520 0 1 HJAF Cc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2n1 586967710 DITSDEIQRFUSIQ-UHFFFAOYSA-N 411.918 4.578 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cccc(N4CCOC4=O)c3)nc3ccc(O)c1c23 586987984 JVAGOQJQZLRZBI-UHFFFAOYSA-N 408.413 4.775 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1 587126157 WISQOEWDKZMKNN-KBUNVGBDSA-N 418.192 4.636 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229428 GNRDEYPXNQKZMO-UHFFFAOYSA-N 423.270 4.698 0 1 HJAF O=C(c1cc(F)c(Cl)cc1Cl)c1c(CO)oc2cc(Br)cnc12 587275647 CWHKNZDRHYRVDI-UHFFFAOYSA-N 419.033 4.760 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2ccc(Cl)cc21 587373009 OVKPQZTZBQFCGP-GOSISDBHSA-N 406.663 4.720 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Cl)cc3Cl)nn1)CC2=O 587459156 CKOLBMCKZPHKHQ-LJQANCHMSA-N 418.280 4.939 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2ccccc21 587485879 KLMDULYCZVDTOB-JYFHCDHNSA-N 414.457 4.908 0 1 HJAF Cc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 587589484 WZRCJTWXAMRQNP-URXFXBBRSA-N 410.429 4.861 0 1 HJAF C[C@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592652 IHKJRMLHIKWCJG-RCZVLFRGSA-N 401.462 4.869 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596863 WUYXFDLEQUQTJD-TUACAJSNSA-N 410.466 4.626 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccccc2)N1 587717484 FVMUDUYGHVICAK-WYRIXSBYSA-N 412.249 4.590 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O 587771403 SDTPYOXUKAUQTL-BIBXISHDSA-N 401.279 4.585 0 1 HJAF CC(=O)Oc1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587806900 BLRGSHUIDIHOPT-HXPMCKFVSA-N 406.295 4.754 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC(=O)N(C)C)cc2)N1 587847614 UWBQQVMCKZWHBT-VOJFVSQTSA-N 423.351 4.986 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3sccn23)N1 587853542 ACPAYMOPYSMUHV-KRTXAFLBSA-N 400.704 4.574 0 1 HJAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCCN(Cc3ccccc3)CC1)N(C)[C@H](C)C2 962639139 YEFQXPNOYLIMSO-KCPMXOJXSA-N 408.586 4.924 0 1 HJAF CCOC(=O)CC[C@]1(c2cccc(F)c2F)c2ccc(F)cc2C[C@H]2CCCN21 963101295 JTJLKTDVVRWFMC-UZUQRXQVSA-N 403.444 4.711 0 1 HJAF CC1=C(C)CN(c2nc3c(Cn4nc(C(=O)O)cc4C)cc(Cl)cc3s2)CC1 1772587962 GRCNTZCXEHSCRZ-UHFFFAOYSA-N 416.934 4.748 0 1 HJAF CC(C)(C)CC(=O)Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1 1772655799 IXGIAAHLWAQHFM-UHFFFAOYSA-N 413.606 4.722 0 1 HJAF C[C@H](CCC(=O)O)[C@@]1(C)CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857587046 YGRSXKKXQFSLKD-BXTORNGDSA-N 406.607 4.868 0 1 HJAF COc1ccc(-c2c(CO)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 1857615851 RATBMZIUKWQNSN-UHFFFAOYSA-N 423.472 4.525 0 1 HJAF COc1ccc(OC[C@@H]2c3ccc(OC)cc3CC(=O)N2CCCC(F)(F)F)cc1 1911580897 QBPOCYLWPVBMKO-HXUWFJFHSA-N 423.431 4.551 0 1 HJAF C[C@@H]([C@@H]1CCCCN1)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356832174 HZPYZHNFVJNOCS-CCRCTRNNSA-N 401.635 4.675 0 1 HJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@H]2C=CC=C[C@@H]21 4875024 KICYSZOYNLAVJI-LRQRDZAKSA-N 414.461 4.570 0 1 HJAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OC(C)(C)CC3)cc1 13780379 LXKQQGFVXIEZTH-UHFFFAOYSA-N 401.522 4.929 0 1 HJAF O=C(CCN1CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1Cl 13814695 SDNTYDDKSNOOMT-UHFFFAOYSA-N 411.354 4.805 0 1 HJAF COc1cc2ncnc(Nc3cc(OC)c(OC(C)(C)C)c(OC)c3)c2cc1OC 14945462 DYSXNBYYWWWYGN-UHFFFAOYSA-N 413.474 4.585 0 1 HJAF COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C(F)(F)F)c2)CC1 28114276 ROYDWQGAGORZHP-UHFFFAOYSA-N 415.459 4.827 0 1 HJAF COc1ccc(-n2cc3c(n2)c(NC(=O)NCc2ccccc2)nc2ccccc23)cc1 28710909 LVGXSVGMNOJRCF-UHFFFAOYSA-N 423.476 4.904 0 1 HJAF O=C(NCC1CC1)C1CCN([C@@H](c2ccccc2)c2nc3ccccc3s2)CC1 45168990 BKOIPIODTIVJMZ-QFIPXVFZSA-N 405.567 4.624 0 1 HJAF CNCCCCCCc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45190131 NOCMJQOHRYWNQA-YADARESESA-N 403.010 4.917 0 1 HJAF COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3CCC(C)CC3)n2)cc1 82066810 JFTAKHRFOWEDRR-UHFFFAOYSA-N 419.529 4.829 0 1 HJAF Cc1ccc(Oc2cncc(NCc3ccccc3)n2)c(-n2nc3ccccc3n2)c1 82068699 LSKVDHKRPAJRIS-UHFFFAOYSA-N 408.465 4.923 0 1 HJAF Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccc(-c3ccccc3)cc2)o1 82176721 PPICHONSLWSPMJ-UHFFFAOYSA-N 412.493 4.735 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1 82221739 XQDSRPYDDGHZDD-LJQANCHMSA-N 419.554 4.779 0 1 HJAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100075875 SWHQLBKIZOOTJD-NRFANRHFSA-N 404.510 4.616 0 1 HJAF O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100101820 CUDFIWVSHDJHIC-NUNAXRQHSA-N 405.448 4.604 0 1 HJAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@@H](CC)c3ccccc3)cc2)cc1 149285901 UXGKCQZWBHGMBU-DEOSSOPVSA-N 400.522 4.913 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-c2ncccn2)c1 167075900 XKUGHTYMIFCAQZ-FQEVSTJZSA-N 417.509 4.805 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2cc3ccccc3[nH]2)NC(=O)N1 206458738 ZQTBNICPJLZTCQ-NRFANRHFSA-N 411.490 4.948 0 1 HJAF COc1ccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c(OC)c1 299815697 OPAURFWSUNCBPO-GPUOULLFSA-N 403.526 4.651 0 1 HJAF COc1ccc(C(=O)n2c(-c3cn(C)c4ccccc34)nc3ccccc32)cc1OC 473101819 KSELYBWVYBLOAY-UHFFFAOYSA-N 411.461 4.901 0 1 HJAF O=C(NC[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl 473197825 GBLQZOHBPMHPDB-NSHDSACASA-N 401.791 4.602 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586888726 LVMIJFQBRUMCEY-KPZWWZAWSA-N 417.303 4.648 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2 587030279 CHZMEQILWAPOMN-AMAGOZFHSA-N 423.926 4.877 0 1 HJAF CC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341533 XYHCQVVRZRIXRQ-WMZHIEFXSA-N 415.461 4.564 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(OC(F)(F)F)c1)O2 587383823 WFDUPHBYDZFESR-AWEZNQCLSA-N 416.193 4.945 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCN3CCC[C@@H](C)C3)cc1)O2 587397315 ZSNXNXNYUZAOMM-OSPHWJPCSA-N 408.542 4.785 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)CC3CCCCC3)cc1)O2 587408441 GMCGCSIIQSRIDB-QFIPXVFZSA-N 413.539 4.638 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4cc(C)ccc4Sc4ccc(N)cc41)[C@@H](C2)C3=O 587450612 GRRMIPMKRYQHDM-MHECFPHRSA-N 401.487 4.742 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@H]1CCC 587480596 DIZCQTCPMVEGOM-IBVKSMDESA-N 419.521 4.915 0 1 HJAF C[C@]1(c2occc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537912 BTAZPMHHNXTYIG-BEFAXECRSA-N 401.212 4.625 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cc(F)cc(F)c1 587572604 SQXWTPXEVCXPDF-CVDCTZTESA-N 420.371 4.763 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C 587597223 UIDUINSZFDKJAX-URXFXBBRSA-N 406.434 4.891 0 1 HJAF O=C(NC12CC3CC(CC(C3)C1)C2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661555 ZWQDFJSYWGKKCL-UHFFFAOYSA-N 417.484 4.729 0 1 HJAF Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707004 RXQHFLWEFWEJPZ-APPDUMDISA-N 417.244 4.826 0 1 HJAF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587710036 QBTKRELOVUJLHV-MGPLVRAMSA-N 403.217 4.632 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COCC(F)(F)F)o2)N1 587711472 KRLRJZWADJIKIQ-ABKXIKBNSA-N 422.216 4.884 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2F)N1 587732472 MNRFJZIGPBDWJX-MLXNANBUSA-N 418.079 4.508 0 1 HJAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754188 DEAGSOXKPUJMLB-LAJNKCICSA-N 417.322 4.973 0 1 HJAF Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587827604 LCZZVHCWGPGOPH-SZNDQCEHSA-N 420.322 4.848 0 1 HJAF COc1cccc2c1OCC([C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 587834894 NFWXBIYXTLMXAG-QKVFXAPYSA-N 418.306 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nccs2)N1 587852189 DXQPPWJOZOBTFV-BUXKBTBVSA-N 403.320 4.871 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3sccn23)N1 587853579 AKMRQSCMLDUJPS-ZKANADHPSA-N 414.731 4.749 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncnc(Cl)c3s2)N1 587854063 BHJVXWCZTZNGNR-NXSYQRQQSA-N 412.715 4.870 0 1 HJAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(O)c2)cc1OC 587927540 QMJYOCFPFFCONY-UHFFFAOYSA-N 415.449 4.504 0 1 HJAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 587935298 HSSIQVSSUBQXTD-XMMPIXPASA-N 401.510 4.692 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]31C=C(c2ccccc2)Oc2cc(N)ccc21 963061780 XYABKNRBZXHLNS-HHHXNRCGSA-N 421.500 4.648 0 1 HJAF COc1cc2nccc([C@H](OC(=O)C3CC3)c3ccc4c(ccn4C)c3)c2cc1OC 1772620870 CZHYYXRZMCUWSW-XMMPIXPASA-N 416.477 4.786 0 1 HJAF CC[C@H](C)C(=O)Nc1ccc(CCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 1772623783 XIIUNNFJILKAEW-HNNXBMFYSA-N 406.482 4.657 0 1 HJAF O=C(N[C@H]1CCSC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772624490 MVIJCEJQGKRFDF-AWEZNQCLSA-N 419.428 4.676 0 1 HJAF Cc1ccc(COc2ccc3c(CSc4ncc(C)c(O)n4)cc(=O)oc3c2)cc1 1857761196 KQUWANPHWBYRJQ-UHFFFAOYSA-N 420.490 4.777 0 1 HJAF CC(C)(C)c1ccc(-c2cc(CCOc3ccc(F)c(C(N)=O)c3F)no2)cc1 1857765111 WYAIMCUFUPBUBB-UHFFFAOYSA-N 400.425 4.638 0 1 HJAF CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 2724124 VUKASVOVSFIARN-DEOSSOPVSA-N 400.478 4.578 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215198 GFBBCSZINJABQE-KEIZBESESA-N 418.578 4.622 0 1 HJAF O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 6733248 UBVVZACYWWPTID-UHFFFAOYSA-N 407.539 4.675 0 1 HJAF CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745673 KYPAHCVBAFBKAC-UHFFFAOYSA-N 412.873 4.991 0 1 HJAF C[C@H](NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)c1ccccc1 15959884 SMBBHPVLMHSHPM-CDSRXRBVSA-N 421.500 4.515 0 1 HJAF biogenic O=C1NCN(c2ccc(Cl)cc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 26396926 QFAPNJQECYOFGS-QFIPXVFZSA-N 417.940 4.519 0 1 HJAF OC[C@H]1O[C@@H](n2c(SCc3ccccc3)cc3cc(Cl)c(Cl)cc32)C[C@H]1O 26488436 IRLIZYCURHIONA-GUDVDZBRSA-N 424.349 4.881 0 1 HJAF Cc1cc(=O)c2ccc(OCCCN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2o1 26751707 QZKBVACWVBUZRT-UHFFFAOYSA-N 423.484 4.604 0 1 HJAF CC1(C)CCC[C@@H]2COc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3C[C@@H]21 33834132 NKZVXBLXJXFAAZ-ZBFHGGJFSA-N 422.477 4.954 0 1 HJAF biogenic CC(C)CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40862448 ZCETVIBKVGJQIQ-RPYQNYIYSA-N 420.634 4.958 0 1 HJAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F)N1CCCCC1 82159649 SNRXHQAYXGXZPV-UHFFFAOYSA-N 422.479 4.703 0 1 HJAF COc1cc2cc(S(=O)(=O)c3ccc(C)cc3)c3nc(C)sc3c2cc1OC 84713310 TXKSMZNGGDLKSF-UHFFFAOYSA-N 413.520 4.916 0 1 HJAF NC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 95575074 KHPBTVYLTUWXRY-CMDGGOBGSA-N 416.521 4.785 0 1 HJAF CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2F)CC1 96273157 LGPADHPVOUDZNG-UHFFFAOYSA-N 418.516 4.670 0 1 HJAF COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3cccnc3)s2)cc1 96927343 OGFOEXOGICQACP-UHFFFAOYSA-N 415.474 4.697 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3occ(C)c3c2)n1 141867894 ZSYZZFOGUDVGEH-OAHLLOKOSA-N 411.469 4.655 0 1 HJAF CC1=N[C@]2(C[C@H]([C@@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 166379587 MWVBEWBNSOHPSD-ODOSVJCGSA-N 409.917 4.569 0 1 HJAF CCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CC1=O 205767221 UUABHISVIQDPJS-INIZCTEOSA-N 404.432 4.876 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C4CC4)n[nH]c3C)c12 225374408 VMFXJMOASBHFCY-UHFFFAOYSA-N 414.469 4.967 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3nc(Br)ccc3Cl)nc12 587005295 ROHQGWIEYSJIEJ-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Fc1c(Br)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006557 GUYOPLNVLUSWJH-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1 587031927 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CWUXYWKLDAMJKH-OAHLLOKOSA-N 417.431 4.959 0 1 HJAF CN(C)[C@H](Cn1c(O)ccc1OCc1ccccc1)c1cccc(Br)c1 587941907 YBMUXRREJRFTCL-LJQANCHMSA-N 415.331 4.838 0 1 HJAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc3cccnc3c2)N1 963179599 MKOCCCFLTJXMGM-CRAIPNDOSA-N 406.791 4.595 0 1 HJAF CCC(C)(C)[C@@]1(c2cccc(OC)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237773 UJKSNYPMYSAEAW-DHLKQENFSA-N 404.510 4.522 0 1 HJAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cc3)c2)c2cnccc21 1772615031 PJKRRPIOVHBQDZ-UHFFFAOYSA-N 416.456 4.564 0 1 HJAF c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2cccnc2)nc1 12307579 WVNFNWLEDGDRRB-SANMLTNESA-N 405.505 4.896 0 3 HJAF O=C(c1ccco1)N(Cc1cccnc1)[C@H](c1ccccc1)c1nc2ccccc2[nH]1 72141112 XFLKCADJSHJLIY-HSZRJFAPSA-N 408.461 4.983 0 3 HJAF Cc1ccc(N(C)C)cc1Oc1nc(Oc2cccc(C(=N)N)c2)c(F)c(C)c1F 13474046 WYQAYIFHHPIPKG-UHFFFAOYSA-N 412.440 4.911 0 1 HJAF CCOC(=O)c1c(-c2ccccc2)nc(CCOC)c(C(=O)SCC)c1CC 13672358 UPNZQUUBROZDDZ-UHFFFAOYSA-N 401.528 4.570 0 1 HJAF O=S(=O)(c1ccc(Cl)cc1)n1ccc([C@@H](O)c2ccc(Cl)cc2Cl)c1 29569324 WBBNXNCRYUOLLB-QGZVFWFLSA-N 416.713 4.767 0 1 HJAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 36175957 LEBQJIIQZNRPHY-HSZRJFAPSA-N 415.493 4.864 0 1 HJAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2Cl)S1 45364668 ZHMRBYQBEFSWGD-LBPRGKRZSA-N 403.674 4.728 0 1 HJAF COc1cc(C(=O)c2c(N)sc(CCc3ccccc3)c2C)cc(OC)c1OC 71341014 AMSQDPHTVOTAAO-UHFFFAOYSA-N 411.523 4.681 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccccc3)ncnc21 82178434 AFJKBDCEVIKQCJ-LJQANCHMSA-N 418.570 4.651 0 1 HJAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 104695280 QCNUBGMFJXMLIC-QFIPXVFZSA-N 403.482 4.927 0 1 HJAF COc1ccc(-c2cc(C(=O)O)sc2-c2cc(OC)c(OC)c(OC)c2)cc1O 137967918 ZNDRCBRMXQGHPX-UHFFFAOYSA-N 416.451 4.520 0 1 HJAF CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2ccccn2)c1 142508126 MYJXUMMMKWLTDS-HSZRJFAPSA-N 422.504 4.892 0 1 HJAF CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(\C)CC/C=C(\C)[C@@H](O)C/C=C(\C)[C@H]1OC(C)=O 195231785 BEGZWCKKXIZDII-NVKRSLIKSA-N 404.547 4.816 0 1 HJAF O=C1c2nc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ccccc1 206196196 YSXIPTIFYUTDBA-UHFFFAOYSA-N 414.383 4.682 0 1 HJAF CO[C@@H](C)c1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1 221143215 ATZNBIQCGKPLQY-MPSKTULJSA-N 418.509 4.707 0 1 HJAF CC(C)(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1 224556211 VAISLOXNXSALHT-UHFFFAOYSA-N 408.481 4.594 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H]2CCCC[C@H]21 261084056 CFDRWKHPJHJISG-NJDAHSKKSA-N 402.332 4.534 0 1 HJAF in-vitro Cc1ncc(C2([C@@H](C)NC(=O)c3c(F)cccc3Cl)CCC(F)(F)CC2)cn1 473194376 AWXJRWFNWOWRDT-GFCCVEGCSA-N 411.855 4.843 0 1 HJAF O[C@H]1C[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc21 586904983 WYCZDDIOEBXGDQ-BONVTDFDSA-N 408.093 4.657 0 1 HJAF Cc1nc(COc2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)cs1 587020059 FDHLTUZGNFLHSE-UHFFFAOYSA-N 408.527 4.514 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)cnc3[nH]2)c1 587047869 BEEWQVBOYUJWIE-SREVYHEPSA-N 418.284 4.655 0 1 HJAF COc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1C 587092630 WBENGVGHFOHPJL-UHFFFAOYSA-N 405.298 4.902 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587114301 YPUBTASGMHRIJU-MRXNPFEDSA-N 417.218 4.683 0 1 HJAF CC(C)Oc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br 587118908 SLALJTMOOCCVTO-UHFFFAOYSA-N 417.229 4.571 0 1 HJAF CC(C)COc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587152067 YMYLJSKEWCDGCT-KRWDZBQOSA-N 410.262 4.687 0 1 HJAF CCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587485182 JJUNEVNDOFYAKK-OAQYLSRUSA-N 402.512 4.625 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cncc(C(=O)O)c3)cc1)CC2=O 587489405 LXXPMRAJPBNWFW-QFIPXVFZSA-N 403.434 4.811 0 1 HJAF CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2ccc(S(C)(=O)=O)cc12 587648623 CPPYSZJDKGAZMJ-UHFFFAOYSA-N 423.918 4.654 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587700173 LWTTZQJNEYPQSH-JEOXALJRSA-N 420.713 4.791 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1 587739516 AEHCLVPKYIEKOV-GTNSWQLSSA-N 420.326 4.591 0 1 HJAF CCC(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587745479 WGTZDLMKQOIAIG-YUNKPMOVSA-N 405.311 4.734 0 1 HJAF CCn1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587756365 KIABWSWCZSRJDY-MPBGBICISA-N 402.311 4.756 0 1 HJAF COc1cccc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 587779626 UXYHHZSEBKHNMI-PRWKNARSSA-N 401.279 4.769 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(C)(C)C)cccc12 587797862 XXNZDPKYBVXBLH-WIUDPPPLSA-N 417.322 4.616 0 1 HJAF Cc1csc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n12 587854188 CHGMPQDWEHCHEZ-CPFSXVBKSA-N 414.731 4.883 0 1 HJAF C/C(=C/[C@]1(c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587854191 QJCAXAUKQVLJRX-SQDHUCSMSA-N 409.368 4.893 0 1 HJAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)noc2C(=O)c2ccccc2)cc1 1857648395 FZDDUHDBNREJIR-UHFFFAOYSA-N 421.449 4.782 0 1 HJAF Cc1nc(C(=O)Nc2ccc(Cl)c(-c3nnc4c(Cl)cccn34)c2)cs1 1911581612 OCRVQXWMHUZSQV-UHFFFAOYSA-N 404.282 4.720 0 1 HJAF CC(=O)OC[C@]12C(C)=CCC[C@@H]1[C@](C)(C[C@H](OC(C)=O)c1ccoc1)[C@@H](C)C[C@@H]2O 2356569288 KSDOXWOAQAJWSO-YDOVHBDFSA-N 418.530 4.587 0 1 HJAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356586546 DVURAWKKNXOYHO-LJQANCHMSA-N 424.965 4.999 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H]1O[C@H]2[C@H](C)[C@@H]1C 2356640930 WNZPXAXGHBMGPR-NKPJCWRLSA-N 416.470 4.500 0 1 HJAF Cc1ccc(CNC(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 61904683 QPAZOVPHNBTWFY-HHHXNRCGSA-N 412.533 4.512 0 3 HJAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1 26269568 NURSXRYHWKCZOQ-SJORKVTESA-N 414.590 4.828 0 1 HJAF O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccc(Cl)cc1)N1CCOCC1 27495835 WMQJIBVENFOYCF-DEOSSOPVSA-N 420.940 4.619 0 1 HJAF CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 29408323 HCOYMMZAUGTHEB-UHFFFAOYSA-N 402.539 4.706 0 1 HJAF CCN(CC)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1 45301554 RFIVIFSSRWJAQD-UHFFFAOYSA-N 417.556 4.547 0 1 HJAF Cc1[nH]c(C)c(-c2ccc(OCCCc3ccccn3)cc2)c(=O)c1Br 45324860 KPXXYFISMAECDU-UHFFFAOYSA-N 413.315 4.828 0 1 HJAF Cc1ccc(F)cc1S(=O)(=O)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 45324989 IROSOESICNKRQI-UHFFFAOYSA-N 414.424 4.732 0 1 HJAF COc1cc(OC)c([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)cc1OC 66075385 UEGUOVFHBAIZJY-OAQYLSRUSA-N 404.466 4.563 0 1 HJAF CC(C)(C)C(=O)N1CCN([C@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1 72103579 SZSJCKUDTJMTHS-LJQANCHMSA-N 423.454 4.519 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2F)n1 82152901 TYTVVQSWSNTSEU-HNNXBMFYSA-N 410.468 4.605 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178213 JENXDERDCGRDLM-OAQYLSRUSA-N 412.541 4.590 0 1 HJAF Brc1cc(-c2nnc(Sc3ccccc3)o2)[nH]c1Br 95575353 YUVGEMMQYPFSJJ-UHFFFAOYSA-N 401.083 4.741 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1 95919489 MWBJDDYEYGDWCZ-QJLPVLJRSA-N 413.646 4.771 0 1 HJAF biogenic,in-vitro CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 101276792 XSIVUDDVVOILTG-DNQXCXABSA-N 405.586 4.555 0 1 HJAF CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 103294952 FBIRJRUUDIMELI-MRXNPFEDSA-N 410.688 4.913 0 1 HJAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(-c3cccnc3)cc2C)CC1 118640691 FAZYIPVDSLLNSX-MSEWRSJXSA-N 423.948 4.599 0 1 HJAF CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(F)cc1 139051480 VPIHARAGAUQAPK-GOSISDBHSA-N 400.475 4.783 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169301223 WTMPZTOIYURJBE-YUAPZMEHSA-N 402.623 4.867 0 1 HJAF COc1cccc(C[C@@H](c2cccc(OC)c2)N2CCN(C3CCCCC3)CC2)c1 169317921 ZHXOTFFUBVETQT-SANMLTNESA-N 408.586 4.938 0 1 HJAF Cc1cc(N[C@H](CC(C)C)C(=O)NC2CCCC2)nc(NCc2ccccc2C)n1 206779809 BTPPWRSXMXNZRQ-OAQYLSRUSA-N 409.578 4.591 0 1 HJAF Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226053057 HKIMRQWFGAKZQN-INIZCTEOSA-N 419.916 4.719 0 1 HJAF CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c([C@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23 256070131 IJVOVAHXZFALHZ-TTZITFOFSA-N 422.477 4.811 0 1 HJAF endogenous,in-man CC(=O)n1c2cccc(I)c2c2cc(-c3ccccc3)nnc21 299827067 OMDDBEGAJJQZQO-UHFFFAOYSA-N 413.218 4.516 0 1 HJAF C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(-c3cc(F)cc(Cl)c3)ccc1O2 299841283 YYSIZDVURBDWGB-JBACZVJFSA-N 418.921 4.733 0 1 HJAF CN(C)CCCNc1nc(N(C)C)nc2cc(-c3ccc(C(F)(F)F)cc3)sc12 473090498 WAMLYVDMYNUKQH-UHFFFAOYSA-N 423.508 4.807 0 1 HJAF Cc1nn(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1Br 586978995 NJZIHCRKHUSJDG-UHFFFAOYSA-N 412.129 4.566 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1Br 586979002 FCTVBATVWJLYEG-UHFFFAOYSA-N 409.593 4.786 0 1 HJAF Cc1nc2cccc3c2c(c1[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 587216077 SFWKQJVJRFXOJB-DNQXCXABSA-N 409.441 4.785 0 1 HJAF COc1cc2c3c(c1)O[C@](CCCNC(=O)OC(C)(C)C)(c1ccccc1)[C@@H](C2)C3=O 587427377 DMUKVWPMPWLNSU-UQBPGWFLSA-N 423.509 4.643 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N(C)C)CC2=O 587456573 RHUOCFDVVGUPEN-SFHVURJKSA-N 404.304 4.880 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Br)c1 587538833 GVSPICKTIIOEOE-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF COc1ccc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587552564 AMQUXNTZVMLTSD-WIYYLYMNSA-N 414.360 4.705 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2N1CCCCCC1 587597612 VVFGFBLGNDHTQU-SLSDLSHTSA-N 407.510 4.911 0 1 HJAF Cc1cccc(C)c1OCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587652142 LJQYYZOVFNJKHJ-UHFFFAOYSA-N 418.880 4.934 0 1 HJAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl 587691257 DOOOARZPVVKTNW-YYSFKGJASA-N 413.718 4.630 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711590 LENBDLNGFKHPMW-ZKANADHPSA-N 404.201 4.936 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(F)(F)F)(c2ccccc2)N1 587721897 RMGSVIKRTDAESJ-DIFFPNOSSA-N 418.228 4.902 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccn2)N1 587733216 LAQJMYRDVXKLRV-YEJXKQKISA-N 415.281 4.948 0 1 HJAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756464 LFWQHDSRLKBSFX-QKVFXAPYSA-N 417.322 4.973 0 1 HJAF CCc1ccc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837978 LWMRGGOTZKSOJN-PRWKNARSSA-N 416.290 4.881 0 1 HJAF CC(C)CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587843441 IFKCXQJIPKYDKC-PIGZYNQJSA-N 410.356 4.750 0 1 HJAF CCN(CC)c1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867419 DLQAENDAFSTCFQ-UHFFFAOYSA-N 418.419 4.507 0 1 HJAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(Cc3ccccc3)c2O)n1 587944461 GVEMJBCMIIGBSO-UHFFFAOYSA-N 423.469 4.700 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@@]23CCC[C@@H](C)C3)[nH]c2ccc(Cl)cc12 1911577329 XZBWAFAXNGHCTI-POEZALAKSA-N 405.951 4.645 0 1 HJAF CC1=C[C@H](CNCCN(C)C)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356302281 QNBPFBGPBLHOBB-DNVJHFABSA-N 410.606 4.593 0 1 HJAF CC=C(C)C(=O)O[C@@](C)(Cc1ccccc1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356322062 RLXPNRPEBROQKZ-RDGATRHJSA-N 404.462 4.607 0 1 HJAF CC(=CCS(=O)(=O)CCNC(=N)N)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@H]1C 2356719483 ZKAIIIOGWKNEAA-GGAORHGYSA-N 423.667 4.720 0 1 HJAF CC(C)C[C@@H](CSc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O 12474417 DSQFAZYFJURATO-QHCPKHFHSA-N 410.627 4.970 0 3 HJAF O=C1CN(C(=O)CCc2ccccc2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2724486 SHUGZWXGXRLZMN-DEOSSOPVSA-N 422.887 4.982 0 1 HJAF CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 3955106 RHVPNYWLAXRVBA-SJORKVTESA-N 408.571 4.766 0 1 HJAF COc1cccc(-c2ccc3ncnc(NCc4ccc(OC)cc4OC)c3c2)c1 4265103 CNOXMTLXQYVWRB-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF COc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 26386198 BCMCLJBSGAKTRO-UHFFFAOYSA-N 405.683 4.894 0 1 HJAF CN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 28899238 GSYASMWTMWAJJZ-KQWNVCNZSA-N 413.477 4.638 0 1 HJAF COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2OC)cc1OC 29489061 CZRCTZVTRRXGOT-UHFFFAOYSA-N 420.509 4.527 0 1 HJAF C[C@@H](NC[C@@H](O)C[P@](=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 33605730 JGGVBBYJRQOPPA-CZUORRHYSA-N 408.306 4.856 0 1 HJAF CCN(CC)C(=O)/C=C/[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 45284735 PGJBQLZXSGYLAU-WVZWWWABSA-N 414.634 4.891 0 1 HJAF Cc1cccc(Sc2ccc(-c3ccc(CCC(N)(CO)CO)cc3)c(F)c2)c1 49068911 GMNLZYLIFYTPIK-UHFFFAOYSA-N 411.542 4.567 0 1 HJAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141913 TXCJPBUEIIAJQA-UZLBHIALSA-N 422.504 4.839 0 1 HJAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 82196630 DZYHDVBPVZKVRX-LJQANCHMSA-N 406.578 4.651 0 1 HJAF CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 84690715 GSJNKCRTOMCTCE-UHFFFAOYSA-N 421.526 4.936 0 1 HJAF CC[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1 96167895 RDUZJAJYHSJVQI-UXPWSPDFSA-N 404.447 4.563 0 1 HJAF O=C(Nc1ccccc1Cl)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100106854 LQJPRLKBVXKFKM-NUNAXRQHSA-N 403.913 4.979 0 1 HJAF NC1(c2ccc(-c3nn4c(-c5cn[nH]c5)cnc4cc3-c3ccccc3)cc2)CCC1 114037769 UBMUEZJABLQHIA-UHFFFAOYSA-N 406.493 4.791 0 1 HJAF O=C(O)c1cnn(-c2nc(Cc3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F 115475482 LMAQVJSGTURVNE-UHFFFAOYSA-N 421.322 4.655 0 1 HJAF Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc(C(C)(C)O)ccc3Cl)nnc12 145749680 ZZHBBXDXHIJLPL-UHFFFAOYSA-N 421.810 4.548 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1 167322560 RRXDXVXPVJIGDF-LIRRHRJNSA-N 423.538 4.640 0 1 HJAF COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4[C@H](C)CCC[C@H]4[C@H]3C2=O)cc1 195478182 JQULSAYEPOTISD-FFZMJKDQSA-N 414.505 4.983 0 1 HJAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC[C@H](O)[C@@]1(C)CCC(=O)O1 200120073 YRNRZLZDGLUALE-GWGVGFAESA-N 416.514 4.543 0 1 HJAF COc1cc(-c2nccc3nc(-c4cc5ccccc5[nH]4)[nH]c23)cc(OC)c1OC 473168174 KULYPOHLCHOMJX-UHFFFAOYSA-N 400.438 4.799 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2c1 587074084 RCTUGLOCZASQGY-UHFFFAOYSA-N 416.710 4.902 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc(C)c3[nH]2)c1C 587165816 LAWONQOWSQUXKX-UHFFFAOYSA-N 406.461 4.602 0 1 HJAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 587243165 CCZDGFIJGPNMEN-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF CCc1nn(CC)c2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341103 IPUTZXCFRYVEAV-DHLKQENFSA-N 420.484 4.901 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)cc1F 587554620 JBCUGVCUILXBID-YLJYHZDGSA-N 402.324 4.836 0 1 HJAF C[C@H](c1ccccc1)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580692 CXLPLAYHELWDOE-MCCOCYNGSA-N 401.462 4.560 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596006 MRSWEPWNPCXAEU-ZJSXRUAMSA-N 410.466 4.626 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)c(F)c2)N1 587726764 ZOVBWIBKTJBOEK-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF Cc1cccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587753033 HCKVDYGOPIRDAX-RNODOKPDSA-N 400.295 4.706 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798979 QPRRXIURXLIEKD-LTBCBRHQSA-N 420.322 4.685 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1 587835894 RGIXNAYNYPASKM-HTGLOVNISA-N 406.295 4.771 0 1 HJAF O=S(=O)(Nc1cc(F)c(Oc2c(F)cc(F)cc2F)c(F)c1)c1ccccc1 1911584433 SDWJHDYZMHDFPH-UHFFFAOYSA-N 415.339 4.975 0 1 HJAF CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@H]21 2356441554 WTBDNHCIGRRPJK-YWIRWFRESA-N 402.531 4.811 0 1 HJAF COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 5071296 BAJQCJWDWFCNIW-JOCHJYFZSA-N 408.542 4.713 0 1 HJAF COc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3nc2O)cc1 8763123 PDDINQAZPVLIHR-UHFFFAOYSA-N 416.525 4.722 0 1 HJAF CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCC2CC2)nc(-c2ccncc2)n1 39960757 QSPFCQDIAKPJTJ-ZRBLBEILSA-N 419.617 4.620 0 1 HJAF biogenic CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2Cc2ccccc2)cc1 43069012 YOIIVBKCDGFPTQ-JOCHJYFZSA-N 409.532 4.537 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 70454877 NEMWYOKGHGSVSC-XIPLRHLMSA-N 415.662 4.563 0 1 HJAF biogenic,in-vitro C[C@H]1CCCC[C@H]1Oc1cc(Cc2ccccc2)[nH]c(=O)c1I 95587448 MYABXEXZTGUJKK-XJKSGUPXSA-N 423.294 4.528 0 1 HJAF CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1ccncc1 103947916 PKNMKZPUEKUFKP-TYYMKKSVSA-N 420.494 4.523 0 1 HJAF Cc1ccc(Nc2cnc(-c3cccc(C(=O)NC4CC4)c3)c(C)c2)c(C(=O)O)c1 113898482 NZDDUWSODQICAK-UHFFFAOYSA-N 401.466 4.699 0 1 HJAF Cc1nc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)cc(N(C)C)n1 118745903 ZMWNZVPHESZOJV-UHFFFAOYSA-N 414.300 4.840 0 1 HJAF CSc1sc(-c2nc3c(C)nc(C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919565 AYSSRCOIUMVWEQ-UHFFFAOYSA-N 415.993 4.861 0 1 HJAF O=S(=O)(/C=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1 586924048 FWANHILYZWRBSN-SREVYHEPSA-N 402.781 4.560 0 1 HJAF Fc1cnc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587007123 XVYDKHXLASIGKR-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Br)ccc2[nH]1 587076795 OTBAWXGZPAJRBF-UHFFFAOYSA-N 401.651 4.808 0 1 HJAF CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587103792 LLMCOBOPAZESLW-CYBMUJFWSA-N 407.416 4.750 0 1 HJAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587193483 BIQWRZXEWDSPKC-IBGZPJMESA-N 410.518 4.873 0 1 HJAF O=C(Cc1ccccc1)NCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587228442 MAAIWRVMVQJLHL-UHFFFAOYSA-N 415.337 4.502 0 1 HJAF CC(=O)Nc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335194 KSUHBQQXZHHCCA-ZCYQVOJMSA-N 417.436 4.690 0 1 HJAF CC1(C)Cc2sc(N)nc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375144 RESSJDWTYZNNKI-WZONZLPQSA-N 424.497 4.797 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C)c1OC(F)F)O2 587382955 PVWRCAQPQMFONM-HNNXBMFYSA-N 412.230 4.956 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)CC2=O 587473940 CWFPKJDMWNSRDR-AREMUKBSSA-N 423.553 4.625 0 1 HJAF C[C@H](Oc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587523812 PWTWMOTVUAEUQS-LMKMVOKYSA-N 408.494 4.774 0 1 HJAF CCCOc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609544 NIRVAGYCPTTZLJ-RDGATRHJSA-N 418.445 4.821 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O 587696421 UHQGJJTYDZRYOC-WNWIJWBNSA-N 400.675 4.579 0 1 HJAF CCO/C=C(/Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705699 NWZNIGAEPNPMHX-APDPFFOTSA-N 416.640 4.997 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2OC(F)(F)O3)N1 587723941 ZRIZFCWXKHLZHX-XYZCENFISA-N 414.221 4.707 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ncccn3)c2)N1 587775957 VGAAVOUWSWBMGL-HXPMCKFVSA-N 414.278 4.794 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)c1 587780801 IXIRSRJFUPRYPR-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF COc1ccc(C=O)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587787634 PKPZEFFDNPRECA-UHFFFAOYSA-N 403.276 4.848 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806683 IITNKRPXFPSADH-LAJNKCICSA-N 420.322 4.720 0 1 HJAF Cc1ncc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)nc1Br 587942228 UBPOCYNSAQDBAS-UHFFFAOYSA-N 402.292 4.888 0 1 HJAF Cc1nn(-c2ccccc2)c(O)c1C(=O)C[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963114449 SZUGEBJEMOOXQH-NBGIEHNGSA-N 419.500 4.534 0 1 HJAF Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccn2cc(-c3ccc(F)c(F)c3)nc2c1 1772632127 PJKVSILMEROGFX-UHFFFAOYSA-N 409.440 4.563 0 1 HJAF COc1cc2c(cc1OC)-c1nc3ccc(Cl)cc3c(NCCCN(C)C)c1C2 1857573112 GTEOVARHZQHJID-UHFFFAOYSA-N 411.933 4.840 0 1 HJAF CC1=C[C@H](CN2C(=O)C(C)=C(C)C2=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356286814 QXDAJNBWHMTVKT-ZCNNSNEGSA-N 405.542 4.665 0 1 HJAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccc4cccnc34)cs2)cc1 61897558 POYVUVBYSTVCMU-HSZRJFAPSA-N 403.507 4.767 0 3 HJAF O=C(Nc1nc2ncccn2c1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 203465958 WJTXGTNANOUXMH-UHFFFAOYSA-N 400.335 4.807 0 3 HJAF COc1cc(CNc2nc3ccccc3nc2-c2cccs2)cc(OC)c1OC 1645529 LUTDRROLXXLKNV-UHFFFAOYSA-N 407.495 4.996 0 1 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4081498 AMZYOCOERFRHIY-PZJWPPBQSA-N 412.848 4.523 0 1 HJAF CCCCOC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OCC)cc21 13473364 OEQAMLQTNPNUOX-NRFANRHFSA-N 412.438 4.560 0 1 HJAF N=C(N)c1ccc(Oc2nc(Oc3ccc(C(=N)N)cc3)c(Cl)cc2Cl)cc1 13781060 HRUCQVIIUGSDPQ-UHFFFAOYSA-N 416.268 4.541 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C)C(C)C 26388679 XQSKEOBPPYRPOT-AYBDSNSJSA-N 414.634 4.887 0 1 HJAF CCOC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)C[C@H](C)c2c1[nH]c1ccccc21 34167927 AAGAYUABSBAYSC-ZDUSSCGKSA-N 410.420 4.610 0 1 HJAF O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCCN(Cc2ccccc2)C1 34802333 VBMVFCIJGFHCCF-VWLOTQADSA-N 411.549 4.620 0 1 HJAF COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN(C)CCO 45302176 SASXDEKOQROPQP-UHFFFAOYSA-N 424.928 4.692 0 1 HJAF CN(Cc1cccc(F)c1)[C@H]1CCCN(c2cc(NC(=O)c3ccccc3)ccn2)C1 45324292 UQSPXWBZTRKINN-QHCPKHFHSA-N 418.516 4.574 0 1 HJAF Cc1cc(C(N)=O)nn1-c1cccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c1 58591720 KJKVVLUSAUZZBG-UHFFFAOYSA-N 413.321 4.984 0 1 HJAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)N2C1=O 66102127 VMUZDXCLODOOOJ-IEBWSBKVSA-N 414.292 4.773 0 1 HJAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1c1nc(/C=C/c2ccccc2)oc1-c1ccccc1 72142920 UGUVJLODBDAACL-GGVUTAOPSA-N 401.418 4.598 0 1 HJAF Cc1csc(N(C(=O)CSc2ccc(-c3ccccc3)nn2)C2CCCC2)n1 84669834 AKBWHAQEYOVDOB-UHFFFAOYSA-N 410.568 4.976 0 1 HJAF C[C@@H](O)c1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269553 UQFQVMODAAJALN-LJQANCHMSA-N 410.521 4.677 0 1 HJAF CC1=Nc2ncnn2[C@H](c2ccc(OC(F)F)cc2)/C1=C(\O)OC1CCCCC1 103531344 OBHQPTNKYNBUPL-GROYHEBESA-N 404.417 4.694 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586899523 ZYKXTUYMPWIORM-UHFFFAOYSA-N 421.522 4.633 0 1 HJAF Cc1cc(C)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 586955483 PIXFVOOTWDXGAW-UHFFFAOYSA-N 411.571 4.871 0 1 HJAF Oc1c(F)cc(F)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587133823 BSFSMONWQKBXRC-UHFFFAOYSA-N 409.108 4.875 0 1 HJAF Fc1cnc(Cl)c2[nH]c(-c3cc(Cl)cc(I)c3)nc12 587182294 HCUJPLPTKPRQQU-UHFFFAOYSA-N 408.001 4.675 0 1 HJAF CCCCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351922 VRTRXERZOUJSCN-OFNKIYASSA-N 400.446 4.772 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357814 OTLBMMRMVIOUNI-UPVQGACJSA-N 406.409 4.924 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(Cl)c1)CC2=O 587460408 GAQCXJKHLWPAJP-NSPYISDASA-N 404.846 4.557 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccc(Cl)cn3)c1C)CC2=O 587462691 QOYMQFORISWYFZ-JOCHJYFZSA-N 411.889 4.768 0 1 HJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 587572328 RZOHOEFWVKUSRY-URXFXBBRSA-N 416.408 4.728 0 1 HJAF Nc1ccc2c3c([nH]c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587762 HOJOZODXOJNRSI-SQJMNOBHSA-N 412.445 4.649 0 1 HJAF COCCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598061 SXLQLFHJORGPTB-QPPBQGQZSA-N 406.434 4.510 0 1 HJAF COc1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599795 HMPZXIOHYYDCQG-DHLKQENFSA-N 402.446 4.984 0 1 HJAF O=C(c1ccc(F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655807 RETFZDNEFZTRRZ-UHFFFAOYSA-N 414.770 4.823 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2OC(F)F)N1 587715558 HWCLEFKSJHXWAA-ZKANADHPSA-N 404.201 4.952 0 1 HJAF 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O=C(O)C[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(Cl)c3)cc21 114902157 NBUJRVWORRAMCY-SFHVURJKSA-N 405.281 4.715 0 1 HJAF Cc1cc(NC(=O)N2CCC(F)(c3ncccc3F)CC2)ccc1OC(F)(F)F 169710878 IMTKDXWNONWTNU-UHFFFAOYSA-N 415.362 4.920 0 1 HJAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 169723970 WJKWBWWNWDKSJT-DOTOQJQBSA-N 411.420 4.668 0 1 HJAF C[C@H](C(=O)Nc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1)c1ccccc1 210652714 QRBTUJUIFNHOIZ-IBGZPJMESA-N 421.585 4.556 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 586962100 UQMYLXRKJDAKAD-GBLZOACLSA-N 417.481 4.536 0 1 HJAF O=C(O)c1ncc(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986254 QEJKDVQHITUVBU-UHFFFAOYSA-N 402.793 4.565 0 1 HJAF Nc1ncc2c(n1)C[C@@H](c1ccco1)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105217 SUVGGQXJDVUMMH-INIZCTEOSA-N 416.440 4.766 0 1 HJAF OCCc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110769 KBAUSZDQFTUWMM-UHFFFAOYSA-N 402.338 4.921 0 1 HJAF 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BYNGGFFMJBPNRX-PNHOKKKMSA-N 411.949 4.559 0 1 HJAF CSc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 5835958 YCECCLNKJODIRD-QGZVFWFLSA-N 410.930 4.833 0 1 HJAF Cc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1 13673690 XLFYOIVELARSKP-UHFFFAOYSA-N 401.495 4.992 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(F)c3)CC[C@@H]12 26965278 POHRSBLYZIRFBO-IEFWHFDDSA-N 410.533 4.678 0 1 HJAF O=P(O)(O)[C@@H](c1cccc2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 27873320 SQUBZEPNBGXATC-OAQYLSRUSA-N 412.403 4.643 0 1 HJAF COc1cc(Nc2cncc(Oc3ccnc4ccccc34)n2)cc(OC)c1OC 40411020 ZYSUAIQBODJHIO-UHFFFAOYSA-N 404.426 4.587 0 1 HJAF CN(C)CCCNCc1ccc(-c2ccc(CNCCOc3ccccc3)cc2)cc1 45191891 OMIIMLICDICYOL-UHFFFAOYSA-N 417.597 4.564 0 1 HJAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1sccc1C 45385803 PNQTXAOQWQNZGK-HXUWFJFHSA-N 411.523 4.598 0 1 HJAF CCC[C@@H](C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1 45390836 VVLJTJUIMGZRJC-HXUWFJFHSA-N 408.586 4.912 0 1 HJAF 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CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3cc4sccc4[nH]3)c2)[nH]c1=N 473125942 YTDSSMMVFDCEBF-UHFFFAOYSA-N 423.498 4.541 0 1 HJAF C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C1 586916726 CJSRQSXHQMBHSF-SGTLLEGYSA-N 405.907 4.505 0 1 HJAF O=S(=O)(c1cc(-c2nc3ccccc3[nH]2)ccc1Cl)N1CCc2ccccc21 586956660 RFDSHYSVJNGUCJ-UHFFFAOYSA-N 409.898 4.635 0 1 HJAF CCCCOc1cc2nc(-c3nc(N)sc3CCC)[nH]c2cc1Br 587013584 RUADYTUMJUQNFQ-UHFFFAOYSA-N 409.353 5.163 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)cc3[nH]2)cs1 587019422 LYBVJGPFFFCFDK-UHFFFAOYSA-N 409.309 4.720 0 1 HJAF O=c1ccc(-c2nc3ccnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587051829 FSYJSBDZBSVOBW-UHFFFAOYSA-N 405.672 4.795 0 1 HJAF O=S(=O)(c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1)C(F)(F)F 587073054 DSSXJAACMDTDLW-UHFFFAOYSA-N 414.836 4.784 0 1 HJAF CN(C)CCOc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587149538 HYFKNCBQSNLITL-QHCPKHFHSA-N 423.463 4.950 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587258327 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4.633 0 1 HJAF COc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c12 587578551 RFJDMGFMMFBSGF-RDPSFJRHSA-N 401.418 4.595 0 1 HJAF Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587683756 XGHZTBWJJJZEBT-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC 587699255 RXOGPXHBBOOXHB-VVVCHXIZSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OC(F)(F)O3)N1 587722974 UYAFUYUGENVUDW-GLEZIHRCSA-N 400.194 4.533 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2OC(F)(F)O3)N1 587723126 VNFKWZSSUMRZOX-XLFHBGCDSA-N 414.221 4.707 0 1 HJAF Cc1ccccc1-n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587762932 HIPVLXMWUUGLCQ-LHSJRXKWSA-N 414.322 4.880 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812128 IHSNPXUPSWBUCZ-IBNJYYFUSA-N 404.323 4.786 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3cc(C(=O)O)ccc32)N1 587829040 VOICOTRYXQPBQY-LAJNKCICSA-N 418.306 4.791 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(OC(F)(F)F)cc1 587868814 TWZGRSVCXVRQEM-UHFFFAOYSA-N 417.309 4.919 0 1 HJAF O=C(O)CCc1ccc(-c2cccs2)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944978 CHJNHRSXWXJKTL-UHFFFAOYSA-N 407.470 4.743 0 1 HJAF C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1cc2ccccc2o1)[C@H]3Cc1ccccc1 618016945 XBEHNCIQEHDELM-ZLDUKWBASA-N 400.522 4.789 0 1 HJAF O=C(Nc1ccccc1)[C@H]1CSc2c(C3CC3)c(Cc3ccccc3)cc(=O)n21 653721466 IECDEULQHSEZCB-HXUWFJFHSA-N 402.519 4.602 0 1 HJAF COc1cc2c(cc1OC)[C@](C)(C[C@@](O)(c1ccccc1)C(F)(F)F)N(C)[C@H](C)C2 962576394 XCZWGXBLRBVQFU-KBJGYGKASA-N 423.475 4.636 0 1 HJAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(F)c1F 963189960 NKAVWZIYPSGIGN-BLLLJJGKSA-N 405.750 4.634 0 1 HJAF CC(C)(C)c1nn(Cc2ccccc2)cc1[C@@H]1NCC(C)(C)c2ccc3c(c21)OCO3 963391267 RNWKUAMPMLRVGG-QFIPXVFZSA-N 417.553 4.928 0 1 HJAF COC(=O)CC1CCC2(CC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963818125 QUVKDRQMJIHKOJ-UHFFFAOYSA-N 418.537 4.841 0 1 HJAF CCOC(=O)C[C@H]1CCC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963830510 BMAMTGJNHHPJDV-NIYFSFCBSA-N 418.537 4.841 0 1 HJAF O[C@@H]1CCN2CCc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3[C@@H]2C1 1857574410 DAIJRZYLKVFABD-NOZRDPDXSA-N 415.533 4.899 0 1 HJAF O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccc(Cl)cc1 1857592535 ZBRCBBGTHSUPMJ-UHFFFAOYSA-N 400.869 4.971 0 1 HJAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)cc3)ccc2N1C(C)=O 1857647893 NPWHUNXHOXKFRM-HSZRJFAPSA-N 413.521 4.604 0 1 HJAF COc1cc(OC)c2c3c(n(CCC(C)C)c2c1)-c1nc2ccccc2c(=O)n1CC3 1911580125 ILUBRRRJEAQPES-UHFFFAOYSA-N 417.509 4.638 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H]([C@H]2CC(=O)NC2=O)O[C@H]1O 2356531976 DHMXAXCAWHUFET-TZBSWOFLSA-N 415.574 4.882 0 1 HJAF COC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 2356820690 FNKYMGUMJBGLNY-YBMJMSBASA-N 418.618 4.877 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356856962 SFAOZGQLBGGDOT-GIYIDIMDSA-N 408.582 4.807 0 1 HJAF C[C@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 11816039 VQMWUPQPEHABRZ-NRFANRHFSA-N 406.570 4.645 0 3 HJAF Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc4cccc(F)c4n3)C2)o1 13636995 IQADCCCJQHMHTP-GOSISDBHSA-N 409.505 4.584 0 3 HJAF CC(C)=CCC/C(C)=C/COc1cccc(CNC(=O)N(O)C(C)(C)C(=O)O)c1 3821444 NOJVBPONEXVKGV-SFQUDFHCSA-N 404.507 4.522 0 1 HJAF in-vivo Cc1cccc(C)c1OC(=O)NS(=O)(=O)Oc1c(C(C)C)cccc1C(C)C 13747607 PJJPJMLZOBNZMK-UHFFFAOYSA-N 405.516 4.962 0 1 HJAF CN(C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)C1 28117516 AAPDSPGBQMKWII-QFIPXVFZSA-N 401.510 4.872 0 1 HJAF COC(=O)c1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1 28640268 HVDHZCXOCKDZMZ-UHFFFAOYSA-N 416.304 4.889 0 1 HJAF CN[C@H](c1c(Cl)cc(O)cc1Cl)[C@H](NC)c1c(Cl)cc(O)cc1Cl 28769465 UAYQMFONSIUOKJ-HZPDHXFCSA-N 410.128 4.933 0 1 HJAF CSc1ccc(/C=C2/C(C)=C(CC(=O)NCCN(C)C)c3cc(F)ccc32)cc1 43154264 CYQWBRMWTGBWJA-BKUYFWCQSA-N 410.558 4.943 0 1 HJAF in-vivo CSc1ccc([C@H](O)c2nnc(Nc3cccc(OC(F)(F)F)c3)s2)cc1 82081905 MYHZIHLTGWIVDI-AWEZNQCLSA-N 413.446 4.984 0 1 HJAF COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1 82165365 YXUCMJHJDYMAIH-UHFFFAOYSA-N 422.510 4.984 0 1 HJAF Fc1cccc(CNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)c1 82181421 UTSIZGUQDGYJCN-UHFFFAOYSA-N 424.483 4.882 0 1 HJAF CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 82199011 NOAAYYGMQJWHRR-FZRYCFGWSA-N 414.590 4.526 0 1 HJAF CCc1ccc(O)c([C@H](CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccc3c(c2)OCO3)c1 95593069 NIRMMTQJLKPRRA-ABSDTBQOSA-N 409.526 4.710 0 1 HJAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Nc4cccc(F)c4)C[C@@H]2N3)cc1 100107007 BCNADPSXDWAUJY-UBRQYEGLSA-N 401.485 4.773 0 1 HJAF Cn1c(SCC(=O)Nc2cccc3ccccc23)nc2c3ccccc3nc-2c1O 100705136 FEACDVDNEYHLLU-UHFFFAOYSA-N 414.490 4.663 0 1 HJAF Cc1cc(Cl)cnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1 113977250 IKCVBZAEUMBBHZ-UHFFFAOYSA-N 423.856 5.000 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1 167070866 CVXVRZJHVRQGII-DYESRHJHSA-N 402.494 4.876 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2cncs2)c1 167811454 MAHWHRGRZKEEJX-CRAIPNDOSA-N 408.523 4.937 0 1 HJAF O=C(NCc1c(Cl)cc(Cl)cc1Br)[C@H]1CCc2ncsc21 223964069 IEMLGYNUDZIXIM-QMMMGPOBSA-N 406.132 4.559 0 1 HJAF CO[P@](=O)(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 473083462 BSUSXSDHXRLHKS-GDLZYMKVSA-N 404.450 4.539 0 1 HJAF O[C@H]1C[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21 586903492 PQPQPBAXQKRXRG-GWCFXTLKSA-N 408.093 4.657 0 1 HJAF CSc1sc(-c2nc3c(C)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919584 BXSBLZBEQFWWGN-UHFFFAOYSA-N 401.966 4.552 0 1 HJAF CSc1sc(-c2nc3c(C)nccc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919621 COMNURNHACDZGJ-UHFFFAOYSA-N 401.966 4.552 0 1 HJAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2cc1C 586947586 UQNHOTUJSICJCC-UHFFFAOYSA-N 421.522 4.965 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 586962718 YQTVLQQQIWHJIQ-VHSSKADRSA-N 417.481 4.536 0 1 HJAF CCOc1cc(/C=C/c2nc3c(Cl)ccnc3[nH]2)cc(Br)c1OC 586976985 DHEMZSBMXBCPAL-SNAWJCMRSA-N 408.683 4.952 0 1 HJAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2n1 587001680 VBZURGMSRNICOF-AWEZNQCLSA-N 412.335 4.742 0 1 HJAF COc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031886 QDRARUVFADNYMV-CBQSTYFFSA-N 418.519 4.838 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(F)cc2[nH]1 587065448 QUZUYPOKTAQJEK-UHFFFAOYSA-N 413.630 4.518 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Cl)ncnc4[nH]3)c(Cl)cc12 587078070 GQSPNZYVWDEWNU-VIFPVBQESA-N 419.268 4.859 0 1 HJAF Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1C 587141050 VSCODTCUFFXXLT-UHFFFAOYSA-N 413.449 4.926 0 1 HJAF O=S(=O)(Nc1ccsc1-c1nc2ccc3ncccc3c2[nH]1)c1ccc(F)cc1 587169953 GEIXRDGZBIKCKE-UHFFFAOYSA-N 424.482 4.780 0 1 HJAF COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587207227 DFZBOBHYGRPCDW-QHCPKHFHSA-N 422.322 4.696 0 1 HJAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421582 UQTKOCPRYUKCCX-PNCHPQGNSA-N 414.885 4.581 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1nc4ccc(C)cc4s1)[C@@H](C2)C3=O 587452439 NBQBELPTQODKCZ-OYHNWAKOSA-N 402.475 4.893 0 1 HJAF Cc1sc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)nc1-c1ccccc1 587534650 DNIPNRMOYRUFGB-XMMPIXPASA-N 404.535 4.817 0 1 HJAF CN(C)/C=C(/c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550273 WIFAUVJFWTUITR-SZORDPIYSA-N 421.880 4.979 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccnc1Cl 587552763 SJCJGHOMYCAVFP-UGKGYDQZSA-N 418.836 4.934 0 1 HJAF CCc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579478 NUMTXEIBLBDTKA-RDGATRHJSA-N 417.461 4.704 0 1 HJAF Cc1ccc([C@]2(c3occc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579776 PQVSZAVHXFPNBS-BWKNWUBXSA-N 413.429 4.781 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(C(F)(F)F)cs2)N1 587712243 KCDOYGMIQAMQSP-NXSYQRQQSA-N 409.246 4.861 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587738524 AYPDVCVCLCROFJ-ZSOHYYRISA-N 419.338 4.775 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(-c3ccccc3)n2)N1 587755712 QDFOLXIEAWYLRT-BUXKBTBVSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1 587759203 ZNNZKKWDGJQGTP-PIGZYNQJSA-N 409.299 4.797 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCCC3=O)c2)N1 587766471 NJSQLJCDIXKBEW-ASSNKEHSSA-N 417.322 4.513 0 1 HJAF COC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587803698 BMHJEZYBDXRGCY-SJKOYZFVSA-N 406.295 4.583 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cccs2)N1 587849550 AUCKNQZWZISUQM-XTZNXHDOSA-N 406.324 4.674 0 1 HJAF COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@](C)(F)CC3(F)F)c2)cc1 1772583608 WRQARLNDTRWDLT-WOJBJXKFSA-N 423.410 4.636 0 1 HJAF CC(C)[C@H](O)[C@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2356792876 GXEGLKFHCXONNK-CAWUVBINSA-N 402.619 4.957 0 1 HJAF C[C@@H](C(=O)NCC1CC1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 6202030 AABYLPRACHMDSN-PVLDIMPDSA-N 420.553 4.843 0 3 HJAF CC(C)=CCc1cc([C@H]2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)c(O)cc1O 1849810 BAKSOIVZFARRJC-QGZVFWFLSA-N 422.477 4.855 0 1 HJAF endogenous,in-man CC(=O)Nc1ccc(-c2nc3ccc(-c4nc5ccc(NC(C)=O)cc5[nH]4)cc3[nH]2)cc1 3832625 WNWXYUFTOHPDIE-UHFFFAOYSA-N 424.464 4.690 0 1 HJAF COc1ccc(C2=NN(CCCOc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474098 TVGJNNOUNWXDCO-LEWJYISDSA-N 422.525 4.526 0 1 HJAF C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 13686455 MYZMHMMNFUUEMD-MWTRTKDXSA-N 424.928 4.829 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(F)cc3)CC[C@@H]12 26941863 QRXQUYSQEGNIRQ-IEFWHFDDSA-N 410.533 4.678 0 1 HJAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1SCc1ccncc1 34104919 YZTXSVUDQXOMFR-UHFFFAOYSA-N 405.401 4.920 0 1 HJAF Cc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 40937109 ZLIQXEYHDFBTTB-UHFFFAOYSA-N 414.309 4.866 0 1 HJAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1 82142021 HYZGVVTYTZQKPC-CYBMUJFWSA-N 418.419 4.896 0 1 HJAF COC(=O)c1cccc(-c2ccc(NC(=O)c3ccc4cc(C(N)=O)ccc4c3)cc2)c1 82149214 JSHLGVDTUBOIPH-UHFFFAOYSA-N 424.456 4.645 0 1 HJAF c1ccc(CCn2c(-c3cccs3)nc3c(NCc4cccs4)ncnc32)nc1 82190531 ISEJPNCAVGMZBY-UHFFFAOYSA-N 418.551 4.866 0 1 HJAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4cccc(F)c4)cc23)c1 84653893 WXAGYZOBOISWRD-UHFFFAOYSA-N 403.457 4.579 0 1 HJAF Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCC[C@@H]1c1cccnc1 95589475 OLDJOUOYWYORKE-LJQANCHMSA-N 410.905 4.937 0 1 HJAF CN(CCCc1ccccc1)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166886844 LCIKUUBKTYIKRT-UHFFFAOYSA-N 413.521 4.939 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167386164 ZEBODEPVZIPGLD-UWJYYQICSA-N 402.494 4.876 0 1 HJAF COC(=O)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 586998564 MUESBLPFGBCCLL-VQHVLOKHSA-N 424.254 4.937 0 1 HJAF Clc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005883 XXGJGBIHFBDUMA-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF CCCCOc1cc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2cc1Br 587065661 WMIKDLALLRBUFE-UHFFFAOYSA-N 413.703 4.947 0 1 HJAF COC(=O)c1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1OC 587083482 WNDWEOYKVHMTEF-UHFFFAOYSA-N 402.237 4.880 0 1 HJAF COc1ccc(-c2nc3cccc(I)c3[nH]2)c(C(F)(F)F)c1 587097809 NWKIRINEIGSJRJ-UHFFFAOYSA-N 418.156 4.862 0 1 HJAF O=C1C[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150208 QOXSQOMWTZYRLP-JTQLQIEISA-N 413.321 4.515 0 1 HJAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421194 UCTIMLWMJDKFDY-ILXQMQRGSA-N 404.293 4.720 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576560 JJZKERTXXGNNBJ-NYDSKATKSA-N 421.449 4.568 0 1 HJAF CC1CCC(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 587583127 QLUAPBHVQDLDAV-RWWKDMOOSA-N 407.510 4.767 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H]1CCOC1)c1ccccc1 587616434 JYGMLQULXYUISU-WVBBGBOVSA-N 402.446 4.676 0 1 HJAF CC(C)(C)OC(=O)N1CCC[C@H]1c1c(C2CC2)[nH]c2ccc(S(C)(=O)=O)cc12 587651329 QODIMHIUGJPTGD-KRWDZBQOSA-N 404.532 4.521 0 1 HJAF CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587701420 BTYNMCNGOYPFRK-FQLBJLCGSA-N 416.640 4.997 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCCC2)N1 587717633 GJXWVBXEPHABJR-MPBGBICISA-N 407.302 4.951 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2OC(F)(F)F)N1 587724138 ZXVVBFDEDCKYBF-BCTVWOGZSA-N 420.200 4.816 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1 587727062 AAHNNNFZWAOSEZ-HTGLOVNISA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnc2)N1 587757943 WGICVBVXBAHQHI-ZUOKHONESA-N 400.295 4.572 0 1 HJAF COc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1O 587787811 YSCDEAWDUABBNW-UHFFFAOYSA-N 403.154 4.605 0 1 HJAF CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800167 VKQNOMOTXVWLAF-BLVKFPJESA-N 400.332 4.707 0 1 HJAF COc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587808881 RBRUPKPJEYUIMY-ZMZPIMSZSA-N 424.310 4.546 0 1 HJAF COc1ccc([C@H](C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811385 ZUTPUGWRLXSWPD-PVUDRZGPSA-N 408.311 4.984 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830752 FPFQZYCOGBTBMT-QKVFXAPYSA-N 420.322 4.936 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC[C@H]3CCCO3)c2)N1 587834362 QXJVUUGISPXPMQ-QKAVXHIFSA-N 420.322 4.770 0 1 HJAF CN(C)[C@@H](Cn1c(O)ccc1OCc1ccccc1)c1cccc(Br)c1 587941905 YBMUXRREJRFTCL-IBGZPJMESA-N 415.331 4.838 0 1 HJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587952414 QKTGVRTWFUPCOP-GUXCAODWSA-N 407.580 4.640 0 1 HJAF COC[C@]1(c2cccc(Cl)c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962634424 HOXJCJKAGLDBRI-RSXGOPAZSA-N 418.968 4.977 0 1 HJAF Cc1cccc([C@]2(c3ccc(C(F)(F)F)cc3)c3ccsc3CCN2C(N)=O)n1 962717162 SYKOZDBHIPUJQX-FQEVSTJZSA-N 417.456 4.699 0 1 HJAF Fc1ccc2c(c1)OCCC[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958330 OCJWQGJCHQVIPW-JOCHJYFZSA-N 421.434 4.912 0 1 HJAF COc1ccccc1-c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963220822 FOKGLVCGKMCSEO-ZCYQVOJMSA-N 410.473 4.599 0 1 HJAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1C3 2356472593 CFWQLQINZAVWGP-ACYVLSPASA-N 412.526 4.609 0 1 HJAF CC(C)=CCCC(C)=CCC[C@]1(C)O[C@@H]2c3ccc(O)cc3OC(=O)[C@@H]2C[C@H]1O 2356859961 UACDPQZEUCVSKT-YJRNTSOCSA-N 400.515 4.981 0 1 HJAF CN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCC[C@@H]1N1CCCC1 3795711 YMMCZDDFGLZQRH-IRXDYDNUSA-N 419.780 4.891 0 1 HJAF Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C(=O)NC2CCCCCC2)C1 5056534 OSEAVZIAZPBGHV-QGZVFWFLSA-N 401.576 4.763 0 1 HJAF CC(=O)OCC(COC(C)=O)=C1C=C[C@]2(C)C/C=C(/C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 15159578 GIWRFROSNZDMIG-MDSVNQTLSA-N 402.531 4.669 0 1 HJAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25429882 RDRJLKGDXUDKNO-UTKZUKDTSA-N 410.473 4.521 0 1 HJAF biogenic CCOC(=O)CC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26732853 APCIPSXSLOKDLJ-VWLOTQADSA-N 400.478 4.584 0 1 HJAF CO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccc(F)cc3)cc2)cc1)C(=O)O 28569087 AEBKMFXSZKRQPW-DEOSSOPVSA-N 424.468 4.983 0 1 HJAF O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)C[C@H]1CCCO1 40936124 BEWWKHUWENFXDW-GOSISDBHSA-N 404.432 4.799 0 1 HJAF O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 66097486 XQHWXPFYNFKZKG-UHFFFAOYSA-N 416.452 4.741 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3ccccc3)ncnc21 82178535 MIWKNOMDFGCXIG-GOSISDBHSA-N 418.570 4.651 0 1 HJAF O=C1N[C@@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@H]2O1 114351818 BXKXPJPYACCXTA-DHIUTWEWSA-N 418.924 4.666 0 1 HJAF CCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2ccccc2)c1 169328917 AUHGYKJMPIHTCI-UHFFFAOYSA-N 402.450 4.879 0 1 HJAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 169692761 VYXYBKWIYQGIEA-KJALVVJNSA-N 417.505 4.944 0 1 HJAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCCCCC1 169720802 XKTHQCXRSXSLFT-OALUTQOASA-N 405.329 4.904 0 1 HJAF CC(C)C[C@@H](N)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299823507 DUCSQMQJPSZEAW-JOCHJYFZSA-N 423.988 4.631 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)cc(F)c3[nH]1)N2 587032493 UAYDDOZRCMFBTR-FVNYMESBSA-N 406.483 4.968 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5cc(Cl)cn5)[nH]c4c3)o2)cc1 587082593 SUTHMTUTJQYLFB-LBPRGKRZSA-N 420.860 4.748 0 1 HJAF COc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 587130603 NAMHHIWILSVMKI-UHFFFAOYSA-N 421.407 4.789 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238392 DAFZXHNCKFWHRG-FFUDGTDTSA-N 405.926 4.771 0 1 HJAF COc1ccccc1Nc1ccccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587241202 XKKOWHPRPPRZGC-UHFFFAOYSA-N 413.525 4.734 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F 587427235 RAMNGRNYJAOLDT-DVECYGJZSA-N 418.420 4.777 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc4c(-c5ccccc5)nn(C)c4s1)[C@@H](C2)C3=O 587450648 GXLWGEBQYRZSQO-KSFYIVLOSA-N 402.475 4.799 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccc(C(F)(F)F)c1)CC2=O 587464608 UNPTWVFFOSKGRI-NRFANRHFSA-N 422.399 4.787 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)CC1(F)F)CC2=O 587467287 SBAUZCHSOLNSHM-JOCHJYFZSA-N 401.453 4.590 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(O)cc21 587482955 PKOQOGDSRQSIEB-VWLOTQADSA-N 400.430 4.504 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)cc1Cl 587541540 FLYVWVBIEGJKJA-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF O=C(c1ccc(COc2ccccc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O 587652253 ZMKHTXWDPQFUAM-UHFFFAOYSA-N 415.232 4.564 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1 587710803 FHKRMBOUCFNCOV-PWJLMRLQSA-N 419.216 4.505 0 1 HJAF COC(OC)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587731339 ZBARNIWQZRXBBN-MGNBDDOMSA-N 412.274 4.642 0 1 HJAF Cc1nccn1-c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587759169 ZGFHXRWVNCXXKT-YEJXKQKISA-N 414.322 4.880 0 1 HJAF Cc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774660 NJHYWDQIDAIMOU-ZUOKHONESA-N 412.306 4.977 0 1 HJAF CCOc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834581 LKLCWOZNDOWLAB-MPBGBICISA-N 406.295 4.547 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)c(C)c1 587862700 WHORVSNYAIXZFC-UHFFFAOYSA-N 404.388 4.914 0 1 HJAF CCCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 653791339 LSWFZOHMOACHFR-UHFFFAOYSA-N 416.525 4.779 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1cc(N3CCC[C@H](C)C3)ccc1N)N(C)[C@@H](C)C2 962571081 OPHJJLAHPWFHDD-XWXLMPLOSA-N 423.601 4.662 0 1 HJAF C[C@]12CC(=O)C[C@@]1(C)C[C@]1(C2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962960578 SNUNYDBAOSKMHW-XVAYZXCPSA-N 407.476 4.721 0 1 HJAF COc1cc(-c2ccc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cc2)ccc1F 963029054 MUQLZCFJJUDEDE-CJAUYULYSA-N 402.469 4.644 0 1 HJAF CC1=CC[C@@H](O)C(C)(C)[C@@H]1Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 1857573537 TVIWYEOVRUMFAV-WTIAFYNJSA-N 408.494 4.700 0 1 HJAF CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@H]2O)ccc1O 2356524500 GUBSLKKUDZBDAZ-JWQCQUIFSA-N 424.493 4.716 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(O)[C@@H](C=CC4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12 2356686385 CNXOWEJEIZUYTD-XTCBLOAJSA-N 402.575 4.754 0 1 HJAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@H](C(C)=O)C(=O)OCC)O1 7992321 DKKHEPSSWBSDPM-FCHUYYIVSA-N 404.503 4.855 0 1 HJAF Cc1cccc(-c2nc(SC[C@H]3C[C@@](C)(O)CC(=O)O3)[nH]c2-c2cccc(C)c2)c1 13730495 LDYIMNWESYEUBM-NTKDMRAZSA-N 422.550 4.909 0 1 HJAF Cc1cccc(-c2nc(-c3cccs3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1 14958494 VOVNKKJXIDOHLE-UHFFFAOYSA-N 400.507 4.971 0 1 HJAF COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)Oc1cc(C)cc(C=O)c1O2 27079321 HJDPEVGPDIRXSL-SFHVURJKSA-N 412.438 4.791 0 1 HJAF O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccccc4)c(F)c3)nc2c1 28523520 SUSKICAHUPULPO-YRNVUSSQSA-N 416.408 4.913 0 1 HJAF C[C@H]1[C@@H]2Cc3ccc(C(=O)NCCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 35034175 IHOHDDSSITWKEW-GHKAFPQUSA-N 416.609 4.983 0 1 HJAF O=[N+]([O-])c1ccc2nc(-c3cccc(-c4nc5ccc([N+](=O)[O-])cc5[nH]4)c3)[nH]c2c1 36464498 RYAQGPPVZZXSOJ-UHFFFAOYSA-N 400.354 4.590 0 1 HJAF N[C@H](COc1cc(/C=C\c2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 37867106 AQDWLHMFJHACCX-VOFKWLDRSA-N 404.901 4.731 0 1 HJAF CC1=C(CCC2=CC[C@H](O)C3=CC(=O)O[C@@H]3O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38798202 IOVKTBXSZVGHQM-XUXTUYOYSA-N 416.558 4.545 0 1 HJAF biogenic COc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC 40939284 IZPBCBBLTMSWLG-UHFFFAOYSA-N 404.426 4.587 0 1 HJAF COc1cc(C(F)(F)F)cc2[nH]c(CNCCCNc3nc4ccccc4[nH]3)cc12 45202237 JUJAGXOFJIDQBB-UHFFFAOYSA-N 417.435 4.663 0 1 HJAF c1ccc2c(c1)OC[C@H](c1nc3ccc(-c4ccncc4)cc3n1C1CCOCC1)O2 49090022 OXPWRBSZPVHCNE-XMMPIXPASA-N 413.477 4.962 0 1 HJAF O=C(Nc1ccccc1)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72185562 RTKLKJFACGWOBY-JOCHJYFZSA-N 424.907 4.813 0 1 HJAF O=C(O)CSc1nnc(-c2ccccc2Br)n1-c1cccc(Cl)c1 96273178 OHJKHZREQQAVIW-UHFFFAOYSA-N 424.707 4.527 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104008130 NCWYBWLPYASBKA-UTKZUKDTSA-N 411.498 4.559 0 1 HJAF Cc1c(-c2ccc(OCCCC(F)(F)F)nc2)c2cc(F)ccc2n1CC(=O)O 169311300 NYAKGTZHXXIUBN-UHFFFAOYSA-N 410.367 4.957 0 1 HJAF COc1ccc2cc1CN(C)CC=CCCOc1cccc(c1)-c1ccnc(n1)N2 254127822 BTJHWCJCRJUEGO-UHFFFAOYSA-N 402.498 4.666 0 1 HJAF CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)nccc21 299859263 FRGACHKMANBBJE-UHFFFAOYSA-N 410.374 4.860 0 1 HJAF CCCOc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br 587177621 QUCREGVNZILFGZ-UHFFFAOYSA-N 419.298 4.916 0 1 HJAF O=C(Cc1ccccc1)NCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587228835 RVXCZNSALRFTNY-UHFFFAOYSA-N 412.518 4.741 0 1 HJAF C[C@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332628 SXNGYCILKWFHOL-AZUAARDMSA-N 420.362 4.564 0 1 HJAF Cc1ccc2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2c1 587341815 XUOBYXTVBLIPFW-ISKFKSNPSA-N 402.425 4.762 0 1 HJAF COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587346895 CHHTVORKZKQGFO-LADGPHEKSA-N 408.425 4.606 0 1 HJAF COc1cc(O)cc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2 587410564 YFXMURMAHODRJH-WIOPSUGQSA-N 417.461 4.676 0 1 HJAF CCC[C@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452874 PXMMGWKPBAIZPV-WAIKUNEKSA-N 408.523 4.797 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587453158 VEGVPWQWEQUATG-ZHRRBRCNSA-N 406.459 4.699 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(OCC(=O)O)ccc3ccccc13)CC2=O 587484721 UOTYHJDKLRLMET-OAQYLSRUSA-N 406.434 4.668 0 1 HJAF O=C(O)/C=C/C1=COc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587505185 YULMOUQSLRLMBF-JHEAYKPVSA-N 422.864 4.997 0 1 HJAF COC(=O)c1ccnc([C@@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1 587516016 TTWPOZHHKJDCCY-CPJSRVTESA-N 405.494 4.809 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)(c1cccc(F)c1)CC2 587569358 HRTJURCNYBQOQP-BURHJUHKSA-N 420.436 4.694 0 1 HJAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cc1 587622230 GCEQEDVVUHUTQG-UHFFFAOYSA-N 420.213 4.930 0 1 HJAF Fc1cc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587628700 STFQGHQFHXNSOT-UHFFFAOYSA-N 408.702 4.800 0 1 HJAF C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC(C)C 587702612 FCPRGUYFXJVBNY-PPPRTXNZSA-N 409.265 4.782 0 1 HJAF COc1cc(F)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587722694 ZPXIZWNIQHHWAZ-GIGQVBGESA-N 412.274 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2-n2cccn2)N1 587728791 FQZPEUCOEGNRCW-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798188 OCHSUJSTPPWROI-LHSJRXKWSA-N 420.322 4.546 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587825173 GIAREXYLRUDRMH-BSWYJSDQSA-N 410.327 4.619 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(C)n1-c1ccccc1 587866193 XIWKBVTTXCITSM-UHFFFAOYSA-N 413.403 4.846 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c(F)c4[nH]1)(C3)C2 587950040 IVYCHLTYDBZOQZ-ORMMXULVSA-N 407.283 4.618 0 1 HJAF Cc1c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)ccc2n[nH]cc12 653677661 GKSNEZLHIIZEGL-AWEZNQCLSA-N 413.477 4.931 0 1 HJAF CC(=O)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(C)=O)cc3)N2C)cc1 653709111 GRFPEIGLBZLKER-PSWAGMNNSA-N 423.553 4.956 0 1 HJAF Cc1ccc(S(=O)(=O)Oc2cccc(-c3cc4cc(C)ccc4oc3=O)c2)cc1 653758684 RAYARSWFEGXLQO-UHFFFAOYSA-N 406.459 4.845 0 1 HJAF Cc1cc(C)cc([C@]2(C3CC3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c1 962640008 NBOSKSNBNKKSMD-IZZNHLLZSA-N 400.522 4.604 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](O)[C@]2(C(=O)O)CC(=O)N[C@H]12 2356805388 VHNPWMQYDSVFFH-QQKQFIJSSA-N 415.574 4.836 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@H](C(C)C)CC[C@@](C)(O)[C@H]1O2 13308454 OQZVJZANQOAJDB-URWKRNFESA-N 424.537 4.878 0 1 HJAF biogenic O=c1c(-c2ccc(Cl)cc2Cl)cncn1[C@@H](CN1CCCC1)c1ccccc1 13488429 QYHVPBIPLXLQGO-NRFANRHFSA-N 414.336 4.902 0 1 HJAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCI)[C@H]1CCC2=O 14947037 YFNOWJDURKUMMD-ACZWYYKOSA-N 424.322 4.813 0 1 HJAF COc1ccc(-c2ccc(C#N)cc2F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22449627 BJOOHYLOKXAENV-AHWVRZQESA-N 415.512 4.956 0 1 HJAF in-vitro COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@@H]2CC[C@H]1N2C 28136391 LUFCSMMNKWCPJV-WFXMFSGNSA-N 420.372 4.917 0 1 HJAF CSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 28709030 RVQIEVZCJQUOOM-UHFFFAOYSA-N 402.932 4.591 0 1 HJAF O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1 38346899 GIYCUMSDCASBAI-UHFFFAOYSA-N 421.566 4.718 0 1 HJAF COC(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C 95556991 VCCUXEIYWSFCDI-FTJBHMTQSA-N 424.500 4.575 0 1 HJAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)c1 103624293 KEBHKUIDINWZMA-JOCHJYFZSA-N 419.481 4.546 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@]12C 254045824 ZHUOOEGSSFNTNP-YSGFKWQCSA-N 406.607 4.566 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H](O)[C@]34C)N2C1 257373597 AANKDJLVHZQCFG-RVBRSXENSA-N 413.646 4.626 0 1 HJAF CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(C(F)(F)F)cc3n2)c1 299836564 NKZAXYMWQKPYLB-UHFFFAOYSA-N 423.822 4.947 0 1 HJAF C[C@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586962981 VWUFVEMRLHSLNK-ZETCQYMHSA-N 419.226 4.867 0 1 HJAF CCCC(Br)(CCC)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586970350 DKPWMNCGABFXOJ-UHFFFAOYSA-N 405.340 4.509 0 1 HJAF Clc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2nc1Cl 587003456 VGFSVVZOZIMENO-UHFFFAOYSA-N 411.090 4.620 0 1 HJAF N=c1[nH]c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc-2c(Cl)[nH]1 587060354 CGBAISJAVCHNDH-UHFFFAOYSA-N 407.264 4.906 0 1 HJAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(N)c(N)cc2[nH]1 587121380 AJYVYBOPWHXENR-UHFFFAOYSA-N 405.405 4.725 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587121459 FFTBIXKYZPNXFB-KRWDZBQOSA-N 401.348 4.709 0 1 HJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(F)c2)c1 587138950 XIXJWQAEOCRSLB-UHFFFAOYSA-N 412.323 4.711 0 1 HJAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(F)c2[nH]1 587141301 OKOHMTXWRWIOTO-INIZCTEOSA-N 413.877 4.560 0 1 HJAF CC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335848 MQVVAVCUSWLXGE-UKILVPOCSA-N 417.436 4.690 0 1 HJAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343765 DJNYKQGKPBQYDR-RDPSFJRHSA-N 423.440 4.703 0 1 HJAF C[C@]1(c2ccc(-n3ccnc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344657 XLDCVYOOMNYZSX-ILBGXUMGSA-N 414.436 4.991 0 1 HJAF CCOc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357774 ONVCNDKCXYUOCH-NOZRDPDXSA-N 420.436 4.967 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361506 ZBPVXFDJUQQFFP-ISKFKSNPSA-N 406.409 4.577 0 1 HJAF CC1(C)Cc2sc(N)nc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587375142 RESSJDWTYZNNKI-JPYJTQIMSA-N 424.497 4.797 0 1 HJAF Cc1cc(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1 587511594 LYQCVKLKJFISCN-RUZDIDTESA-N 416.477 4.995 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1 587555835 MJQQQKRYNGNNQU-PXNSSMCTSA-N 402.324 4.994 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccccc1 587579303 DBDGMBIOZYHHHQ-OZXSUGGESA-N 424.456 4.771 0 1 HJAF COc1cc(SC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587613839 PIQOZLHCNLVCIL-NZQKXSOJSA-N 424.474 4.834 0 1 HJAF Cc1ccc(O)c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)c2cccc(F)c2)c1 587649837 LQLPTLQGVUECRA-UHFFFAOYSA-N 423.465 4.623 0 1 HJAF COc1ccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc2c1 587661863 DLXLNIUYVROORI-UHFFFAOYSA-N 403.438 4.810 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2OC(F)(F)O3)N1 587723938 ZRIZFCWXKHLZHX-HUTHGQBESA-N 414.221 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2ccccn2)N1 587729668 HXQUSZWBBXKLIC-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF Cc1cccc([C@]2(c3cnc[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587794233 UIHCQGRIYACDDF-YEJXKQKISA-N 414.322 4.754 0 1 HJAF CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc(Cl)cn1 587861218 OIJIVJXBQRLGHN-HNNXBMFYSA-N 412.799 4.719 0 1 HJAF CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)NCCc2c1sc(C)c2C 963033035 WPBVHPCGYZKCON-IIBYNOLFSA-N 409.954 4.940 0 1 HJAF CCOC(=O)CC[C@]1(c2cccc(N(C)C)c2)NCCc2c(Cl)cc(Cl)cc21 963118561 GBCLKDWPBFLTEJ-JOCHJYFZSA-N 421.368 4.792 0 1 HJAF NCCN(C(=O)c1cccnc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 1772575419 VSLJWOSHKDYITC-UHFFFAOYSA-N 416.308 4.573 0 1 HJAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(C)(=O)=O)c2)c1 1772601656 PDOAVZALXFXDPN-UHFFFAOYSA-N 407.417 4.618 0 1 HJAF COc1cc(O)c(C(=O)[C@@H]2[C@H](/C=C/C(C)(C)O)C(C)=CC[C@H]2c2ccccc2)c(O)c1 1772641981 LSFVIWFEGUFCDX-KUTKNCKESA-N 422.521 4.982 0 1 HJAF Cc1ccc(C(c2c(N)c3ccccc3oc2=O)c2c(N)c3ccccc3oc2=O)cc1 1857559629 PDYKWCQQQGAUPO-UHFFFAOYSA-N 424.456 4.552 0 1 HJAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@@H](Cc2nnc(-c3cccnc3)o2)C[C@@H]1C(C)C 2356553583 GRIXRNROZSZXME-WZYRSQIMSA-N 424.589 4.640 0 1 HJAF O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 627308 GXGYVTHIFQPHQU-ZIAGYGMSSA-N 418.852 4.561 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)cc1F 4153251 MYDDPBVCDZJNDY-FPOVZHCZSA-N 418.896 4.886 0 1 HJAF O=C1CN2C(c3ccc(Cl)cc3)=NO[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1 8387073 FUXUHNHQROIECH-QFIPXVFZSA-N 424.287 4.841 0 1 HJAF biogenic Oc1cccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc12 13490084 LKRVLHRSQXBLNK-SFHVURJKSA-N 422.550 4.708 0 1 HJAF CCc1nc2c(n1[C@H](CC)C1CC1)C(=O)N(C)CN2c1ccc(OC)cc1Cl 13582839 KIWPVSULSDESLB-MRXNPFEDSA-N 402.926 4.650 0 1 HJAF CCN(CC)c1ccc(NC(=O)[C@]2(NC(=O)OC(C)C)CCc3ccccc3C2)cc1 28349885 YEVUBNXQNDXEJT-VWLOTQADSA-N 423.557 4.534 0 1 HJAF Cc1nc(C)c(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc1C 28713640 ADZCSAYTXRAOAN-RUZDIDTESA-N 420.988 4.962 0 1 HJAF Cc1sc(-c2ccccc2)nc1Cc1cc2cc(C[C@H]3OC(=O)NC3=O)ccc2o1 29329211 BTUPRSWECAIPRL-HXUWFJFHSA-N 418.474 4.633 0 1 HJAF CC(C)(C)c1ccc(OCC(=O)O)c([C@]2(c3ccccc3)C(=O)Nc3ccccc32)c1 35879050 CQNUPEAFAUUEDC-AREMUKBSSA-N 415.489 4.734 0 1 HJAF C[C@@H]1CN(Cc2nc3ncccc3n2C)CC[C@@H]1c1ccc(OC(F)(F)F)cc1F 43206343 CQTZXNPIJZSXKK-HIFRSBDPSA-N 422.426 4.632 0 1 HJAF CSCCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45386776 CXWFUEQMTADWKS-ZDUSSCGKSA-N 412.399 4.649 0 1 HJAF CCN(CC)C(=O)/C=C1/CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 98082593 XZGUOAXOYPYCGD-PTODDXFPSA-N 400.607 4.645 0 1 HJAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2cc(F)cc(F)c2)CC1 101140188 CHXBPRRBJHZMOP-IFUYJKAGSA-N 404.501 4.923 0 1 HJAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3ccccc3F)n2)C1 168244316 CTMMAHRPYPQKSU-BBWFWOEESA-N 404.489 4.766 0 1 HJAF CCCC(=O)c1ccc(OCCCCOc2cccc(C(=O)O)c2C)c(C)c1O 169351447 RTZVIXOIFJEZOY-UHFFFAOYSA-N 400.471 4.928 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C\CC/C(C)=C/[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 169363958 SVAFVUMQBHODCP-ACLJNSHISA-N 404.547 4.816 0 1 HJAF CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](O)/C=C\2C)cc1 169692860 LSDICXYPPJEUGV-YEZFASAMSA-N 400.515 4.991 0 1 HJAF COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@@H]5CCCC[C@H]5O4)cc3)ccc2c1 253951192 ICLVRPDPZWNNKL-CYXNTTPDSA-N 403.522 4.934 0 1 HJAF CN(CCCn1cc(CNc2ccnc3cc(Cl)ccc23)nn1)c1ccccc1 473085073 VHQVURABYVDXFW-UHFFFAOYSA-N 406.921 4.618 0 1 HJAF O=C(O)CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990113 VGPCJIXRVPFQES-UHFFFAOYSA-N 411.413 4.672 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(Cl)cncc4[nH]3)cc2cc1Br 586998822 PFDFPEGWTFFAJJ-UHFFFAOYSA-N 420.650 4.546 0 1 HJAF Cc1nc(C)c(Cc2nc3cc(Br)c(Br)cc3[nH]2)s1 587013034 VZRODYOMOCSGGN-UHFFFAOYSA-N 401.127 4.752 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587164175 XNXZTEMVRWPARL-UHFFFAOYSA-N 402.425 4.706 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(CCC(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 587332981 UIFIYBOPGZSCDO-IBGZPJMESA-N 423.406 4.677 0 1 HJAF Cc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333148 HTHQCNOOPYNMCU-UKILVPOCSA-N 419.452 4.986 0 1 HJAF CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352077 NUVWSWZXOYQDNJ-RCZVLFRGSA-N 420.436 4.982 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc4cc(Br)ccc4s1)[C@@H](C2)C3=O 587453417 QKUGLFBBYYVDQW-GTNSWQLSSA-N 402.269 4.556 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(C(=O)O)o3)c1)CC2=O 587486293 XHPQCFRROQGYLU-JOCHJYFZSA-N 422.433 4.921 0 1 HJAF Cc1nccn1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576687 KETRWXJYLPFYRU-RCZVLFRGSA-N 412.445 4.763 0 1 HJAF C[C@H](c1ccccc1)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580690 CXLPLAYHELWDOE-CFRFINDLSA-N 401.462 4.560 0 1 HJAF Cc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587775421 QXLMMQPVANZMDY-RNODOKPDSA-N 412.306 4.977 0 1 HJAF CCOC(=O)c1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587796383 KDRZLMPCAPNQHS-LRTDBIEQSA-N 420.322 4.757 0 1 HJAF COc1cc(C[C@]2(C)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)ccn1 961773182 DZEALTXKZWAUBH-RUZDIDTESA-N 423.557 4.699 0 1 HJAF COc1cc(OC)cc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)c1 1857584184 OEPXJHWZUIBFGP-UHFFFAOYSA-N 415.493 4.528 0 1 HJAF Nc1cccc(-c2csc(NC(=O)CCCCCC(=O)Nc3ccccc3N)n2)c1 1857621152 XGQUMWJYGRJITL-UHFFFAOYSA-N 423.542 4.502 0 1 HJAF COc1ccc([C@@H]2C=CCN(Cc3ccco3)CC(=O)N2Cc2ccc(F)cc2)cc1 18043556 PGTWOWLVWXUBPP-DEOSSOPVSA-N 420.484 4.569 0 3 HJAF Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2)no1 61908730 MJWXIUIMHMGYCM-FQEVSTJZSA-N 407.445 4.742 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4080599 XVSQGDAPUAXGEB-PZJWPPBQSA-N 417.912 4.553 0 1 HJAF CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)c(C)c2)ccc1O 29123298 XIMPYMRWGLSCHE-UHFFFAOYSA-N 402.494 4.604 0 1 HJAF O=C(O)c1ccc(-c2cnc([C@@H](O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29135817 YSKMCXYSGIKVAP-NRFANRHFSA-N 400.434 4.768 0 1 HJAF O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cccc(-c4ccccc4)c3)cc2)C1 95555470 KETPPLLAPQURIV-JOCHJYFZSA-N 421.518 4.506 0 1 HJAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CCN1 95598468 STCHQGWWNVWUJT-IBGZPJMESA-N 417.528 4.563 0 1 HJAF C1=C(c2c[nH]c3ccccc23)C[C@@H]2CC[C@H]1N2CCOc1cccc2c1OCCO2 95607638 DJNWXEYVXXAHII-MOPGFXCFSA-N 402.494 4.638 0 1 HJAF COc1ccc(CC(=O)Nc2cc3nc(C4CCCCC4)[nH]c3cc2N(C)C)cc1 103255821 IJSPQDZHSOPTAI-UHFFFAOYSA-N 406.530 4.866 0 1 HJAF CC[C@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br 168270298 YEPIOFDLMGAKEX-VCGICTTQSA-N 415.382 4.909 0 1 HJAF Oc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)n1 169726268 BNORPTGPKVWAPY-MRXNPFEDSA-N 400.301 4.967 0 1 HJAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1c(F)cccc1Cl 222418869 BIKSJBQYLXGSCK-UHFFFAOYSA-N 406.848 4.679 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 299886551 XIZKWAWVFHODKQ-ZRGWGRIASA-N 411.506 4.571 0 1 HJAF CCc1c(-c2cc3c(cc2N)OCCO3)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986631 DRFJPDOXNUXURV-UHFFFAOYSA-N 424.456 4.735 0 1 HJAF CN1C(=O)/C(=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987784 GFONOSYUMRSZOV-CPNJWEJPSA-N 404.425 4.669 0 1 HJAF Brc1nccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587018306 VMQPULQLERFWNR-UHFFFAOYSA-N 423.299 5.136 0 1 HJAF CCc1ccc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2c1 587063068 MPXUAPUHDYLEII-HTAPYJJXSA-N 411.933 4.872 0 1 HJAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587068580 CTPWQOVKDHAJTI-CYBMUJFWSA-N 421.888 4.652 0 1 HJAF Cc1cc(C)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 587140095 GEMWGAQWAFINSM-UHFFFAOYSA-N 413.449 4.926 0 1 HJAF CC(=O)NC1(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CCC(C)CC1 587234623 RXIUBSFAXHTLNU-UHFFFAOYSA-N 422.367 4.902 0 1 HJAF COCCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587352766 XKPQEIOVNLFWDT-UKILVPOCSA-N 422.452 4.831 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587419518 GNYGRFUJCRUKHJ-DJJJIMSYSA-N 416.861 4.579 0 1 HJAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587424213 YBZYEGAXMUNKJV-REHOCOGGSA-N 404.293 4.720 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587475957 RJXPHKMSHNZYPS-MRXNPFEDSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(C(=O)OCc3ccccc3)C1)CC2=O 587476560 PZPDKEINHZBRKW-FDDCHVKYSA-N 423.509 4.727 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](CC=C(C)C)C(=O)c2ccccc21 587479305 HTNYLQXACBPXQX-SIBVEZHUSA-N 418.489 4.943 0 1 HJAF CCOC(=O)C[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598834 VLWVLPJZKFGMFP-RDGATRHJSA-N 418.445 4.511 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1 587709618 BQNHMAWTARKEEB-XLFHBGCDSA-N 417.244 4.987 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2F)N1 587737880 HYGHBKUCAOGZST-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c(F)cc(F)cc32)N1 587737999 JDZUXDMKBPNXBS-OVWNDWIMSA-N 412.249 4.817 0 1 HJAF CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757969 VVIBREQIJNDXGN-BLVKFPJESA-N 415.347 4.643 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C2CCCCC2)N1 587765762 UDMBLIBRCUPOFM-MPBGBICISA-N 406.343 4.993 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(C)(C)C)nc2O)N1 587772006 UXEWNQTWLQPOCR-GIPWTMENSA-N 407.327 4.784 0 1 HJAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587833368 GELOSBURUCCRIW-ZBUHCNDUSA-N 406.295 4.771 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)s2)N1 587855360 VDQZUNZWTVMXJH-PIGZYNQJSA-N 410.356 4.659 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3nc(Cl)sc3C2)N1 587857647 MGOGQBWFLDSNDX-PWJLMRLQSA-N 401.732 4.617 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cccc(-c4cccs4)n3)N12 962657591 CLUCTTUMCJHFFX-XUZZJYLKSA-N 415.518 4.546 0 1 HJAF Cc1ccc(F)c([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1Cl 962699943 DYAGOAINYAFJML-BBRMVZONSA-N 405.750 4.634 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2cc(Cl)ccc2Cl)(C(F)(F)F)N1 962908348 VRGIKCRTKLVENJ-XJKSGUPXSA-N 408.178 4.537 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 962944916 IGKXBDJQNYWUGK-UCOWVFGFSA-N 407.533 4.934 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1cc(-n2ccnc2)cs1 962950951 FFXPVSMPJBGXDI-LJQANCHMSA-N 419.472 4.693 0 1 HJAF CCOC(=O)[C@@H](C)[C@@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 962997964 NDKHZFZHDJKKLQ-ZHRRBRCNSA-N 412.580 4.706 0 1 HJAF CCOc1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1OCC=C(C)C 963037791 WBPNROIXQMNQIH-CJAUYULYSA-N 406.526 4.573 0 1 HJAF CCCSc1nc(NCC2CCCCC2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857765183 UVQDXQDUFFYKGA-UHFFFAOYSA-N 423.586 4.729 0 1 HJAF C[C@H]1[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044493 WGBQZCXDHQHFLU-BBTHKVSRSA-N 423.479 4.787 0 3 HJAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NC2CCCC2)cc1 776868 CYYZAKNJYIMZKQ-UHFFFAOYSA-N 422.481 4.707 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213313 BYNGGFFMJBPNRX-VHKYSDTDSA-N 411.949 4.559 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5C)CC4)[C@H]3C=C12 6268136 QZODJIXEZBBWEI-PTTWGSOISA-N 420.597 4.660 0 1 HJAF biogenic O=C1N(Cc2cccc(Cl)c2)c2cscc2S(=O)(=O)N1Cc1ccccc1 27332290 UTUNXHDUZCLGPJ-UHFFFAOYSA-N 418.927 4.733 0 1 HJAF CC(C)(C)OC(=O)n1cc(C[C@@H]2CN(Cc3ccccc3)CC[C@@H]2O)c2ccccc21 27617319 WEFVJADSVQYLMI-QPPBQGQZSA-N 420.553 4.850 0 1 HJAF CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccnc2)[C@H](c2ccccc2)O1 28365082 AJAHHNBMOVHVLZ-VXKWHMMOSA-N 403.482 4.763 0 1 HJAF CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@@H](O)CO)cc2Oc2ccccc21 33889757 JJRNTCBZXIPXTL-SFHVURJKSA-N 404.462 4.599 0 1 HJAF CC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 38346546 HCGIGSLNXOXHGJ-UHFFFAOYSA-N 406.511 4.596 0 1 HJAF Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)CO)cc3)c(F)c2)cc1 43177260 VYFZAYULNQOSQP-UHFFFAOYSA-N 411.542 4.567 0 1 HJAF CN(C)CCCNCc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1 45302607 VLIZTSURKJKGIQ-UHFFFAOYSA-N 401.598 4.727 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 49015255 FZSXHRMZIAUGIF-QKONGSNMSA-N 402.623 4.772 0 1 HJAF COc1cc2nc(NCCc3ccc(O)cc3)nc(NCCC(C)(C)C)c2cc1OC 82129092 GYZUSIPIUJGHOD-UHFFFAOYSA-N 424.545 4.855 0 1 HJAF c1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)cc1 82178529 DNWXUBSYZMLWEA-UHFFFAOYSA-N 412.522 4.805 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2cc(C)ccc2C)nn1C 103193687 DWEYTMAUGXHXNV-PXLXIMEGSA-N 420.509 4.752 0 1 HJAF COc1cccc(F)c1[C@@H]1C[C@@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167136634 NXXKGTAACDQFCQ-HIFRSBDPSA-N 417.786 4.814 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167386275 ZEBODEPVZIPGLD-LAUBAEHRSA-N 402.494 4.876 0 1 HJAF C[C@H]1COCCN1c1nc(-c2cccnc2)nc2nc(-c3ccc(Cl)cc3)ccc12 169007453 LELGTHAVSLRMFV-HNNXBMFYSA-N 417.900 4.632 0 1 HJAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NC3CCCC3)c2n1 207616971 FTGCXJUUXWHRIJ-UHFFFAOYSA-N 415.501 4.532 0 1 HJAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccccc4Cl)cc3=O)cc21 223449904 JHYUZNZTYUQMSZ-UHFFFAOYSA-N 405.885 4.834 0 1 HJAF CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(COC(C)=O)CC[C@H]1C(C)(C)O2 473135909 VVGKJYWKBQPUEW-QZTJIDSGSA-N 416.514 4.977 0 1 HJAF Brc1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc2c1OCCO2 587001361 NSJYQROMINUETO-AATRIKPKSA-N 408.255 4.815 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc4ncccc4c3[nH]2)cs1 587019432 MUKIWFNEHYVZGA-UHFFFAOYSA-N 400.467 4.802 0 1 HJAF Cc1nc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1Br 587075311 BCRVBALEOPQWCI-UHFFFAOYSA-N 418.682 4.517 0 1 HJAF Clc1ccc(-n2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)nn2)cc1 587076879 YGTAQKFUIWPTFC-UHFFFAOYSA-N 409.074 4.880 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587108710 PVDQKYKXPGMTJX-UHFFFAOYSA-N 420.572 4.758 0 1 HJAF Cc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br 587132524 RXOGJSQSITWSCK-JTQLQIEISA-N 416.266 4.603 0 1 HJAF CCOC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587351268 TUNMCZIDOADHHK-RDGATRHJSA-N 420.436 4.982 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OC(F)(F)F)ccc1Br)O2 587382254 LBWIYSDZPZJMFE-OAHLLOKOSA-N 416.193 4.945 0 1 HJAF COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401838 YXNPBIXPVRJYQL-VWLOTQADSA-N 417.461 4.686 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cnc3cc(C)c(Br)cn13)CC2=O 587458891 LVVXQRWUCQJKDX-SFHVURJKSA-N 415.287 4.770 0 1 HJAF CC(C)(C)OC(=O)N1[C@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587516233 AWFBUBIDTMHXCL-CYFREDJKSA-N 415.530 4.661 0 1 HJAF COC(=O)CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613472 PAFPQOUUJQGFAP-REWPJTCUSA-N 424.474 4.654 0 1 HJAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587623039 XIQZPCLDQYNTIK-UHFFFAOYSA-N 420.213 4.929 0 1 HJAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]c1Br 587687703 ZTKVFSBFXXHSAU-VPTHRUTESA-N 416.132 4.785 0 1 HJAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587691885 DXYKGDPJZYIUFL-HUTHGQBESA-N 412.686 4.652 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(=O)OC(C)(C)C)N1 587753816 JTKOZLWWEUJSKR-PIGZYNQJSA-N 409.299 4.797 0 1 HJAF Cc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc12 587779460 SLVSACXBGLIJAI-NSPYISDASA-N 401.279 4.774 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798937 QFDAOWFMHGOESX-SZNDQCEHSA-N 420.322 4.546 0 1 HJAF COc1cccc(C[C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811140 VLELDYACFSCFOF-ASSNKEHSSA-N 404.323 4.979 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1 587847910 MSUMOEHHUIKQPJ-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF O=C(NCCCCCC(=O)C(F)(F)F)c1nc(-c2nccs2)sc1C1CC1 653706799 WCRZTBRZXCWGKV-UHFFFAOYSA-N 417.478 4.566 0 1 HJAF CCN(CCCCCCNC(=O)/C=C/c1ccc(O)c(OC)c1)Cc1ccccc1 653715434 CUKRMTPCOSSILU-JQIJEIRASA-N 410.558 4.613 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1c(F)ccc(C(F)(F)F)c1F)N(C)[C@H](C)C2 962642442 UUIIUMGTYBFTRS-DGIBIBHMSA-N 401.375 4.967 0 1 HJAF Cc1ccnc2c1CCN[C@]2(C)c1cn(Cc2cnc(Cl)s2)c2ccccc12 963068448 LHIVLYBHEGLYPK-JOCHJYFZSA-N 408.958 4.912 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](CCCOc2ccccc2)N1 963169043 GQUBLHCJINUPBL-ROUUACIJSA-N 413.823 4.858 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](C[C@H]1NCC(C)(C)c2cc3c(cc21)OCO3)C(C)(C)C 963391707 XEFJRTJQIVINOE-APWZRJJASA-N 404.551 4.667 0 1 HJAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2563127 AELZDZIWKOZSSW-RIDRLPTGSA-N 418.574 4.709 0 1 HJAF biogenic CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc4c(c3O[C@@H]21)C[C@@H](O)C(C)(C)O4 15217334 UNODSKHATHZQGW-ANJVHQHFSA-N 408.494 4.585 0 1 HJAF in-vivo C[C@@](CCCC(=O)CCC[C@@](C)(C(=O)O)c1ccccc1)(C(=O)O)c1ccccc1 28464647 IQLPABDFKBFCLG-PLQXJYEYSA-N 410.510 4.981 0 1 HJAF CSc1nnc(-c2cn3ncnc(Nc4cnc5[nH]c(C)cc5c4)c3c2C(C)C)o1 29047303 QEVHIVQQGVWVBN-UHFFFAOYSA-N 420.502 4.553 0 1 HJAF Cc1cccc(CSc2nnc([C@H](C)Sc3nc4nc(C)cc(C)n4n3)o2)c1 40404074 DSFXOFJJZVCBKS-AWEZNQCLSA-N 412.544 4.578 0 1 HJAF CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71341387 DMKXYRKEZCMCCQ-HXUWFJFHSA-N 412.489 4.509 0 1 HJAF O[C@H](CNCc1cccc(C(F)(F)F)c1)Cn1c2c(c3ccccc31)CCCC2 73170201 IIDSADRYCAZLGR-GOSISDBHSA-N 402.460 4.690 0 1 HJAF c1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)cc1 82178445 XSTZKUAFDPNNBV-UHFFFAOYSA-N 418.589 4.972 0 1 HJAF COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1 100101715 OWIYILFUMNWNLN-UQWUFBTJSA-N 414.549 4.619 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1OC 103539029 CJHURKRGFPGOJU-MRXNPFEDSA-N 422.407 4.622 0 1 HJAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](C)[C@H]3O 118919790 MXZOUETYQZMNJY-TWPJQBFCSA-N 406.607 4.724 0 1 HJAF Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC(C)C)c1O 169351390 ULWCVJYRXWBACL-UHFFFAOYSA-N 400.471 4.866 0 1 HJAF CCCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1C(F)(F)F 169714268 AEMZECXPGMETJX-SJLPKXTDSA-N 411.420 4.670 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1CC[C@](C)(COC(=O)/C(C)=C/C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@@]31C 238779506 ULHQJKWCAOIZNP-XWUMIYTGSA-N 416.558 4.651 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13 255269519 SZDAYVWJPZICBE-KNWQDMBOSA-N 414.678 4.663 0 1 HJAF Cc1ccc(NC(=S)NC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cc1 299866835 PNDARLUMDLGPEX-UHFFFAOYSA-N 408.546 4.946 0 1 HJAF CCOc1n[nH]c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1Br 586978871 APMRPIJDSJXJKP-UHFFFAOYSA-N 407.215 4.726 0 1 HJAF Clc1cnc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2c1 587020978 GFRWAWWYQNCMFN-UHFFFAOYSA-N 404.886 5.540 0 1 HJAF O=c1cccc(-c2nc3cc(Cl)ccc3[nH]2)n1CCOc1ccccc1Cl 587064378 RLDNRHCRJJREDZ-UHFFFAOYSA-N 400.265 4.777 0 1 HJAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)c(Cl)c1 587159977 ZZDDTWYVSBEKBQ-CQSZACIVSA-N 418.906 4.891 0 1 HJAF CCc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 587167041 FZIZHADCVDJCJG-UHFFFAOYSA-N 401.488 4.794 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587173946 AXFLTYDAWXDCJJ-UHFFFAOYSA-N 420.897 4.582 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc(Br)cc31)O2 587373354 UICJSFNJIMPECC-HXUWFJFHSA-N 402.288 4.762 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4ccc(C)cn14)[C@@H](C2)C3=O 587426246 BQSHZJOMZULEFZ-BVZFJXPGSA-N 414.436 4.946 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c(Cl)c1)CC2=O 587460356 FKUFRVGFLATPLR-OAQYLSRUSA-N 401.890 4.541 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cccc1I)CC2=O 587469592 AWUDMZMTBWQIJK-QGZVFWFLSA-N 422.262 4.964 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CC2=O 587475139 MMOOYQYZSCHFER-CMJOXMDJSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 587478456 SDHDCSFTBAHBHV-LTQWCFAGSA-N 403.519 4.857 0 1 HJAF COC(=O)c1cc(Cl)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547345 LUHHMCSMVYLSHL-XXBNENTESA-N 424.836 4.709 0 1 HJAF Cc1nn(CC(C)C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 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COc1cc2c(cc1OC)[C@](c1ccc(OC(C)C)cc1)(c1ncco1)N(C)[C@@H](C)C2 962618752 CCUFIFQELOWNFL-SSOJOUAXSA-N 422.525 4.647 0 1 HJAF CC(C)(C)c1cc(Br)c(F)c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962909391 LZJAVOHOBWBRAX-FUHWJXTLSA-N 424.285 4.713 0 1 HJAF Cc1ccc(NCC[C@]2(c3ccc(F)cc3)NCCc3nc4ccccn4c32)cc1C 962979961 BFUOUMVTOHVXFZ-AREMUKBSSA-N 414.528 4.982 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cnn(-c2cccc(C(F)(F)F)c2)c1 963052997 FUDMKJTWDCUYSJ-OAQYLSRUSA-N 424.426 4.683 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)[C@@H](C)Oc1ccccc1-n1cccc1 963613671 VNQBRNRQZYUUOM-ATLLOTDBSA-N 406.526 4.711 0 1 HJAF O=C(CN1CCC[C@H](c2nc3ccc(Cl)nc3[nH]2)C1)c1cc(Cl)cc(Cl)c1 1772618193 NNLCFRRUQIPDSH-NSHDSACASA-N 423.731 4.980 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H](O)[C@@]2(C(=O)O)CC(=O)N[C@H]12 2356805387 VHNPWMQYDSVFFH-PWWKTKHKSA-N 415.574 4.836 0 1 HJAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 774705 IZKCRBFIYAZJKA-GFCCVEGCSA-N 423.271 4.955 0 1 HJAF CCc1cccc(NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)c1 8595230 JAGFCOCGJZDYGL-UHFFFAOYSA-N 403.507 4.784 0 1 HJAF CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@H](O)CC=C(C)C)OC1 27892935 NIYAENRGXVJXGA-AFKDVAOWSA-N 424.578 4.500 0 1 HJAF CN1CCCC[C@H]1CCn1c(CN(C)[C@@H]2CCCc3cccnc32)nc2ccccc21 38225711 SAIRRLKOMQEJAC-XUZZJYLKSA-N 417.601 4.815 0 1 HJAF CC(C)N(CC[C@@](CCN1[C@@H](C)CCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C 39254157 ONEJDEZBRATPQC-BKSPAHHJSA-N 419.629 4.711 0 1 HJAF COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 43079205 HARYENMNTXZURV-UHFFFAOYSA-N 424.585 4.915 0 1 HJAF CC[C@H](C)C(=O)c1c(O)cc2oc3c(C(=O)[C@H](C)CC)c(O)cc(O)c3c2c1O 49088903 FOVPRACMJLBLEN-VHSXEESVSA-N 400.427 4.866 0 1 HJAF CN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccc(Br)cc2)n1 72184315 CFAOLKFVYBXDJK-UHFFFAOYSA-N 414.347 4.668 0 1 HJAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 96922457 IYPSSJCRWHANLL-PGRDOPGGSA-N 402.542 4.792 0 1 HJAF O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccccc1 103226415 VMZMQIKERMDXRW-QHCPKHFHSA-N 422.406 4.518 0 1 HJAF CN[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]3C1(C)C 255219281 IDOHCEDWHOEHNL-MNJKLEDESA-N 416.694 4.934 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@]3(C)CC[C@H]21 255230894 LZEIPUNOEUQFEG-VHESCTIXSA-N 414.586 4.695 0 1 HJAF O=S(=O)(Cc1nc(-c2ccc(F)nc2)c2sccc2n1)c1cccc(Cl)c1 299839858 TVUBPXNJQBSPBD-UHFFFAOYSA-N 419.890 4.520 0 1 HJAF CC(C)(C)CN1C[C@@H](N)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12 584904931 CWDGHXCEKKZGEC-ZWCUEREDSA-N 418.368 4.614 0 1 HJAF in-vitro Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586915369 KPIXYPSZJFDNNG-UHFFFAOYSA-N 414.396 4.656 0 1 HJAF CC(C)Oc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586938275 PUSHEJXXABUAOD-IBGZPJMESA-N 421.950 4.679 0 1 HJAF COc1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2c1 586947590 UZIRFZXWSAQAAZ-UHFFFAOYSA-N 407.495 4.656 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccccc3N3CCOC3=O)nc3ccc(O)c1c23 586988004 KIKZTVGKTORQNQ-UHFFFAOYSA-N 408.413 4.775 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162764 IYKJNGDBFZCYOO-UHFFFAOYSA-N 417.440 4.727 0 1 HJAF COc1cccc(OC)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353565 RABIPDFYBMLMHU-URXFXBBRSA-N 408.425 4.823 0 1 HJAF CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587383679 DSJZVAQLIJQODV-IBGZPJMESA-N 411.458 4.564 0 1 HJAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587581499 LOYJIEBJRKTDLG-RCZVLFRGSA-N 412.445 4.763 0 1 HJAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC 587590574 COTPHKKRFDARNY-YKSBVNFPSA-N 406.434 4.595 0 1 HJAF COc1ccc2c(c1)C(C)(C)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599215 DGNWPKBVHULUNO-BWKNWUBXSA-N 402.446 4.939 0 1 HJAF CC(C)Oc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659718 BLXZVGFYWBQDJN-UHFFFAOYSA-N 402.425 4.678 0 1 HJAF Cc1c(Br)cncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587683640 OGLVRABTSCWQBB-VPTHRUTESA-N 414.116 4.678 0 1 HJAF Cc1cc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1Br 587872172 JOHIPJKWFJHQRW-UHFFFAOYSA-N 403.207 4.585 0 1 HJAF O=C(CCn1nc(C(F)(F)F)cc1C1CC1)n1nc2cc1Oc1ccc(F)cc1-2 587873700 HKBABWCPLAUECU-UHFFFAOYSA-N 406.339 4.618 0 1 HJAF COc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)ccc1OCCCN(C)C 962673625 ZHEZGGLEMADXLA-MHZLTWQESA-N 416.565 4.928 0 1 HJAF COc1ccc(CNC(=O)N2[C@@H](C)c3ccncc3N(CCC(C)C)C[C@H]2C)cc1 1772581855 XQYOVNZLIOPUGU-MOPGFXCFSA-N 410.562 4.618 0 1 HJAF Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)CC(C)C)cc3)ccc12 1772640041 NFJGSJKUAZVCPD-UHFFFAOYSA-N 406.482 4.657 0 1 HJAF O=C(O)CCCCCCCCc1cn(Cc2ccc(C(=O)c3ccccc3)cc2)nn1 15937304 XILWGODUOJQFEK-UHFFFAOYSA-N 419.525 4.915 0 3 HJAF COc1ccc([C@H]2C=CCN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 17991404 QCZPYHKLKNCXSP-HSZRJFAPSA-N 410.533 4.822 0 3 HJAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN1CCN(c3ccc(Cl)cc3)CC1)O2 13651325 BPUJZMNETXTOAI-XMMPIXPASA-N 414.977 4.877 0 1 HJAF COc1ccc(-n2c(S)nnc2-c2sc(SC)c3c2CCCC3=O)cc1 28367579 ASMVQLZPDIAZMU-UHFFFAOYSA-N 403.554 4.534 0 1 HJAF c1ccc(Cn2cncc2CCNCC23CC(c4ccccc42)c2ccccc23)cc1 29475275 OCXIJXCIYJPRSO-UHFFFAOYSA-N 405.545 4.899 0 1 HJAF COc1ccc(NC(=O)Nc2cccc(F)c2)cc1-c1c(Br)cnn1C 35827140 HBIPIGQKQYCXGR-UHFFFAOYSA-N 419.254 4.641 0 1 HJAF Cc1cccc(C(=O)Nc2ccnc(N3CCC(N(C)Cc4ccccc4)CC3)c2)c1 45189731 WBJPILUBAAHXSD-UHFFFAOYSA-N 414.553 4.743 0 1 HJAF O=C(CSc1ccc(Br)cc1)Nc1c(C(=O)O)oc2ccccc12 59255452 AQFCQJXZZGLIKP-UHFFFAOYSA-N 406.257 4.624 0 1 HJAF CC1=Nc2ccc(Cl)cc2[C@](O)(c2ccc(F)cc2)N1CCN1CCCCC1 72123530 YWBGXQZGUXLDBR-JOCHJYFZSA-N 401.913 4.524 0 1 HJAF COc1cc(-c2ccc(N[C@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 72175312 BXEVGYDNXQMVEH-MRXNPFEDSA-N 403.461 4.959 0 1 HJAF OC1=NC(=S)S/C1=C\c1c(-c2ccccc2)nc2sc(C(F)(F)F)nn12 73315084 DSOFWWFBLBOWCI-TWGQIWQCSA-N 412.443 4.806 0 1 HJAF CCc1c(O)nc(SCc2ccc(OC)cc2)nc1C(=O)c1cc(F)cc(F)c1 96940100 UNHINOVODFENJG-UHFFFAOYSA-N 416.449 4.555 0 1 HJAF CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2)c2ccco2)OC1 103215308 ZCCJDYVLRMGINO-KRWDZBQOSA-N 414.778 4.820 0 1 HJAF Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccnc4)ccc3ncc21 114862655 NUYGZSQAEOMHNJ-UHFFFAOYSA-N 420.394 4.958 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169713520 GZGRNURZGJTHEM-HVVYPDPHSA-N 402.623 4.725 0 1 HJAF CN(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253636128 OKVPDEXTEJGPIM-QGCSJKOWSA-N 406.570 4.563 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl 587062174 VEPFFUSWQAAIFL-HWPZZCPQSA-N 409.704 4.995 0 1 HJAF C[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130949 ZRTLWWGJTHBMEY-UWORMDEDSA-N 404.755 4.621 0 1 HJAF C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@H]2O 587215876 PFHFMHJAVNAZPF-DPOVLWAXSA-N 415.577 4.847 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 587230156 AFZHXEAZBXGZFK-UHFFFAOYSA-N 408.408 4.730 0 1 HJAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347983 CHWQADVNROWLFU-GBXCKJPGSA-N 422.408 4.722 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361510 ZBPVXFDJUQQFFP-VWNXMTODSA-N 406.409 4.577 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Br)s1)O2 587408285 ALQWEQNZHVLSAI-NSHDSACASA-N 417.122 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)CC2=O 587474948 IMZNLKQDDZSTSX-NZQKXSOJSA-N 423.509 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2ccccc21 587485878 KLMDULYCZVDTOB-BVAGGSTKSA-N 414.457 4.908 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(Cl)c1 587545321 ORUYLTQEZOYVTR-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1Cl 587547484 SYCJOGVUASPJJS-VGSWGCGISA-N 411.841 4.513 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccncc2)s1 587613439 OUWGJIRYRXCAOI-GHTZIAJQSA-N 402.431 4.614 0 1 HJAF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627537 BBMXEADAPLBNHM-UHFFFAOYSA-N 416.277 4.623 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587764623 ALVCKIBXCZDZNS-JQCXNVTFSA-N 415.350 4.612 0 1 HJAF Cc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587797684 RPJFQLOSDRMZGK-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC2CCOCC2)N1 587833619 GTRBWOCYSOSKSD-ASSNKEHSSA-N 420.322 4.770 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1OC 587864519 LFZMZZCIIUOHDN-UHFFFAOYSA-N 420.387 4.695 0 1 HJAF COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1OCC=C(C)C 685935459 WXYFFRZGPDZASV-UEUXDIAVSA-N 424.493 4.844 0 1 HJAF biogenic,in-vitro Fc1ccc([C@]2(c3ncc[nH]3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962642105 NNQBZFLOBREBCS-SHQCIBLASA-N 424.523 4.588 0 1 HJAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](F)C1 1772603199 FWLFRXVPNVBXGR-AWEZNQCLSA-N 405.351 4.625 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)n3c2CCO[C@H](CF)C3)ccn1 1772620052 YTNOXBAICPFPDC-OAHLLOKOSA-N 423.385 4.989 0 1 HJAF CC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(F)c3C(=O)O)cc2)n1CCO 1857608988 OQGJWETVTYCEBZ-UHFFFAOYSA-N 424.516 4.754 0 1 HJAF C=CC(=O)NC1(COc2cccc3[nH]c(-c4n[nH]c5cc(C(F)F)ccc45)cc23)CC1 1911580975 WIRPZTWYUNGGCT-UHFFFAOYSA-N 422.435 4.862 0 1 HJAF CC(=CCO)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](OC(=O)CCC(=O)O)C[C@]12C 2356442474 DHBPVKBZOWIHTC-DBYOASNMSA-N 406.563 4.891 0 1 HJAF COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C)c(F)c4)C3)n2)cc1 201454184 MXCCZLGAKIXYIS-MRXNPFEDSA-N 410.449 4.604 0 3 HJAF COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2)c1 775816 QPUFSDIYWJXPDN-UHFFFAOYSA-N 408.498 4.629 0 1 HJAF CC(C)(C)OC(=O)N1CCC[C@H]1CSC[C@@H]1CCCN1C(=O)OC(C)(C)C 5950410 KNMANBJHTYNPFV-HOTGVXAUSA-N 400.585 4.519 0 1 HJAF CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](CC)c1-c1ccccc1 13801273 UQMYCFFQMAFMLS-UHFFFAOYSA-N 400.564 4.856 0 1 HJAF COc1ccc(OC(F)(F)F)cc1[C@H]1CO[C@]2(CCCN[C@H]2c2ccccc2)C1 13818512 GLCIVEUJSREFOQ-TYCQWZJGSA-N 407.432 4.961 0 1 HJAF COc1cccc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1OC 19320056 UGEUDCCVECRBFX-XRODADMRSA-N 403.526 4.651 0 1 HJAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(OCc3ccc(F)cc3)cc2Cl)O1 29410429 BMVBROIFZTXUMR-XEVLESSRSA-N 411.256 4.791 0 1 HJAF CC(C)Oc1cc(O[C@@H](C)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 38156636 HGGYPMJLRJNOMY-INIZCTEOSA-N 420.465 4.959 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ncccc2[nH]1)C(F)(F)F 64416801 LYFIFVUTEYRUOT-HXUWFJFHSA-N 410.411 4.914 0 1 HJAF CC(C)(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCN1CCCCC1 82178715 AAZNARVOWQSZOM-UHFFFAOYSA-N 406.578 4.513 0 1 HJAF O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(Cc2ccccc2)c1 96938314 VFTMKCVNRCUDKC-UHFFFAOYSA-N 410.267 4.990 0 1 HJAF Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl 149942868 QNWQLJBICCQPMP-UHFFFAOYSA-N 419.356 4.622 0 1 HJAF C[C@H]1/C=C\CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C\CC(=O)N[C@H]1c1ccccc1 169356405 NRHNQHSEKZNYCZ-RJVGGKGWSA-N 402.538 4.880 0 1 HJAF CC/C=C(/C)C(=O)O[C@@H](C)[C@@H](OC(=O)/C(C)=C\CC)c1cc(OC)c2c(c1)OCO2 238747251 VNDVELGATHSJOM-PGWRFIBKSA-N 418.486 4.653 0 1 HJAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)cc(Cl)cc2[nH]1 587001377 YLLJCCJKKDHDAI-UHFFFAOYSA-N 409.598 4.597 0 1 HJAF CCc1ccc(-c2nc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cs2)cc1 587016532 XRNIAMRBMRYXSX-UHFFFAOYSA-N 415.522 4.671 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587040709 ANPQPCZDCDWSID-QGZVFWFLSA-N 401.919 4.811 0 1 HJAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@@H](C)n2ncnc2N1C 587098281 WSGWYLVNBCKBTD-OAHLLOKOSA-N 407.477 4.788 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587150226 BJEQGVLVGFYVPQ-MNOVXSKESA-N 407.214 4.661 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c3c2)cc1 587164717 ZMGCNHJOLBFPPC-QFIPXVFZSA-N 419.456 4.932 0 1 HJAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(Cl)c2[nH]1 587168173 UKOBJGUFPXMLTC-UHFFFAOYSA-N 407.879 4.885 0 1 HJAF COc1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)nc2cc1OC 587526495 PTPLKPYCSLDMMH-HXUWFJFHSA-N 405.450 4.543 0 1 HJAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587581500 LOYJIEBJRKTDLG-RDGATRHJSA-N 412.445 4.763 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587601816 FUMSQNMGUVXFME-DHLKQENFSA-N 418.445 4.731 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccsc1Br 587613597 OBIQAUFKXHQNCJ-YOEHRIQHSA-N 403.253 4.919 0 1 HJAF COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587627798 AWPGJUJPTZQRME-UHFFFAOYSA-N 410.626 4.746 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 587652089 VXPAZCOXXFNYOU-UHFFFAOYSA-N 402.763 4.515 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12 587746114 LJEAITWPBUJKFT-VERVWZFWSA-N 409.302 4.977 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746784 OAMNTFHSRUFGQG-FIKIJFGZSA-N 414.322 4.655 0 1 HJAF Cc1cccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587762548 FWTLGDOSNMSDIO-LHSJRXKWSA-N 414.322 4.880 0 1 HJAF Cc1ccn2c(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nc2c1 587775628 SKQNEFVEKJZUNH-YUNKPMOVSA-N 402.311 4.650 0 1 HJAF Cc1nc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)no1 587790498 CHXYVDOZHZHIGM-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587792047 OBRXNDMEJHFZEG-XTZNXHDOSA-N 417.278 4.700 0 1 HJAF Cc1cccc([C@]2(c3cnc[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587794232 UIHCQGRIYACDDF-LRTDBIEQSA-N 414.322 4.754 0 1 HJAF CC(C)=CCCC(C)=CCOc1ccc(C(=O)[C@H](O)Cc2ccc(O)cc2)c(O)c1 2356454742 VYLOLEWQBDGYSZ-XMMPIXPASA-N 410.510 4.956 0 1 HJAF CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO 13656819 BJINHEAAANHNQG-HFMPRLQTSA-N 407.595 4.641 0 3 HJAF O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1F 1658364 CDCLFKQUHDVWBY-UHFFFAOYSA-N 413.854 4.765 0 1 HJAF Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1 1905572 YTMKARSYSJNMII-UHFFFAOYSA-N 400.482 4.821 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc(OCC)c1 4055527 GLBDKMVDGQYKQZ-CTNGQTDRSA-N 400.906 4.747 0 1 HJAF O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4208096 RAGVNJAZKKKNJV-GMAHTHKFSA-N 420.896 4.627 0 1 HJAF C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 6525476 AXOHLJFITRSTNR-KXBFYZLASA-N 412.530 4.773 0 1 HJAF CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 9212352 QMBJSIBWORFWQT-LYVQAJBDSA-N 404.934 4.752 0 1 HJAF c1ccc(C(CCc2nc(CCNCCc3ccncc3)c[nH]2)c2ccccc2)cc1 13530339 FIEKJLNIAUNVST-UHFFFAOYSA-N 410.565 4.944 0 1 HJAF CCc1nc2c(n1[C@@H](CC)C1CC1)C(=O)N(C)CN2c1ccc(OC)cc1Cl 13582837 KIWPVSULSDESLB-INIZCTEOSA-N 402.926 4.650 0 1 HJAF COc1ccc([C@@H]2C=CCN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 18069130 ZFPGBMOEFYDQRT-CYFREDJKSA-N 410.533 4.821 0 1 HJAF O=C(NC1CCN(Cc2ccccc2Br)CC1)c1cccc2ccccc12 28821345 RIOUUOXCTMCIPZ-UHFFFAOYSA-N 423.354 4.997 0 1 HJAF O[C@](CSCC(F)(F)F)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954275 TZKLXLMADUUNPP-SNVBAGLBSA-N 413.170 4.915 0 1 HJAF COc1cc(-c2nc(CN3CCC(Cc4ccccc4)CC3)co2)cc(OC)c1OC 72101261 GWRRYIBXODICPJ-UHFFFAOYSA-N 422.525 4.822 0 1 HJAF c1csc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)c1 82190321 OMMIQKVBOOLGJD-UHFFFAOYSA-N 424.599 4.714 0 1 HJAF CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(OC)cc2)[nH]1 96906263 GKNBPJVHIYHNJP-UHFFFAOYSA-N 400.500 4.890 0 1 HJAF COc1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O 145611240 FXAJQVRCKWLLML-UHFFFAOYSA-N 403.360 4.921 0 1 HJAF CC(C)(C)OC(=O)Nc1nc2ccc(C(=O)Nc3ccnc(Cl)c3)cc2s1 169303259 LFKRBBAAYYDQBG-UHFFFAOYSA-N 404.879 4.944 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169370514 GZGRNURZGJTHEM-LWDIIJGKSA-N 402.623 4.725 0 1 HJAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2 169372685 IIVLONMULFPENV-UHCVVMIDSA-N 414.549 4.991 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccc5ccccc45)ncc23)ccn1 205444551 FNSLWMLVMLKKBC-UHFFFAOYSA-N 408.465 4.803 0 1 HJAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 299875780 DMDNPELBRRZIGL-CMCXCUNFSA-N 418.585 4.853 0 1 HJAF CC(C)Oc1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586960851 QFVZQNQUIJSJOT-RUZDIDTESA-N 421.360 4.853 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586971972 CKCLBUBSIGUFBV-MRXNPFEDSA-N 411.424 4.831 0 1 HJAF CCOC(=O)Cc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989980 SWZSMJNKUMGHBZ-UHFFFAOYSA-N 409.441 4.924 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587013367 MNNPZVPQBPZCOS-UHFFFAOYSA-N 405.243 5.002 0 1 HJAF COC(=O)c1cc2nc(CCc3scnc3C)[nH]c2c(F)c1Nc1ccccc1 587027003 LSFDOWKIDXIPAR-UHFFFAOYSA-N 410.474 4.782 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1cccc(Cl)c1 587071576 OJHZPVVLJQTVPK-SFHVURJKSA-N 415.921 4.560 0 1 HJAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587194449 TXVMOZRBGLFSKB-LJQANCHMSA-N 424.545 4.659 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1 587330976 GQIWOHWHUOKTBE-AUSIDOKSSA-N 412.363 4.846 0 1 HJAF COc1ccc2c(c1)OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356101 IBZQUOSWPTWCQA-ZCYQVOJMSA-N 420.436 4.967 0 1 HJAF COc1cc2c3c(c1)OC(Cc1ccccc1F)(Cc1ccccc1F)[C@@H](C2)C3=O 587427745 USGSFRWPLWCYNH-IBGZPJMESA-N 406.428 4.945 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(C)o1)[C@@H](C2)C3=O 587430454 FYVRLGVAJCOPDY-BVZFJXPGSA-N 412.445 4.938 0 1 HJAF CCCN1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587513346 JFYMJEFQQITDBE-VWLOTQADSA-N 404.554 4.804 0 1 HJAF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CO)ccc21 587529212 LNUYUQBGBCUYHK-HHHXNRCGSA-N 410.469 4.511 0 1 HJAF Nc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587614735 SZOCPKBWFYRDQB-ZJSXRUAMSA-N 415.470 4.941 0 1 HJAF Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587658521 NWRSXNUVTDESNA-KRWDZBQOSA-N 416.452 4.927 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O 587691634 HGUMDFPQOCRZLP-PWJLMRLQSA-N 400.675 4.579 0 1 HJAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587692152 AAFKSCXRRMBAQR-QVMDTKBZSA-N 424.697 4.575 0 1 HJAF CCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587717863 GVUSXQCZNWCZMH-BJOHPYRUSA-N 420.248 4.837 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)cc2F)N1 587720116 RSOPFRLPFJNJGZ-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2F)N1 587725151 BNOQDQOMVJRVTO-NSPYISDASA-N 409.274 4.506 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746258 ZMJLOFVZBCPLJX-QKKBWIMNSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnc2)N1 587757941 WGICVBVXBAHQHI-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587792557 OUHLOQHVCMYAEK-FVINQWEUSA-N 423.326 4.508 0 1 HJAF COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809541 UFNMXYJJAUZETH-FKIZINRSSA-N 408.311 4.598 0 1 HJAF COc1ccc2c(c1)[C@@](c1ccccc1)([C@@H](C)C(=O)C(F)(F)F)N(C(C)C)CC2 962095445 YTCSMNANXOJXSW-AOMKIAJQSA-N 405.460 4.973 0 1 HJAF CC(C)N1CCc2nc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)sc2C1 962713377 RLJBBFHSMFOEPL-VFNWGFHPSA-N 417.619 4.502 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]3(c4c(F)cccc4C[C@H]4CCCN43)[C@H]2C1 963107149 KJYWFNMVWFYTAC-UAKAABGRSA-N 400.538 4.709 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc3cc(Cl)c(Cl)cc3[nH]2)N1 963216695 AFDVTEYOOKLJAE-PMACEKPBSA-N 412.276 4.711 0 1 HJAF CCCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 2356456949 XNLPJXSZRVLTGM-MELADBBJSA-N 402.487 4.925 0 1 HJAF Cc1cccc(-c2nc(CN3CCC[C@@H](C(=O)NC4CCC(C)CC4)C3)c(C)o2)c1 4034723 YUHTWXOGESTTCJ-PDRFFQIWSA-N 409.574 4.865 0 3 HJAF COc1ccc(COc2cc3c(cc2OC)C(C(=O)c2ccccc2)=NCC3)cc1 27556641 DRULGAXBSLNKHR-UHFFFAOYSA-N 401.462 4.511 0 1 HJAF CCCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1 28524168 IMBYWVNDPHXGQH-UHFFFAOYSA-N 403.482 4.886 0 1 HJAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCCc2ccccc2)O1 29408070 CXWIRFKDKJUFDY-NGHLMZTLSA-N 407.293 4.695 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3cccc(C)c23)C(F)(F)F)c(C)c1 35997718 OWWJZAKLVDXCMD-SFHVURJKSA-N 424.488 4.853 0 1 HJAF C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 40379620 RZSGYLLADYGHLX-MAUKXSAKSA-N 407.341 4.542 0 1 HJAF O=c1c(CN[C@H](CO)c2ccccc2)coc2cccc(OCC3CCCCC3)c12 53242844 FDBKDAIOMKCREN-OAQYLSRUSA-N 407.510 4.575 0 1 HJAF Cc1ccc(C)c(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1 64549304 CEGIBPCCIZOPHK-UHFFFAOYSA-N 421.610 4.850 0 1 HJAF CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82179979 LDBPIOVIFQPCGD-NRFANRHFSA-N 420.605 4.554 0 1 HJAF CCCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@@H]1CCCO1 82195829 ZBROWCSJZIVRKM-STQMWFEESA-N 413.996 4.791 0 1 HJAF CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(F)c2)c1Br 96933266 CQHPHFZGLDFIFD-UHFFFAOYSA-N 421.060 4.531 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1 206590836 IUYHVBCBSMLVEA-UHFFFAOYSA-N 414.490 4.659 0 1 HJAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncc(C(F)(F)F)cn3)c2F)cn1 224562323 JVRRTPGAFAHPJO-UHFFFAOYSA-N 405.355 4.734 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1 586921104 CLNYUIGHIUJLOP-UHFFFAOYSA-N 418.305 4.906 0 1 HJAF Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F 586962221 VZVGTJSHZTYDEB-JHVJFLLYSA-N 413.518 4.705 0 1 HJAF COc1cc(Br)c([C@@H](N)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC 586976486 UYBPIEKMCRVUIE-GOSISDBHSA-N 418.335 4.688 0 1 HJAF Cc1onc(-c2nc3nccc(Br)c3[nH]2)c1COc1ccc(Cl)cc1 587075923 MQEVDCBMHQLDOB-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(OC)nc4[nH]3)c(Cl)cc12 587078617 XLZJXJZQKNIFSG-NSHDSACASA-N 413.861 4.819 0 1 HJAF COc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(I)c1 587180623 UTHAUWJPEODMSO-UHFFFAOYSA-N 418.156 4.862 0 1 HJAF CCCOc1cc2[nH]c(C(=O)Nc3ccccc3CC)nc2cc1Br 587240952 MCTKCAWJKAFYDZ-UHFFFAOYSA-N 402.292 4.929 0 1 HJAF CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCC1 587346659 JXSSIINWFAXFIZ-OFNKIYASSA-N 412.457 4.772 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3ccc(Br)cc31)O2 587373349 UICJSFNJIMPECC-FQEVSTJZSA-N 402.288 4.762 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N4Cc5ccccc5C4=N)c1)[C@@H](C2)C3=O 587441335 FSYSLPRGLZQXGD-HFZDXXHNSA-N 410.473 4.704 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Cl)c(F)c1)CC2=O 587466371 LCTQBLBLVPUCAC-OAQYLSRUSA-N 406.837 4.863 0 1 HJAF CCOC(=O)[C@@]1(C[C@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587536861 XOPQPYLMEPIWAE-BVAGGSTKSA-N 420.505 4.537 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Cl 587557811 OQBXCHKHOHILNA-GHTZIAJQSA-N 400.789 4.896 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccnc2)ccc1O 587586195 JGGWSQCDUDESDT-DHLKQENFSA-N 411.413 4.863 0 1 HJAF COc1ccccc1C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599700 HKPHKPLRKFQJAG-DHLKQENFSA-N 404.462 5.000 0 1 HJAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587632518 YCVSUXQJUNTOHZ-LLVKDONJSA-N 410.873 4.862 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)CC(F)(F)F)CC2)N1 587709006 HDVOSZKRFDQNNG-BLQFLSLASA-N 423.292 4.754 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587735757 UTTKILUECMVVIL-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF CCCCOc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Br 587787343 UUQPFKLYILCQHC-UHFFFAOYSA-N 421.291 4.894 0 1 HJAF Cc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587796151 PKLQEPZFMZIFOA-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587828010 NGYYQVLKDWGSJJ-SZNDQCEHSA-N 420.322 4.848 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1C 587862723 WRKMXKNBLQEHHR-CQSZACIVSA-N 404.388 4.994 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc(C)c4[nH]1)(C3)C2 587951202 YCLNJNAPVQYATJ-LWYUSKRHSA-N 403.320 4.787 0 1 HJAF COc1ccc2c(c1OC)[C@@]1(c3ccccc3CCc3cc(O)ccc31)N(C)[C@@H](C)C2 962569088 MEJAYYKTGSOIIV-SOKVYYICSA-N 415.533 4.676 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1cccc(F)c1)(c1ncccc1C)N(C)[C@@H](C)C2 962628346 LUWFZBBPNOZNAV-GKVSMKOHSA-N 406.501 4.715 0 1 HJAF C[C@@]1(Cc2nc(-c3ccccc3)no2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713218 QOSIXJGJEJVRHW-UZUQRXQVSA-N 409.530 4.697 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(F)cc3)(c3cncc4ccccc34)c3cccc1c32 963032005 PGNFLYDZUHOUEQ-DNOBIOAJSA-N 423.491 4.719 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(CCCC(=O)O)c1ccccc1F 963289011 HNSXDKFDQOCSJY-FQEVSTJZSA-N 406.295 4.575 0 1 HJAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2cccc3ccccc23)cc1 1772603996 USLQQRGHCAGVTK-UHFFFAOYSA-N 420.538 4.603 0 1 HJAF CC1=C[C@H](CN2C(=O)C(C)=C(C)C2=O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356527095 WDKKSTLUZNHEID-PWRODBHTSA-N 419.569 4.974 0 1 HJAF COC(=O)CCC(=O)OC[C@]12CC[C@H](C)[C@@](C)(CCC(C)=CCO)[C@H]1CCC=C2C 2356716255 IDWQXZUVIQTROK-XBHGQMTASA-N 420.590 4.981 0 1 HJAF CC=C(C)[C@@H]1C(CO)=C[C@@H]2[C@H](O)[C@H](C)CC[C@H]2[C@@]1(C)C=CC=CC=CC=CC(=O)O 2356730441 HQBUFDHCDKVRME-NVKPIALMSA-N 412.570 4.840 0 1 HJAF COc1cc2nc(NC3CCCCC3)n3nc(-c4ccccc4)nc3c2cc1OC 6805503 SHBXLOOVIAHYPV-UHFFFAOYSA-N 403.486 4.706 0 1 HJAF CCCOC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473435 PICOWOXEXWMNKL-OAQYLSRUSA-N 412.438 4.559 0 1 HJAF COC(=O)C(C)(C)CCCOc1ccc(C)c(OCCCC(C)(C)C(=O)OC)c1 25979979 AGMXSFYNGVCTIB-UHFFFAOYSA-N 408.535 4.711 0 1 HJAF O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SCCO 28382518 MZLVNQGKVBFGDX-UHFFFAOYSA-N 415.820 4.657 0 1 HJAF COc1cc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(OC)c1OC 28567725 OHIQLHIGCHYEIT-UHFFFAOYSA-N 403.438 4.752 0 1 HJAF COC(=O)c1cccc(-c2cnc([C@H](O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135932 JMOYVFIGVDVEHK-JOCHJYFZSA-N 414.461 4.856 0 1 HJAF CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)cc3)oc2C)c1)C(=O)O 34717680 VKXXMTBEMZTIPR-QFIPXVFZSA-N 422.456 4.824 0 1 HJAF CC(=O)c1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1 45301250 SGXMEYFBICPHKA-UHFFFAOYSA-N 400.438 4.552 0 1 HJAF NCc1sccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66100979 RDECLHUZVIIRRM-FQEVSTJZSA-N 403.555 4.558 0 1 HJAF COc1ccc(Oc2c(Br)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66167225 YHHIHIHYYOQBLJ-UHFFFAOYSA-N 415.287 4.919 0 1 HJAF CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)cc3)ccc2C[C@@H]1O 72175484 IIVDJXGPBLGBRO-QHCPKHFHSA-N 404.462 4.559 0 1 HJAF CN1CCC[C@H]1COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82075128 KBFDKBURMCTMDJ-ZDUSSCGKSA-N 422.325 4.630 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1 95911928 NEMWYOKGHGSVSC-UQTPLYSFSA-N 415.662 4.563 0 1 HJAF biogenic,in-vitro COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@](c2ccsc2)(Cc2ccccc21)O3 102888043 IXXBUDDQZMBLOG-NFBKMPQASA-N 404.443 4.771 0 1 HJAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 103291313 ZHVABRBUUUPYPE-UHFFFAOYSA-N 415.415 4.631 0 1 HJAF COc1cc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl 202050052 KSNHKWDZFAUJQW-UHFFFAOYSA-N 415.906 4.664 0 1 HJAF COc1cc(/C=C/c2cc(N3CCCCC3)c3ccccc3[n+]2C)cc(OC)c1O 299844756 YCULCHPPKAKCNR-UHFFFAOYSA-O 405.518 4.548 0 1 HJAF FC(F)(F)c1cnc2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586977669 OVOHFRKEPSBQPP-UHFFFAOYSA-N 406.589 4.972 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc1-2 587033526 WOQYZIJSJGGUIT-UHFFFAOYSA-N 409.824 4.985 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587233186 JZRBXODOZWDVJE-TZMCWYRMSA-N 407.898 4.554 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 587335092 NPLXRRWXAHBLMT-ZJSXRUAMSA-N 418.399 4.696 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343944 AFXQMGWIHSIREU-LEEZEASISA-N 414.473 4.874 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2 587407360 HJSKLSUNWGDRKO-LMKMVOKYSA-N 421.493 4.800 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587422253 XTTRNCRQYWDZLV-RBZFPXEDSA-N 406.265 4.537 0 1 HJAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncc1Br 587656272 FBZSNGMXKBXGMR-UHFFFAOYSA-N 410.246 4.658 0 1 HJAF Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Cl 587657542 XDRKBHDDUWTPIY-UHFFFAOYSA-N 422.843 4.884 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 587666459 DSVHPTGZIJABAM-UHFFFAOYSA-N 421.447 4.883 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)c2)N1 587731862 LMMBXMQAAOPINY-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCN(Cc3ccccc3)C2)N1 587758174 BTRAFZKDSRCSHU-QRFQSNJMSA-N 417.366 4.860 0 1 HJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587782815 QJAILKYDRQPXEG-UHFFFAOYSA-N 414.234 4.811 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C(F)(F)F)cc1C 587868831 UKSAEKSVOJASGH-UHFFFAOYSA-N 402.298 4.684 0 1 HJAF CCCSc1nc(N2CCOCC2)c2nc(Nc3ccccc3Cl)sc2n1 1772626981 WSSJLQFLEDOBPJ-UHFFFAOYSA-N 421.979 4.822 0 1 HJAF CC(C)CC[C@@H]1C[C@@H]2CC[C@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)[N@]4C[C@]34O)N[C@H]2C1 2356767115 PNYWNZNMNZVBPJ-WLHNLRTASA-N 424.629 4.578 0 1 HJAF Cc1cc(C)c2c(=O)n3c(nc2c1)[C@H](CC(C)C)NC(=O)c1cc2ccccc2cc1-3 61921310 JKPVHKQRJAYYRL-NRFANRHFSA-N 411.505 4.986 0 3 HJAF CCC[C@H](CC(=O)O)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 3988148 QFEXPKRHMFCDGL-HXUWFJFHSA-N 407.514 4.832 0 1 HJAF CCOc1ccc(CCNC(=O)CCCc2cc(-c3ccc(OCC)cc3)on2)cc1 5028534 MXGXEVFJJYJDKN-UHFFFAOYSA-N 422.525 4.821 0 1 HJAF Cc1cnc2c(C(=O)c3cccs3)cnn2c1-c1cccc(NC(=O)NC(C)C)c1 28819322 VWXGJDCYHRAJBH-UHFFFAOYSA-N 419.510 4.527 0 1 HJAF Cc1ccccc1C(=O)c1[nH]c(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)c1N 45338993 IJXAENNGOPNGFJ-UHFFFAOYSA-N 411.461 4.695 0 1 HJAF CN(C)C12C[C@@H](NCCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 64372990 LLSXDPCIBNMKAU-OXJUXINFSA-N 417.641 4.722 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(O[C@@H](C)CCc3ccccc3)ccc21 73220575 OPSXJPSXEZMFOW-SFHVURJKSA-N 405.538 4.823 0 1 HJAF Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C2=NC(=O)CS2)cc1 73296494 UIDCZJGQYLGZEO-QGZVFWFLSA-N 414.328 4.538 0 1 HJAF COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@H]1NC1CCC1 96170634 PDSCEQHAJQJUHG-SWLSCSKDSA-N 417.493 4.556 0 1 HJAF C1=C(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CCNC1 117685878 DHQTVQLYTCGZPM-UHFFFAOYSA-N 411.513 4.610 0 1 HJAF CO[C@@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307420 DLRLNTSNPGQSJE-IBGZPJMESA-N 421.522 4.818 0 1 HJAF COc1cccc(Nc2ncc3c(n2)-c2c(nn(-c4cccnc4)c2C(C)C)CC3)c1 169702221 WNMQWNZVHSIJSO-UHFFFAOYSA-N 412.497 4.699 0 1 HJAF CCCSc1c(F)c(F)c(S(N)(=O)=O)c(NC2CCCCCCC2)c1F 209017344 KXHWJJLARFHTQI-UHFFFAOYSA-N 410.527 4.778 0 1 HJAF O=C(O)c1ccccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)=C[C@H]2C1 221309691 BPWHXOFCSIQNNP-LSDHHAIUSA-N 416.399 4.971 0 1 HJAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(I)cnc2[nH]1 587062231 OOCGRNOEGRZQSL-LBPRGKRZSA-N 413.646 4.746 0 1 HJAF Cc1cc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145391 VNIIWIPHGIYJHB-FQEVSTJZSA-N 404.401 4.766 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(F)cc(F)c32)[C@H]1c1ccc(F)cc1 587338744 VGIROZCLENDXAS-REWPJTCUSA-N 412.363 4.846 0 1 HJAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345301 ISSAIOQDQMHDJM-URXFXBBRSA-N 406.457 4.790 0 1 HJAF COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)ccc1F 587382145 OPFUDWBOVRZAPS-JOCHJYFZSA-N 405.425 4.876 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587420265 HJNKVUBLTXGXRC-QKKBWIMNSA-N 421.276 4.900 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(F)(F)F)nn4C)s1)[C@@H](C2)C3=O 587422657 PQXVTFRKMWKTQO-JEOXALJRSA-N 420.412 4.665 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc3c(c1)CCCC3)CC2=O 587476713 AJIAZDPVWXZKKX-VWLOTQADSA-N 408.494 4.647 0 1 HJAF COCC[C@@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574014 XXQCYYFFGJDRGS-QPPBQGQZSA-N 408.425 4.511 0 1 HJAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC 587592736 JXOKEDYFNSCWRE-OFVILXPXSA-N 420.461 4.681 0 1 HJAF Cc1nc(-c2ccccn2)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587662287 YMJOGRGFHPXCMJ-UHFFFAOYSA-N 423.451 4.661 0 1 HJAF COc1cc(F)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587722712 ZRBIDTCZHJCCDN-APBUJDDRSA-N 412.274 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cncc2Br)N1 587735927 VSYQAVRHMVFXJI-KWKYVRJSSA-N 418.079 4.508 0 1 HJAF Cc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587756760 FJIRQRXEUSTMJM-RNODOKPDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)CC[C@H]2C)N1 587767731 KIXQPCMJZCNLBN-MCFFVMPBSA-N 417.366 4.860 0 1 HJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587784807 JNVLORZABWWCIR-MNOVXSKESA-N 407.214 4.547 0 1 HJAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834448 RIPVYSLYMFOQDE-IBNJYYFUSA-N 420.322 4.554 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 587923942 UCEUOYQNWOSIKD-UHFFFAOYSA-N 414.430 4.747 0 1 HJAF COc1ccc(-c2cc(CNCc3c[nH]c4ccc(Br)cc34)on2)cc1 653721481 LSAIGTRWGFRWHR-UHFFFAOYSA-N 412.287 4.884 0 1 HJAF Cc1cc2c(cc1F)[C@@](c1ccccc1F)(c1ccccc1CN1CCC1)NCC2 962147775 QIRSBXQZOPORBA-SANMLTNESA-N 404.504 4.917 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCCC[C@@H]2c2ccc(Br)cc2)N1 962896053 ITLHBIFXDQTIJX-LMNJBCLMSA-N 418.306 4.740 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CC(=O)Nc2cc(Cl)ccc2OC)N1 962961233 TWLRBDIAZAWXMZ-NPMXOYFQSA-N 411.933 4.998 0 1 HJAF COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(N)c4ccccc4n3)c(C)c12 1772600995 ZVSQPYRKNQJQMJ-UHFFFAOYSA-N 419.506 4.941 0 1 HJAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3Cl)nn12 1772601041 DFRYVJNIRDUHCM-UHFFFAOYSA-N 401.253 4.560 0 1 HJAF O[C@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1 61923659 AUQNPCFBIYVHNH-VJBWXMMDSA-N 414.981 4.738 0 3 HJAF C[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 4177870 SDIQZUPBYGTTRC-WZRBSPASSA-N 416.831 4.804 0 1 HJAF Brc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580893 KSYZESKEFFJHGV-UHFFFAOYSA-N 402.296 4.818 0 1 HJAF O=C(CCCCCN1CCN(c2ccccc2F)CC1)N[C@@H]1CCCc2ccccc21 14976027 GJXLROXNFUKMEK-XMMPIXPASA-N 423.576 4.702 0 1 HJAF Cc1ccc(S(=O)(=O)N(CC2CCCCC2)c2cc(Cl)ccc2CO)cc1 28823148 ZUVKOTROYDETSO-UHFFFAOYSA-N 407.963 4.916 0 1 HJAF Cc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@H](c3cccs3)C2)cc1 40380752 QVXMEQFRTCVWEH-FQEVSTJZSA-N 400.507 4.659 0 1 HJAF COCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1ccc(C(F)(F)F)cc1 66066119 UWTTZNLDWFXXGS-QJOMJCCJSA-N 400.466 4.562 0 1 HJAF CC(C)(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@@H]1CCCO1 82185304 JAGDJFDJKHFKNG-KRWDZBQOSA-N 413.953 4.859 0 1 HJAF CCCc1ccc(-c2csc(N[C@@H](CC(C)C)C(=O)NCCCOC)n2)cc1 82195316 KFWNJGYAHCSNOK-IBGZPJMESA-N 403.592 4.742 0 1 HJAF CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103898900 HCOZCFBITBVGJC-QHCPKHFHSA-N 419.477 4.823 0 1 HJAF CCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113657057 OQBNARLLVQAWES-UHFFFAOYSA-N 410.521 4.756 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@H]1CCCO1 169711124 IDWFBPRPZDTKJU-FZOAFFARSA-N 424.585 4.856 0 1 HJAF CC(C)[C@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O 299835261 XDIVZQNPGJHPQC-DEOSSOPVSA-N 400.478 4.687 0 1 HJAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1cccc2ccccc12 299839064 PPTPKPRASQTIER-SFHVURJKSA-N 404.413 4.894 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(Cl)nccc4[nH]3)cc2cc1Br 586997826 DAVWJIYFHXXQMX-UHFFFAOYSA-N 420.650 4.546 0 1 HJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C=O)cc1 587398290 DIBFVNSJRBYBIK-XMMPIXPASA-N 417.461 4.684 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCC(C(=O)O)CC3)cc1)CC2=O 587473894 CTKUSOAMUJKSAT-RUZDIDTESA-N 423.509 4.526 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(F)c3)CC2)N1 587727101 ALAXSPOTWJYSKB-ZDUSSCGKSA-N 407.302 4.757 0 1 HJAF COCC[C@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728781 FQCFTGYONOKZSZ-RNODOKPDSA-N 410.302 4.736 0 1 HJAF Cc1nn(-c2ccc(F)cc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587732849 KBECZECAIYUPNW-GIPWTMENSA-N 418.285 4.845 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C[C@H]2F)N1 587738615 PLVDORGTCAPGOK-XMDBHEJHSA-N 421.329 4.562 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746313 MJMJMSMBYUSIOI-WIUDPPPLSA-N 414.322 4.655 0 1 HJAF Cc1nccn1-c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587752442 DUUYNAHACVYVGL-ZSEKCTLFSA-N 414.322 4.880 0 1 HJAF Cc1nccn1-c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587753082 HOYKPKPSEACVKV-MPBGBICISA-N 400.295 4.706 0 1 HJAF Cc1ccccc1-c1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O 587938835 CRXIWZMVNXZICL-LJQANCHMSA-N 415.331 4.940 0 1 HJAF O=C(O)CCc1ccc(-c2cccs2)n1NCc1ccccc1Br 587939476 FCSFHHQAKOFXON-UHFFFAOYSA-N 405.317 4.740 0 1 HJAF ClC1=C(Cn2cc(COc3cccc4cccnc34)nn2)CCOc2ccccc21 653773199 OQRYTRLRBIGTHE-UHFFFAOYSA-N 418.884 4.838 0 1 HJAF CCOC(=O)[C@@H](CC)Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 653801363 YITQEDLTQQZNTD-KRWDZBQOSA-N 407.432 4.767 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1cc(Br)c(F)cc1F)N(C)[C@@H](C)C2 962569006 MAHLIQZINFNPJK-APBUJDDRSA-N 412.274 4.710 0 1 HJAF Brc1ccccc1OCc1ccc([C@@H]2NCCc3nc4ccccn4c32)o1 962985500 PIGVHZZSCKPYNU-FQEVSTJZSA-N 424.298 4.504 0 1 HJAF Cc1cc2c(cc1O)[C@](c1ccc(F)c(Cl)c1)(C1CCCCC1)N[C@H](C(=O)O)C2 963487834 DTIZTYRYRGYCBK-NZQKXSOJSA-N 417.908 4.916 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCC(=O)O)c1cccc(Cl)c1Cl 963614072 WCDLOIKMCXLMRE-XUSGNXJCSA-N 424.324 4.653 0 1 HJAF COc1ccc([C@@]2(c3ccccc3F)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636105 PAGWSKUDALFAKB-CPJLOUKISA-N 407.485 4.678 0 1 HJAF O=C(Nc1ccc(C2CN(C(=O)c3ccccc3)C2)cc1)N1Cc2ccc(F)cc2C1 1772602619 PUZDAMWKLYHMCI-UHFFFAOYSA-N 415.468 4.613 0 1 HJAF ClC1=C(CN2CCN(c3ccccn3)CC2)CCc2nc(-c3cccs3)ccc21 1857607363 AVLCYRAWNYAUTK-UHFFFAOYSA-N 422.985 4.923 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214673 MAPXQIJRDUNXME-CWKRKGSWSA-N 416.562 4.519 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214697 SSSPUMHMRBAFST-PMXSJFBMSA-N 424.944 4.913 0 1 HJAF COC1(c2cc(Sc3ccc(N(C)C(C)=O)cc3)cc(F)c2C)CCOCC1 27305268 KHVAMVGYEAHSBE-UHFFFAOYSA-N 403.519 4.920 0 1 HJAF O[C@H](CN[C@H]1CC[C@@H]([C@@H](c2ccccc2)c2ccc(F)cc2)NC1)c1ccc(F)cc1 29056593 LZVBSBWZUPYVCY-SSUZURRFSA-N 422.519 4.541 0 1 HJAF CCC[C@H](O)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29242214 HQNASEHVPXFKAY-NSHDSACASA-N 411.405 4.502 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3cc(CC=C(C)C)c(O)cc3C(=O)[C@H]2O)ccc1O 33831733 YJRGJZBUUOQBFV-RPBOFIJWSA-N 408.494 4.793 0 1 HJAF biogenic,in-vitro O=C(O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3cccc4ccccc34)cc(=O)n21 34024368 FYZLQAHRDKOOHY-NRFANRHFSA-N 413.498 4.991 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1cc(C)ccc1Cl)c1cccs1 35259320 NWZNUUGHFOBCSF-MRXNPFEDSA-N 404.808 4.817 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@](C)(O)[C@@H]1CCCNC1 38152125 GKFMYDYALVUXPQ-AQBNNFRYSA-N 403.651 4.757 0 1 HJAF N[C@H](COCc1ccccc1)c1csc(NC(=O)Nc2ccc(F)c(Cl)c2)n1 44694831 DUYHXVUZFOXOBB-MRXNPFEDSA-N 420.897 4.796 0 1 HJAF in-vitro CC(=O)Nc1cccc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)c1 82067331 HUVSUATWNCZEFJ-UHFFFAOYSA-N 402.376 4.858 0 1 HJAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1)N1CCCCC1 82133301 UPRCGXCVMQNJIW-UHFFFAOYSA-N 404.489 4.563 0 1 HJAF CCCC(=O)N(C)Cc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95559047 JCKBPMOBZJDONK-UHFFFAOYSA-N 411.556 4.877 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C[C@H](O)c1cccc(F)c1O2 96286114 KIZOHGMVJGYGDL-KRWDZBQOSA-N 424.394 4.727 0 1 HJAF CC1=Nc2ncnn2[C@H](c2cccc(Br)c2)/C1=C(\O)OC1CCCCC1 104060230 PKZJFRRGRXUIGG-GROYHEBESA-N 417.307 4.855 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C/CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 169291347 WFKXCGWVYJNIRE-RLKLVRFYSA-N 404.547 4.580 0 1 HJAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCc2ncncc2C1 169710105 GMTKASDZTJJXAZ-UHFFFAOYSA-N 412.415 4.619 0 1 HJAF CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 215286344 AUMCYBWLZBTQLN-QZTJIDSGSA-N 402.531 4.596 0 1 HJAF O=C1O/C(=C\c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21 586907814 XQBODQFHNNYYMC-GHXNOFRVSA-N 420.060 4.756 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(O)c4nc(O)ccc34)nc3ccc(O)c1c23 586988704 WSTUDMDWEKSLFW-UHFFFAOYSA-N 406.397 4.778 0 1 HJAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356245 ZVMXIZIQOLHZLJ-HVVFZDMJSA-N 424.468 4.930 0 1 HJAF COc1cccc(-c2cc([C@@H](C(C)=O)[C@@H]3CCC(=O)N3)nc3c2oc2ccccc23)c1 587363559 QSXMERRRMNIYLG-CVDCTZTESA-N 414.461 4.608 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccs1 587413477 OTENKJHPSQHOLK-GOSISDBHSA-N 409.463 4.573 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1csc(C)n1 587415141 XUVNTMRCUAIRMX-FQEVSTJZSA-N 410.495 4.636 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4ccc(Cl)cc4CCc4cccnc41)[C@@H](C2)C3=O 587424234 YAZYHJODUNJOBO-CYFREDJKSA-N 403.865 4.533 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(=O)n(Cc3ccccc3)c1)CC2=O 587462738 RTKWZBLZYDPWKX-JOCHJYFZSA-N 423.896 4.915 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594727 IDLANHKBXXRNRC-DHLKQENFSA-N 418.445 4.511 0 1 HJAF Cc1ccc(C)c(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c1 587662007 WEIKCWSZWNMZBY-UHFFFAOYSA-N 423.451 4.661 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncc(Br)c2)N1 587682293 LFBZSBHJKPXTID-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587705423 MMPHKCZMAQGGBX-XXFAHNHDSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2N2CCCC2)N1 587715309 CEJQWRHDJRBWBN-ODXCJYRJSA-N 407.302 4.951 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2)N1 587729785 DKRDYGYZIHPXOC-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2F)N1 587736972 COLMXLJRUDLOIZ-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746259 ZMJLOFVZBCPLJX-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795959 JUCZNOCTTSUCFL-SGTLLEGYSA-N 400.332 4.707 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587808232 NTVRMFYKXMTMSS-GBLZOACLSA-N 412.343 4.851 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccccc2)N1 587826856 JOGXUSPGEVUKFX-XCLFUZPHSA-N 406.295 4.621 0 1 HJAF COc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)cc2)c1 653833453 XQKJYZHCSVEHRA-UHFFFAOYSA-N 404.554 4.968 0 1 HJAF Fc1ccc(Nc2ncnc3ccc(-c4cnn(C5CCNCC5)c4)cc23)cc1Cl 653837932 UIVCMCJROZMDFB-UHFFFAOYSA-N 422.895 4.954 0 1 HJAF COC(=O)c1ccc2c(c1)[C@]1(CCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962703463 MLETXTYNUOGJLR-UUOWRZLLSA-N 411.542 4.556 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@@]2(C)NCCc3c2c(C(C)C)nn3C)cc1F 962911049 OFBGVTIMOTYTPT-RUZDIDTESA-N 421.516 4.545 0 1 HJAF CC(C)[C@@]1(c2ccc(Cl)s2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983021 YIEAFELRSABMAA-DIFFPNOSSA-N 406.281 4.832 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)NCCc2cnc3c(OC)cccc3c21 963034096 LKXCBXVTYLGKGI-HFZDXXHNSA-N 418.537 4.530 0 1 HJAF OC[C@@H](c1ccccc1)N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 1772641080 STOGBMWLXSWHAE-SXOMAYOGSA-N 400.566 4.539 0 1 HJAF Cc1cn2c(/C=C3/C(=O)Nc4ccccc43)c(-c3c(C)nc4sccn34)nc2s1 1857582213 LLMSDRGXWMRNCG-NTEUORMPSA-N 417.519 4.882 0 1 HJAF O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2ccccc2c1 1857601519 IQXLISNWIFXQAO-UHFFFAOYSA-N 421.449 4.999 0 1 HJAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2482417 JHWIDFSGXDWESJ-UHFFFAOYSA-N 406.816 4.707 0 1 HJAF CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 3955104 RHVPNYWLAXRVBA-IRXDYDNUSA-N 408.571 4.766 0 1 HJAF CC(C)(C)c1cc(/C=C2\CCN(c3ccccn3)S2(=O)=O)cc(C(C)(C)C)c1O 13558272 BTOBGKHPYNLTMW-GHRIWEEISA-N 414.571 4.963 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153165 RYPMTHMHTXUIIA-LYZOWHQXSA-N 400.607 4.545 0 1 HJAF O=C(O)c1cn(Cc2ccc(-n3ccc4ccccc43)cc2)c2cccc(F)c2c1=O 45373673 VNOIGUMJSZELBB-UHFFFAOYSA-N 412.420 4.831 0 1 HJAF CC1(C)Oc2cc(CNC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 58563929 RRWRCWRSJLFICX-LYXSLKDXSA-N 411.586 4.722 0 1 HJAF CCCCN(CCCC)CCNC(=O)c1csc(-c2ccccc2OCC)n1 82074961 FFMJITVIZPLSHS-UHFFFAOYSA-N 403.592 4.841 0 1 HJAF Cc1cccc(-n2nnc(-c3cc(F)cc(F)c3)c2-c2ccc3nccnc3c2)n1 95585561 QOWRUABKIJJJMA-UHFFFAOYSA-N 400.392 4.526 0 1 HJAF COc1ccc(OC)c(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2cc(OC)ccc2OC)c1 103191817 LBYLUJZFUBILFH-MALXCJKLSA-N 408.498 4.605 0 1 HJAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3CC2)c(Cl)c1)c1ccccn1 169725132 VTIXXVVHQFCGFF-BETUJISGSA-N 407.857 4.720 0 1 HJAF Cc1ccccc1Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3F)nc12 223663296 RQBUKWDSBBDFFT-CQSZACIVSA-N 420.517 4.718 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CCC4=C5CC[C@@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5[C@@H](O)[C@@H]4[C@H]3CN2C1 255218350 HSGAGABEZLYJFX-WFLWSKNHSA-N 413.646 4.627 0 1 HJAF O=Cc1ccc(OCc2occc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586900815 NESFFBBPYWBPNM-UHFFFAOYSA-N 422.750 4.628 0 1 HJAF c1cc2c(cc1-c1nnc(SCc3nc4ccc5c(c4[nH]3)CCCC5)o1)OCO2 586970292 WFDBAAYGDVBJTQ-UHFFFAOYSA-N 406.467 4.513 0 1 HJAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(OC[C@@H]2CO2)cc1)-c1ccccc1C3=O 586991017 KFOAAGSYYPXDBZ-GOSISDBHSA-N 423.468 4.829 0 1 HJAF CCCc1sc(N)nc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587013420 OGPKJKWMKKKHIC-UHFFFAOYSA-N 405.243 5.002 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029123 HZOIBZXUFGUVFQ-UHFFFAOYSA-N 423.885 4.524 0 1 HJAF COC1=C(Br)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587323032 JDZIZNXMDMWHSL-YLJYHZDGSA-N 419.246 4.676 0 1 HJAF Cc1ccc(Cl)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587330563 NSDCQBABUDXEQS-CVDCTZTESA-N 423.827 4.700 0 1 HJAF C[C@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340529 YGNGWRQQTJYSPQ-ISKFKSNPSA-N 423.415 4.817 0 1 HJAF CCOC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587344583 DDNUNFNHGHMXRI-DHLKQENFSA-N 420.436 4.982 0 1 HJAF O=C1c2ccc(O)cc2OC2(c3cccnc3-c3ncccc32)[C@@H]1c1ccc(F)cc1 587344609 HHOKLGIUURFOIC-OAQYLSRUSA-N 410.404 4.604 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 587351250 ZRKUKMLJAOXKCV-YQIFXUADSA-N 417.480 4.785 0 1 HJAF Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409807 WTKYJMPZSXASSK-AREMUKBSSA-N 419.521 4.711 0 1 HJAF COc1ccc(Cl)cc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587500718 NPULCPBPMSEGER-HSZRJFAPSA-N 413.901 4.980 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)s1 587612249 LNKYLOFOBAFLDE-MAUKXSAKSA-N 403.253 4.919 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(-c2ccccc2)s1 587656296 FKVKBNDKBGKFAB-UHFFFAOYSA-N 418.428 4.849 0 1 HJAF O=C([C@@H]1C[C@@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656834 QZUAABPIYLAJGQ-SJLPKXTDSA-N 402.400 4.786 0 1 HJAF COc1nc2ccccc2cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587778980 POWYPJCDXRODOJ-WYRIXSBYSA-N 401.279 4.769 0 1 HJAF COc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC 587925581 DBVQFOUZNVTBBI-UHFFFAOYSA-N 415.209 4.952 0 1 HJAF Cc1ccnc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 653709066 VFSBHFSGOWTUNY-UHFFFAOYSA-N 406.536 4.716 0 1 HJAF CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)N(CC)CC)cc21 653804947 YVARVUREMQGKDQ-UHFFFAOYSA-N 422.573 4.665 0 1 HJAF Cc1c([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)[nH]c2ccccc12 963182785 RVALXIDZNHXIBS-KDOFPFPSSA-N 408.807 4.837 0 1 HJAF CC(C)(C)c1cc(C(=O)Nc2ccc(C(=O)NCCCN)cc2)cc(C(C)(C)C)c1 1772628216 QOBOQUVGFGMMER-UHFFFAOYSA-N 409.574 4.613 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)c(Sc1ccccc1)nn2-c1ccc(C(=O)O)cc1 1772636203 ZGDDULRRLLCPBU-UHFFFAOYSA-N 417.490 4.577 0 1 HJAF COc1cc2oc([C@@H]3[C@H](C)[C@H](O)C(C)(C)[C@H]3O)cc2c2c1CC[C@@H](c1ccccc1)O2 2356283959 IJFJEKNEACFQBH-NDNREINCSA-N 422.521 4.989 0 1 HJAF COc1cc2c(c(OC)c1O)[C@H]1O[C@@H](c3cc(OC)c(OC)c(OC)c3-2)[C@@H](C)[C@@H]1C 2356408529 IHMGYSIQQKTHJB-QFALXMRDSA-N 416.470 4.500 0 1 HJAF C[C@@]12CC[C@@]3(C)C(=O)[C@]1(CC[C@@H]3C1=CC(=O)OC1)CC[C@]1(C)C[C@H](O)CC[C@@]21C 2356703549 JERJZGUDOYHMFI-FCCWPKEOSA-N 400.559 4.593 0 1 HJAF O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCC(N2CCCCC2)CC1 4958527 LVKVMTLXBQFRMT-UHFFFAOYSA-N 411.977 4.858 0 3 HJAF COc1ccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)cc1 5579914 LTTLKYDRFFFUAB-UHFFFAOYSA-N 416.506 4.512 0 1 HJAF CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(NC(C)=O)cc2)n1 13642419 FXTKUHIBLBLQAQ-UHFFFAOYSA-N 418.280 4.981 0 1 HJAF CCN(CC)CCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC 13645684 GZRDCPDZOPJVMI-KTKRTIGZSA-N 415.530 4.612 0 1 HJAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCI)[C@@H]1CCC2=O 13746636 YFNOWJDURKUMMD-CPLUKWAASA-N 424.322 4.813 0 1 HJAF CC[C@@H](c1ccc(O)cc1)[C@H](CCCCn1cc(C(=O)O)c(O)n1)c1ccc(O)cc1 25997193 YLNCDTXYRNAENQ-LEWJYISDSA-N 424.497 4.846 0 1 HJAF Cc1oc(C2CCCCC2)nc1Cc1cc2cc(C[C@@H]3OC(=O)NC3=O)ccc2o1 29322433 NCAKHTZAZFEUOI-FQEVSTJZSA-N 408.454 4.545 0 1 HJAF O=C(O)c1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 34035718 YDQNXFIMUXRGPA-UHFFFAOYSA-N 401.506 4.533 0 1 HJAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccccc2F)c1N 34636202 RNNNKMODTHOTCD-UHFFFAOYSA-N 415.424 4.525 0 1 HJAF O=C(CC(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)Nc1ccc(F)cc1 40424201 PLLLNZXGUXHIHY-UHFFFAOYSA-N 422.391 4.601 0 1 HJAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Oc1ccc(NC(C)=O)cc1 40465250 KNJBSXRBVYTMQP-HNNXBMFYSA-N 408.502 4.533 0 1 HJAF CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1 40564992 ACFQJABFUNOOOS-JPYJTQIMSA-N 423.557 4.846 0 1 HJAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3-c3ccccc3)CC2)nc1 64548623 RSSMVRGDOXURHH-UHFFFAOYSA-N 417.528 4.791 0 1 HJAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179546 IDGAKMLCXFUQED-MRXNPFEDSA-N 404.493 4.728 0 1 HJAF Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ccccc2[C@H]1C 96283022 DXYANPCOKLRSRL-CYBMUJFWSA-N 407.495 4.683 0 1 HJAF C[C@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2Cc2ccccc2)n1)c1ccccc1 142049743 NKICQMJTGBNAOX-PXNSSMCTSA-N 402.498 4.996 0 1 HJAF Cc1c[nH]c2ncnc(N3CCC(C)(C(=O)Nc4cccc(C(C)(C)C)c4)CC3)c12 149379870 UFFGIZGDBJFJBO-UHFFFAOYSA-N 405.546 4.809 0 1 HJAF CC/C1=C(/c2ccccc2)c2ccc(OC[C@@H](O)CO)cc2CCc2ccccc21 169300939 PWNFKFQZMLZBNA-ZIFYCWIVSA-N 400.518 4.886 0 1 HJAF COC1CCC2(CC1)Oc1ccc(-c3cccc(Cl)c3)cc1[C@]21N=C(C)C(N)=N1 169708617 GYYFFSAIGLHSCV-UWFXLKAESA-N 409.917 4.712 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](/C=C/C3=CC(=O)O[C@@H]3O)[C@@](C)(O)CC[C@@H]12 257397771 CNXOWEJEIZUYTD-QKRBLTOUSA-N 402.575 4.754 0 1 HJAF COc1cc(NCCC(N)=O)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 299839240 QXSBEIIZVSEBPB-UHFFFAOYSA-N 419.403 4.650 0 1 HJAF CCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473104946 QMMHYPPKJAWXON-INIZCTEOSA-N 401.923 4.910 0 1 HJAF CSCC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586969479 STZZWFZWKUXNGZ-UHFFFAOYSA-N 409.964 4.658 0 1 HJAF O=C(Nc1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1)c1ccc(Br)cc1 586984447 QFUGYGOWVWCSFJ-UHFFFAOYSA-N 422.282 4.737 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1 587019100 GCAWCBMRSYJDME-UHFFFAOYSA-N 402.373 4.514 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1nn(-c2ccccc2)nc1CC3 587104834 KKNMWIOONNHDKZ-UHFFFAOYSA-N 400.441 4.793 0 1 HJAF O=C(c1ccccc1)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120043 OMELKQIGPMXNAT-UHFFFAOYSA-N 424.426 4.936 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587147623 WCNDBPOSCVFWNI-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF O=C(CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)Nc1cccc(F)c1 587162599 JSDNTABDZWOZTE-UHFFFAOYSA-N 401.747 4.825 0 1 HJAF Cc1cc(Br)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 587196801 XCEQHEFHKPHFSV-ZDUSSCGKSA-N 424.339 4.550 0 1 HJAF COc1cccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587413603 HREKBLGPKGUOMM-SFHVURJKSA-N 405.479 4.669 0 1 HJAF CCCCCc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447778 VEYNMMWLZFWXBU-NLFFAJNJSA-N 408.494 4.936 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(F)cc13)CC2=O 587471135 IXXVWTWPQOBIKC-LJQANCHMSA-N 411.429 4.848 0 1 HJAF Cc1cc(C)n(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587582389 PCNYYPLKVXZMKK-RCZVLFRGSA-N 412.445 4.898 0 1 HJAF COc1ccc2[nH]c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)c2c1 587587173 GCQCCJJUWABDCV-GBXCKJPGSA-N 401.418 4.893 0 1 HJAF CCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604707 VKGOVVQWODLGPY-WIOPSUGQSA-N 418.445 4.677 0 1 HJAF O=C(c1ccccc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656664 IJTOCOHXUDXSHZ-UHFFFAOYSA-N 423.241 4.654 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnc2Br)N1 587678538 DCWSFEYYCIDGFX-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)nc(SC)n1 587863057 BRBTWCPEDIRDDL-UHFFFAOYSA-N 400.813 4.732 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc2c1 587930427 IAIBDXBUHJLGKH-GFCCVEGCSA-N 417.303 4.857 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(Cc3cccc(-c4ccccc4)c3)nc-2[nH]1 587960383 BRBVZBODIYAWMK-UHFFFAOYSA-N 407.477 4.880 0 1 HJAF Cc1ccc(N2CCC3(CC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc23)cc1Cl 962727683 ADYJXMNMMNIGHU-LJQANCHMSA-N 422.878 4.790 0 1 HJAF Cc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1C 962929849 UYKHNWQSGPEMCQ-UKILVPOCSA-N 403.478 4.664 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@](Cc3ccncc3)(c3ccc4ccccc4c3)c3cccc1c32 963028683 PDXRJKZTQBCHLM-SKCUWOTOSA-N 419.528 4.774 0 1 HJAF COc1ccc2c(c1OC)[C@@H](CC1=CCCCC1)N(C(=O)c1ccccc1N)CC2 963155410 GWAPCVMOTZNGEY-OAQYLSRUSA-N 406.526 4.916 0 1 HJAF CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nncn32)C1 1772616942 PPHWHBOEIJYHID-GFCCVEGCSA-N 412.946 4.899 0 1 HJAF Cc1cccc(C)c1NC(=O)[C@H](C1CC1)n1c(=O)c(-c2ccco2)nc2ccccc21 95599234 DFXPYRSTVGLWNH-QHCPKHFHSA-N 413.477 4.863 0 3 HJAF CSCC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21 95600109 IFBBTGBLNIVZHU-LJQANCHMSA-N 416.506 4.875 0 3 HJAF O=C(Nc1ccc(Br)cc1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205708057 YMHFHDLLQFJTDX-JNAXZKDPSA-N 421.335 4.711 0 3 HJAF CCOc1cc(Br)c([C@@H](C)NC(=O)c2cccc(OC)c2)cc1OCC 668057 IPXGOPWZGKLOMJ-CYBMUJFWSA-N 422.319 4.746 0 1 HJAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(-n3ccnc3)c2)c1F 13474021 ZPNZRLKRYUKJLI-UHFFFAOYSA-N 421.407 4.723 0 1 HJAF COc1ccc2cnc(Nc3ccc(N4CC[C@@H](N)C4)cc3)nc2c1C1CCCC1 14945398 WTNLHNBOLGKCHQ-GOSISDBHSA-N 403.530 4.577 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@@]4(C)[C@@H]3CC[C@]12C 26385614 CJNYDPBXKCGRGK-MJPSLFSXSA-N 402.623 4.580 0 1 HJAF COc1cc2sn(CCCCCCN3CC4CCC(CC4)C3)c(=O)c2cc1OC 29402776 SXJAFMBIMUIRPF-UHFFFAOYSA-N 418.603 4.763 0 1 HJAF Nc1ccc2ncnc(NCCc3ccc(OCc4ccc5ccccc5n4)cc3)c2c1 32089627 HBKIRMWYGZMQAH-UHFFFAOYSA-N 421.504 4.994 0 1 HJAF C[C@@H](Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O 36349015 GQFFWPAHFXPYSA-NSHDSACASA-N 404.948 4.757 0 1 HJAF COc1ccc2cc3[n+](c(-c4ccccc4)c2c1OC)CCc1cc2c(cc1-3)OCO2 36445368 FJUPGIHRVWRXKL-UHFFFAOYSA-N 412.465 4.763 0 1 HJAF CCOC(=O)c1cc(=O)c2cc(CSC(=S)N(C)c3ccccc3)ccc2o1 43067502 MKYBXJOSLZGRKU-UHFFFAOYSA-N 413.520 4.624 0 1 HJAF COc1cccc2c1nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21 66259775 PQMNFEUZEJIITC-UHFFFAOYSA-N 415.522 4.892 0 1 HJAF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133218 VOPVGTFSNWWZSA-UHFFFAOYSA-N 404.489 4.610 0 1 HJAF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 82176119 QSQDAVUBUXQNHT-UHFFFAOYSA-N 404.445 4.909 0 1 HJAF COc1cccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)SCCC3)c1 103259145 DOEAEBABEXYLMH-UHFFFAOYSA-N 407.495 4.561 0 1 HJAF FC(F)Oc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)nn1 114347788 UBFYHGZTRDBAOO-QFIPXVFZSA-N 413.855 4.904 0 1 HJAF COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(N(C)C)cc1 169688256 XNOYSEZNLJXOGH-OAQYLSRUSA-N 404.514 4.532 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1 255219538 IHUAQEBWORFLGF-WQQDHOQJSA-N 411.630 4.836 0 1 HJAF COc1ccc(NC(=S)NC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cc1 299871036 XQHBAASMZZVCOX-UHFFFAOYSA-N 424.545 4.646 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 586960910 DGVDSUIEGUMCKM-OAHLLOKOSA-N 403.573 4.588 0 1 HJAF Cc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1F 587006504 LUJBXSOBQHDDAH-UHFFFAOYSA-N 412.262 4.650 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)ncc2[nH]1 587044824 UFSNQELIFBLPOY-UHFFFAOYSA-N 403.063 4.711 0 1 HJAF COc1ncc(F)cc1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 587176103 NBMYYPGGPYOJIS-UHFFFAOYSA-N 408.271 4.960 0 1 HJAF O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2cccc3c2c1-c1ccccc1C3=O 587209151 KYRXIGNQBTXALR-UHFFFAOYSA-N 423.424 4.512 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587216705 KGZHPBYNPGEWTD-UHFFFAOYSA-N 416.502 4.810 0 1 HJAF COC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cn1 587244355 DAZCPAIJUFIVBZ-UHFFFAOYSA-N 415.169 4.585 0 1 HJAF Nc1ccc(C(=O)CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 587251630 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4.917 0 1 HJAF COC(OC)c1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587716005 IJVYBLJRQUBCTD-MLCYQJTMSA-N 412.274 4.642 0 1 HJAF Cc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587761728 VEYAQEYSSKRBMY-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF CCOC(=O)C[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799676 UEAVKBCNXGNBFY-RNODOKPDSA-N 412.343 4.851 0 1 HJAF COc1cc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587806163 IJUIPGHISBHAQB-YUNKPMOVSA-N 408.311 4.685 0 1 HJAF COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809288 SHPXKLDVXMUSQC-XUSGNXJCSA-N 422.338 4.906 0 1 HJAF CCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587820574 AOYYQEGTFMXMME-ASSNKEHSSA-N 420.322 4.793 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(OC)cc1 587864879 RSYXXVOPSQEIRM-UHFFFAOYSA-N 420.387 4.695 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1C(F)(F)F 587871147 OKRGPSALGKDUDX-UHFFFAOYSA-N 408.351 4.826 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1cc(N3CCC[C@@H](C)C3)ccc1N)N(C)[C@@H](C)C2 962571083 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587412893 DVPTWKZLPFZJDC-DEOSSOPVSA-N 420.534 4.511 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442054 IGPVQBBGSCNUPN-HYBUGGRVSA-N 400.430 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1C(=O)O)CC2=O 587459966 ZYLRGQBOTQORTG-QGZVFWFLSA-N 405.244 4.512 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(O)ccc21 587483014 QGFNBEDJGFRZPG-VWLOTQADSA-N 400.430 4.504 0 1 HJAF O=C(O)CCC(=O)CC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530689 GUYCKOIUVJBZEK-QHCPKHFHSA-N 412.507 4.702 0 1 HJAF O=C(O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550695 XVNJYOGWSLJWPV-NZQKXSOJSA-N 424.836 4.768 0 1 HJAF Cc1nc2scc(C3CC3)n2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620113 XIKXLCMMCBNGGV-GCJKJVERSA-N 418.474 4.990 0 1 HJAF O=C(c1ccc(COc2ccc(Cl)cc2)o1)n1ncc2ccc(Cl)cc2c1=O 587651176 DYZZNWRXUVBVQW-UHFFFAOYSA-N 415.232 4.564 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)n(C)n2)N1 587851750 JHVFHCRGOOYBQO-MGNBDDOMSA-N 406.324 4.674 0 1 HJAF COc1ccc2c(c1)[C@]1(CCS2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587855470 GHKHFHVJQDNVKZ-WLRWDXFRSA-N 408.336 4.870 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]c2ccccc2c1Cl 587869028 YCZKHUVRJVPZLI-UHFFFAOYSA-N 420.778 4.796 0 1 HJAF O=C1Nc2c(Cl)cc(Cl)cc2[C@]12c1ccsc1CCN2Cc1cccnc1 962990310 BJJSRMSSLISEOR-HXUWFJFHSA-N 416.333 4.704 0 1 HJAF C[C@H]1c2ccc(F)nc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772613693 JWDSGJQAZOIVIJ-MOPGFXCFSA-N 418.516 4.902 0 1 HJAF CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1)c1c(nc3c(c1N)CCCC3)O2 1772622039 KVQYRPWLNMXJJF-IBGZPJMESA-N 420.513 4.521 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356835018 KNGAXTVTDIELJV-NPZAGDDTSA-N 424.581 4.512 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CC(=O)O)CC=C4[C@@]3(C)CC[C@@H]21 2356866244 WOEJKJRYYMIVPV-SPCXXQJASA-N 415.574 4.783 0 1 HJAF O=C(Nc1ccccc1C(F)(F)F)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205707949 WIDDGGUVIKHOJD-BXTJHSDWSA-N 410.436 4.968 0 3 HJAF CCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 3815921 MYVZSNZLGIJIOS-UHFFFAOYSA-N 403.526 4.860 0 1 HJAF CN1C(=O)N(c2cccc(Cl)c2)[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1(C)C 4174828 ALPXBQKFDHMDHT-MRXNPFEDSA-N 407.301 4.792 0 1 HJAF in-vitro CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215162 CBMOGDIWACELMN-BPCBYJRWSA-N 418.578 4.622 0 1 HJAF COc1ccc(CC(=O)N(C)CCN2c3ccccc3CCc3ccccc32)cc1 34035669 XDBGPCGQQRPTGM-UHFFFAOYSA-N 400.522 4.633 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 34801326 XQSKEOBPPYRPOT-WZAVYVBLSA-N 414.634 4.887 0 1 HJAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)nc1)C2 36126717 ONJIDPSNVZIKJS-DEOSSOPVSA-N 417.528 4.579 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 36242993 RCXGNJNDQYAWDC-VQHZQCTRSA-N 422.606 4.890 0 1 HJAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C(C)C)NC23CCCC3)c2ncccc2c1 43121873 AXPWFVKLNLJSQV-PGRDOPGGSA-N 424.589 4.551 0 1 HJAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C1CC1 45318724 CEOHFPLVFGSEBG-LJQANCHMSA-N 419.428 4.756 0 1 HJAF C[C@@H]1CN(C(=O)c2c(Oc3ccccc3)n(-c3ccccc3)c3ccccc23)CCN1 64526628 GSIZMJLYFZTHCQ-LJQANCHMSA-N 411.505 4.857 0 1 HJAF O=C1CCCN1[C@@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 66103025 STZYYZJYVDWLID-NRFANRHFSA-N 413.399 4.722 0 1 HJAF C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@H](O)[C@H]1C)O[C@H]1[C@@H]3C1(C)C 85940352 NDJILOHYAHLIPO-OOEDNSJQSA-N 404.462 4.795 0 1 HJAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)C1CCC(O)(C(F)(F)F)CC1 115791065 LJCYTZOSRCZIKR-IHNMVGGXSA-N 409.492 4.611 0 1 HJAF Cc1ccc([C@@H]2c3n[nH]c(=O)c4cccc(c34)N[C@@H]2c2ccc(CN(C)C)cc2)cc1 118617131 GVSORFPHFXQBDJ-LADGPHEKSA-N 410.521 4.592 0 1 HJAF COC1=C[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169299374 FDWHRNRDGMYDCB-FQELHTAISA-N 403.448 4.628 0 1 HJAF CC[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697229 LOLIGPMPSPGNGJ-IRFCIJBXSA-N 414.590 4.706 0 1 HJAF Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1Cc1sc(=O)[nH]c1O 169722717 YJDOOYZCAIEGLO-UHFFFAOYSA-N 416.808 4.901 0 1 HJAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12 299870082 VUTKLNPFXCDBAP-UHFFFAOYSA-N 421.888 4.618 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cc1 586931461 UWGFOGKVJUFEIU-UHFFFAOYSA-N 413.449 4.642 0 1 HJAF Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1Cl 586968067 LDBJZIIANRJBJT-UHFFFAOYSA-N 424.839 4.812 0 1 HJAF COC(=O)c1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cn1 586982363 KIKDSKHAZNJLKP-CQSZACIVSA-N 416.319 4.879 0 1 HJAF O=C(O)CCc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989148 YXARUXYEOGCBKA-UHFFFAOYSA-N 413.404 4.975 0 1 HJAF Fc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1Br 587005291 RMNFZQHNSPIJOG-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF O=S(=O)(c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1)C(F)(F)F 587086208 XGMROPWYSHEOFA-UHFFFAOYSA-N 411.792 4.725 0 1 HJAF COc1cc(OC)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 587130530 UCNOEFLTWYCRET-ZCFIWIBFSA-N 406.767 4.915 0 1 HJAF COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352952 PQXNBCREAIVWLY-UNGHYCQRSA-N 420.436 4.595 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1CCOc1ccc(OC)cc1)CC2=O 587470104 ICZZJAFSSBSLCT-DEOSSOPVSA-N 421.493 4.940 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O 587484652 TVYORBKFCIPSOG-CPJSRVTESA-N 410.510 4.799 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCCO2 587551503 GBKRGDXRHYATFJ-SIKLNZKXSA-N 424.836 4.910 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCO2 587552180 OCELGULLJBLZDB-WIYYLYMNSA-N 410.809 4.520 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccc(F)c2)no1 587569632 IUDRAMFUMHKBRU-NFBKMPQASA-N 403.365 4.889 0 1 HJAF CCc1nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587588635 UHUJNAYDSPYBBL-GBXCKJPGSA-N 401.418 4.973 0 1 HJAF O=C(Cc1c(F)cccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659011 XEQGSJHKLFIRPW-UHFFFAOYSA-N 410.807 4.878 0 1 HJAF Cc1cc(Br)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587678461 CNUWUXNOQPLVKC-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704627 JFYQSCCCTYQZBN-MGPLVRAMSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(F)F)OC(C(F)F)=C2)N1 587719294 PZHPSTVELJMRKG-ZETCQYMHSA-N 410.180 4.646 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800459 XLICQWLJOUEFJC-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCCO3)N1 587836083 RPROIRPESJIFNY-ASSNKEHSSA-N 420.322 4.742 0 1 HJAF Cc1cc(=O)oc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc12 587837673 JUCYGLFMDQFCEB-BIBXISHDSA-N 402.263 4.627 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cncc(Br)c1 587862049 ZKNWAIDIKRSSFX-UHFFFAOYSA-N 412.209 4.783 0 1 HJAF Cc1ccccc1-c1cc(O)n(-c2cc(Br)cnc2Br)c1O 587939137 BRFOWILFRGFEBS-UHFFFAOYSA-N 424.092 4.784 0 1 HJAF Cc1cc(OCc2ccccc2)cc(C)c1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962901611 RCMJEXGCILPVLS-XUZZJYLKSA-N 405.469 4.710 0 1 HJAF COC[C@@]1(c2cccc(C(F)(F)F)c2)c2cccc(Br)c2CCN1C 963290109 TZCGLCIIFYGUII-GOSISDBHSA-N 414.265 4.846 0 1 HJAF CN(C)CCOc1ccc(/C(=C(/CCCO)c2cccnc2)c2ccccc2)cc1 1772588762 LRXWTPPPMRBGNP-QPLCGJKRSA-N 402.538 4.754 0 1 HJAF O=C(Nc1cccnc1)N1CCc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2C1 1857602196 IUHFMEQMIHBNLA-UHFFFAOYSA-N 415.284 4.512 0 1 HJAF CN(C)C(=O)/C=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857638278 NEEOSFZCVGCXOH-PKNBQFBNSA-N 403.486 4.731 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C4C(=O)OC(=CCCC)[C@@]4(CC3)[C@]21CCO 2356593180 ZTOVGCNYWBLMSL-ASDRPXCFSA-N 424.537 4.880 0 1 HJAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccncc2)nc2ccccc12 2356721938 TZNSCYJMVXROOH-CPJSRVTESA-N 414.553 4.633 0 1 HJAF CCCCCCN1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 61923950 LUIVVVBAKNBNNR-YPAWHYETSA-N 402.970 4.738 0 3 HJAF CCCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 3819884 DSPGZIOMOKLPIM-UHFFFAOYSA-N 423.623 4.602 0 1 HJAF O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccccc1C(=O)O 4258298 QLXQDJGMZQMXGP-UHFFFAOYSA-N 405.494 4.870 0 1 HJAF CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=C[C@@](C)(CO)O2 14692092 HXAFJEIIUGRXPL-VWLOTQADSA-N 420.461 4.537 0 1 HJAF biogenic CCCc1cc(OC(=O)c2c(O)cc(OC)c(Cl)c2CCC)cc(O)c1C(=O)O 15122273 OPCWRYYYOJWUDI-UHFFFAOYSA-N 422.861 4.582 0 1 HJAF biogenic Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](/C=C/c1ccccc1)SC(N)=N2 17222142 XGOQGZPZPBFDEW-CRVDFBCUSA-N 408.914 4.981 0 1 HJAF O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](N1CCCCC1)O2 28126145 ZJMGZUMWNMFBEJ-DEOSSOPVSA-N 406.526 4.942 0 1 HJAF CN1C[C@H](CNC(=O)c2ccccc2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]21 36187736 MOWAUISIARUDCJ-AMHTUMDSSA-N 415.581 4.855 0 1 HJAF CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3nonc3c2)cc1 45334394 VLCPWHIPLCTDFT-IBGZPJMESA-N 415.497 4.513 0 1 HJAF O=C(Nc1cccc2c1[nH]c(=O)c1nn(-c3ccccc3)cc12)OCc1ccccc1 72175197 UWDRRBDKSISNHV-UHFFFAOYSA-N 410.433 4.616 0 1 HJAF Cc1c(C2=NS(=O)(=O)c3ccccc3N2)c2ccccc2n1Cc1ccccc1 73293976 OLFBGQGPJJFDIV-UHFFFAOYSA-N 401.491 4.559 0 1 HJAF COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccco2)n1 82166305 MTSIGUISAQQJJV-UHFFFAOYSA-N 408.483 4.594 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CCc2ccccn2)cc1 82179264 XXJUFPIQALGMOP-UHFFFAOYSA-N 424.508 4.953 0 1 HJAF CCN(CC)CCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 96938989 JOWIHIKWRNCZOI-UHFFFAOYSA-N 412.528 4.947 0 1 HJAF CSc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 103996403 AOFSJHJDPZCEMV-IERDGZPVSA-N 413.539 4.939 0 1 HJAF CC(C)(CCC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1)C(=O)O 137623517 WVTMXMFVMZERQV-UHFFFAOYSA-N 412.559 4.788 0 1 HJAF CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C\2C)cc1 169692859 LSDICXYPPJEUGV-CIBQQNEMSA-N 400.515 4.991 0 1 HJAF COc1cc(-c2nccc3nc(-c4ccc5cc[nH]c5c4)[nH]c23)cc(OC)c1OC 473170917 SQSZRGOISCZCTQ-UHFFFAOYSA-N 400.438 4.799 0 1 HJAF Cc1c(F)ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587230294 CSGPNSWQQMPXBW-UHFFFAOYSA-N 404.445 4.900 0 1 HJAF Cc1ccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1N 587250201 JVFWQUHNGNQUAB-UHFFFAOYSA-N 414.225 4.900 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCCN2)[C@H]1c1ccc(F)cc1 587345658 JHSVBFGJCXJFRH-KYPHJKQUSA-N 417.480 4.928 0 1 HJAF COc1ccc2c(c1)CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351317 MKFGPYLVGONFIH-ZCYQVOJMSA-N 404.437 4.827 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(c2cccs2)[C@H]1c1ccc(F)cc1 587372822 GKMRAIPVHAYKCA-UGKGYDQZSA-N 406.438 4.619 0 1 HJAF CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521606 DOWPDJHMNMCIFI-VWLOTQADSA-N 408.494 4.998 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1 587556048 UODHNQSEIMTHQW-FXAWDEMLSA-N 415.214 4.997 0 1 HJAF CCOc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587593014 ZXKKWHQLXQBDHT-QPPBQGQZSA-N 401.418 4.975 0 1 HJAF CCOC(=O)C[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595591 LEIMEECASYGPIK-XUZZJYLKSA-N 410.466 4.626 0 1 HJAF CCOC(=O)C[C@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596002 MRSWEPWNPCXAEU-QPPBQGQZSA-N 410.466 4.626 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)F 587719645 QYDJKGREBYCLMA-XYZCENFISA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cnn(C)c3)c2)N1 587762692 ZNJFJZFCJUMLAH-FKIZINRSSA-N 400.295 4.612 0 1 HJAF COc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587805933 IDCWHRPNLSZIGC-ODXCJYRJSA-N 408.311 4.685 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587829642 RSMBFBCRGFEFCS-SZNDQCEHSA-N 420.322 4.848 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(Br)c1F)N(C)[C@H](C)C2 962620859 AILSWYRQGGQKPK-MGNBDDOMSA-N 412.274 4.710 0 1 HJAF CN(C)Cc1csc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962646337 ZLJQTIPRVBKRHE-WIOPSUGQSA-N 403.595 4.646 0 1 HJAF Cc1ccc([C@@]2(CC(=O)C(C)(C)C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962703384 BLOQZQCJPKJTPY-AUSIDOKSSA-N 417.471 4.890 0 1 HJAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(CN2CCCCC2)cc1)C1CCC1 963151165 RQNTZAJSTHFHKQ-SANMLTNESA-N 404.554 4.560 0 1 HJAF COc1ccc2c(c1OC)[C@@](c1ccc(C)c(C)c1)(C1CC1)NCC21CCOCC1 963184629 HHDLCOSFJBEPBJ-SANMLTNESA-N 407.554 4.626 0 1 HJAF CCCCC[C@]1(CC(=O)c2ccccc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963216640 ACYQEICJXQRFHT-ZEQKJWHPSA-N 416.521 4.882 0 1 HJAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCC(F)(F)CC3)c2cn1)c1ccccc1 1772654943 MUTFYPZOCNRISK-CYBMUJFWSA-N 414.460 4.830 0 1 HJAF COc1ccc2c(c1)CC[C@H](Cc1cc[n+](Cc3cccc(C)c3)cc1C(C)=O)C2=O 1857538313 GXBABYCGVYRTDT-HSZRJFAPSA-N 414.525 4.530 0 1 HJAF COc1ccc(Nc2cc3c(cn2)ncn3Cc2ccc(OC)c(OC)c2)c(C)c1 82082951 YPLGGYGTOWDFGW-UHFFFAOYSA-N 404.470 4.557 0 3 HJAF Cc1cccc(C)c1NC(=O)[C@@H](C1CC1)n1c(=O)c(-c2ccco2)nc2ccccc21 95599233 DFXPYRSTVGLWNH-HSZRJFAPSA-N 413.477 4.863 0 3 HJAF O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2F)CCC1 13534053 CTKBCQCRHRCICI-UHFFFAOYSA-N 409.335 4.895 0 1 HJAF in-vitro CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 14557645 JDIQSGWDOULBFU-HZSPNIEDSA-N 402.487 4.623 0 1 HJAF biogenic Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccncc3)c2)ccc1F 38253782 MZRCCMMKNFJJEA-UHFFFAOYSA-N 424.439 4.553 0 1 HJAF Cc1ccccc1-c1ccc(C[C@@H]2NC(=O)c3cc(Cl)ccc3N(C)C2=O)cc1 40563823 GLFCUWHBKACKRK-NRFANRHFSA-N 404.897 4.633 0 1 HJAF CN(C)c1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2[nH]1 40568028 QOTAGIXKWLAMEW-UHFFFAOYSA-N 421.913 4.710 0 1 HJAF COc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccc(O)cc1 72175045 NSEHQBFLVUFLOM-NRFANRHFSA-N 403.507 4.949 0 1 HJAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1 95555051 AWVVMUPZAROUQV-HNNXBMFYSA-N 412.964 4.503 0 1 HJAF O=C(Oc1coc(CSc2nnc(-c3ccccc3)s2)cc1=O)c1ccccc1 103240516 WNNMFZYZQRNTFY-UHFFFAOYSA-N 422.487 4.670 0 1 HJAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2cccs2)cc(-c2ccc(C)cc2)c1 142609803 UMQYUULIHXTDGS-INIZCTEOSA-N 408.523 4.741 0 1 HJAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(O)c3)o2)[C@@H](C)O)c(C)c1Cl 146579250 XYBGFDIGGTXMCX-BMLIUANNSA-N 402.813 4.628 0 1 HJAF C[C@H]1COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)N1Cc1ncccn1 206194519 FHFWXDQOBWUWEW-AWEZNQCLSA-N 413.399 4.586 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 299819571 HNCAMNUTTBOMFY-QKONGSNMSA-N 402.623 4.725 0 1 HJAF CCCOc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br 586882431 SWSZDJAXNXRTSV-BQYQJAHWSA-N 401.260 4.879 0 1 HJAF C/C=C\C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1CC(=O)OC)-c1ccccc1C4=O 586992618 QLBSVDCARJMOBY-UIRUKZSUSA-N 413.473 4.937 0 1 HJAF Cc1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1C 587006640 PHCRRWQHXDEMPR-UHFFFAOYSA-N 408.299 4.819 0 1 HJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2nc(Br)c[nH]c-2n1 587014412 LETTUUKGQSAHQR-UHFFFAOYSA-N 406.696 4.819 0 1 HJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)s1 587014750 PPLVSHWYYOEFID-VIFPVBQESA-N 424.320 4.641 0 1 HJAF Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587127057 QXGPFEGHUDHBJE-JMCQJSRRSA-N 414.229 4.805 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cccc2[nH]1 587181605 WQTCJCFCQDQYFH-QMMMGPOBSA-N 400.651 4.655 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)OC(C)C)c3ccccc13)CC2=O 587476199 QFMCZFRJUULIST-QHCPKHFHSA-N 421.493 4.958 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O 587696419 UHQGJJTYDZRYOC-RBHXEPJQSA-N 400.675 4.579 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587711446 GUAVNGMMZOXYIC-PWJLMRLQSA-N 403.217 4.934 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587724877 AAMSXSLPPBUGKR-ZIDLFYJRSA-N 412.665 4.832 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754422 DLGHTLCWWSXFTR-BIBXISHDSA-N 403.295 4.583 0 1 HJAF COc1nc2ccccc2cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587778979 POWYPJCDXRODOJ-WLRWDXFRSA-N 401.279 4.769 0 1 HJAF COc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809545 UFNMXYJJAUZETH-MPBGBICISA-N 408.311 4.598 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587839261 FFFWORMNEOQICG-YBTHPKLGSA-N 404.279 4.758 0 1 HJAF Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2OCc2ccccc2)cn1 587936522 UNDQCXNXKHWLJW-UHFFFAOYSA-N 424.298 4.925 0 1 HJAF O=C(Nc1cccc(F)c1)c1cc(O)nc2cc(-c3ccc(F)c(CO)c3)ccc12 1857744832 MOKSOPLOQGVQBD-UHFFFAOYSA-N 406.388 4.630 0 1 HJAF CO[C@@H]1CC(=C2C=CC=N2)N[C@]12O[C@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@@H]12 2356340666 VCQKVUNLUXMOER-LMDBFNAASA-N 409.574 4.977 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@@H]2[C@H](C)C(=O)O[C@]3(C)CCC=C(C)C[C@H]4O[C@H]3[C@@H]2[C@@H]41 2356640920 WFKXCGWVYJNIRE-QPUNEUGMSA-N 404.547 4.580 0 1 HJAF Cc1c(C(=O)N2CCCC[C@H]2C)sc2ncnc(N3CCc4ccccc4C3)c12 2931557 WADORZBBAWDWIC-OAHLLOKOSA-N 406.555 4.577 0 3 HJAF O=[S@@](Cc1nccc(OCc2ccccc2)c1Cl)c1nc2cscc2[nH]1 27519741 OKFISRVDHBDWHJ-AREMUKBSSA-N 403.916 4.560 0 1 HJAF COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CCN1CCN(c2ccccc2C)CC1 27900125 HCWDYJODXWYYEI-QHCPKHFHSA-N 424.585 4.573 0 1 HJAF COc1cc2c(cc1NC(=O)c1cc3cc(Cl)ccc3[nH]1)CCC(F)(F)[C@H]2O 40380638 JBEKDYQXRBVQLD-SFHVURJKSA-N 406.816 4.697 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C 40447767 GLSZMIVCBQXSEA-WBCKTGPZSA-N 402.623 4.725 0 1 HJAF COc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1 40563786 WRYAMDWSPIWYBS-UHFFFAOYSA-N 421.294 4.748 0 1 HJAF CC(C)CCC(=O)N(C)Cc1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 40874012 KSNRUZJAAQHMRG-SZPZYZBQSA-N 421.629 4.930 0 1 HJAF CC(C)(C)OC(=O)N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72102261 LYLHJLMNGGLTLT-IBGZPJMESA-N 421.463 4.743 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ccccn3)nc(Cl)c2C)s1 114805546 MAFLAYQHEPPOKU-HUUCEWRRSA-N 415.950 4.701 0 1 HJAF COc1cc([C@@H]2[C@@H](C)[C@H]3[C@@H]2c2c(c4ccccc4[nH]c2=O)C[C@H]3C)cc(OC)c1OC 169338477 SNAXARGFHLLBSW-JRRWBBKBSA-N 419.521 4.879 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819539 FZSXHRMZIAUGIF-FKHIRMOZSA-N 402.623 4.772 0 1 HJAF CC[C@H](C)CC(F)(F)[C@]1(O)CC[C@@H]2[C@H](CC(=O)[C@H]2CCCCCCC(=O)O)O1 504477376 SDDSJMXGJNWMJY-IXUZGLHLSA-N 404.494 4.556 0 1 HJAF biogenic O=C(OC[C@H]1CCCN2CCCC[C@H]12)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 504781871 FOMDFGUQTIWHEP-SNUJHFHJSA-N 410.396 4.528 0 1 HJAF biogenic CCOC(=O)Cc1c(-c2ccccn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097184 MEUQACZEFADSOZ-UHFFFAOYSA-N 408.457 4.922 0 1 HJAF Fc1ccc2[nH]cc(Cc3nc4c(Br)cnc(Br)c4[nH]3)c2c1 587175227 SXXCISJHPHZOLS-UHFFFAOYSA-N 424.071 4.694 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587226825 UMCCUXUSHADUDV-OAHLLOKOSA-N 407.898 4.759 0 1 HJAF O=NCC1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587334866 IIMKGBHQGWBIKT-VWNXMTODSA-N 417.392 4.828 0 1 HJAF COc1ccc2c(c1OC)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352573 PCFFNSQAGJSCLQ-RCZVLFRGSA-N 420.436 4.749 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c(C(=O)O)c4)o1)[C@@H](C2)C3=O 587422673 RDYBNYQZERLKNM-QKKBWIMNSA-N 410.809 4.796 0 1 HJAF O=C1C[C@@H](c2cc(I)ccc2O)Oc2c1ccc1c2CCCC1 587509051 XDQKBHVNVQMINJ-SFHVURJKSA-N 420.246 4.582 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Cl)nc1Cl 587553222 ULHWNGWWTYALER-ABAIWWIYSA-N 423.639 4.845 0 1 HJAF COc1cc2c(cc1Cl)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554940 YMBXTENDDHPLCK-REWPJTCUSA-N 408.837 4.858 0 1 HJAF Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 587576354 GLUITHBBCQKUQJ-ZEQKJWHPSA-N 407.425 4.860 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2cnccn2)c1 587589339 UUIHNMKTNNWVTO-QPPBQGQZSA-N 412.401 4.677 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596859 WUYXFDLEQUQTJD-AGILITTLSA-N 410.466 4.626 0 1 HJAF C[C@]1(c2c(Cl)nc3sccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620135 XPSQXDUVAZIQEF-XOBRGWDASA-N 412.854 4.632 0 1 HJAF O=C(c1sccc1OCc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O 587651495 KNCXMAOXCDRVOT-UHFFFAOYSA-N 414.845 4.518 0 1 HJAF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587710041 QBTKRELOVUJLHV-QLJPJBMISA-N 403.217 4.632 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3cccc(F)c3)CC2)N1 587727949 CLBVDYLLNISZSE-ZJDGCUJOSA-N 422.313 4.919 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2cccn2)N1 587760766 QNNRSPUHUWILCK-RNODOKPDSA-N 400.295 4.572 0 1 HJAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1 587787742 QWJUNBNROIDJFD-UHFFFAOYSA-N 409.230 4.736 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587830747 FPFQZYCOGBTBMT-GTJPDFRWSA-N 420.322 4.936 0 1 HJAF CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587876894 XYCYROUPVQYGSE-CYBMUJFWSA-N 401.438 4.472 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(c1cccnc1)c1c[nH]c2ccccc12 963047366 OJDXXHHSIPZVGM-AREMUKBSSA-N 406.489 4.557 0 1 HJAF Cc1cc(OCC(=O)NCC(F)(F)F)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857546136 BGQZZZJHWSXNAZ-UHFFFAOYSA-N 409.448 4.781 0 1 HJAF O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)c1ccc(F)cc1 1857654369 MIWCFIIWSBEMAM-QFIPXVFZSA-N 412.823 4.714 0 1 HJAF CC(=CCC[C@]1(C)OC(=O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H]1C)Cc1cc(C)co1 2356439949 IVRBZHGZUKMJJC-SWDVRCMSSA-N 412.482 4.719 0 1 HJAF CC(=CCC[C@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@@H]1C)C[C@@H]1C=C(C)C(=O)O1 2356546751 QZBUJGPGJAQWIM-ICKUNSISSA-N 410.466 4.742 0 1 HJAF COc1ccc2c(c1O)N(c1ccccc1)[C@@H]1CC[C@]34CCCN5CC[C@]21[C@@]53OCC4 2356561532 GWUGNKKPSKDRBY-CBRSEMLDSA-N 418.537 4.555 0 1 HJAF CC1=C(CCC(=CC[C@@H]2OC(=O)C=C2CO)CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 2356562233 QJXKKRHELODLFT-SGIRGMQISA-N 402.575 4.862 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@@H]1[C@H](C)C[C@H](C=C(C)C)OC(C)=O 2356631351 ZIISMZIZMXGTAW-CKGKACTHSA-N 422.562 4.766 0 1 HJAF C[C@@]1(C(=O)NCC2CCCCC2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61904486 BNDIWESERITRMT-SANMLTNESA-N 404.554 4.584 0 3 HJAF Cc1cccc(CN2C(=O)CSc3ccc(C(=O)NCc4ccccc4)cc32)c1 3638476 HMRUZOKPQAQTCX-UHFFFAOYSA-N 402.519 4.564 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc(OCC)c1 4207476 JAQCSGRTIFIMLJ-CTNGQTDRSA-N 400.906 4.747 0 1 HJAF CC[C@H](Cc1ccc(OC)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358312 RENIXNFHBZKVGV-OAHLLOKOSA-N 409.404 4.549 0 1 HJAF COc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 13742755 FFFBLUYUGVALAT-GFNRTWGOSA-N 422.569 4.547 0 1 HJAF c1ccc(-c2nn3c(c2-c2ccnc4cc(OC[C@H]5CCCO5)ccc24)CCC3)nc1 14976404 DPLZBVCTGRIVBN-GOSISDBHSA-N 412.493 4.664 0 1 HJAF Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)ccc1OCCCCCCC(=O)O 28395439 YVKOJRVAZDRRMZ-UHFFFAOYSA-N 406.482 4.826 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 29042106 SVAFVUMQBHODCP-QLPDOKLOSA-N 404.547 4.816 0 1 HJAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2c(C(F)(F)F)cccc2c1O 29228779 ONLZCSMVKPIWON-UHFFFAOYSA-N 407.295 4.687 0 1 HJAF COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCCC1)[C@@H](CO)N2 95605178 CYCCLRLTJGJAOG-QFZRFWILSA-N 420.553 4.619 0 1 HJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/[125I] 102770574 DQQMDOLPKAVVIE-BBXTWCFOSA-N 422.323 4.928 0 1 HJAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3c(c2)OCO3)cs1 118595478 VXSBWVSQPKPQMR-LJQANCHMSA-N 422.506 4.671 0 1 HJAF CO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(COC(=O)CC(=O)O)=CCC[C@H]23)CO1 238767938 GVDOCINBIYBYHQ-NBBNFIKASA-N 422.562 4.572 0 1 HJAF COc1ccc2cc(-c3ccc([C@]4(O)CN(C)[C@H]5CCCC[C@H]5O4)cc3)ccc2c1 253951195 ICLVRPDPZWNNKL-NXCFDTQHSA-N 403.522 4.934 0 1 HJAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 299882755 QGVNAVAZXQTHNI-YCASGBEESA-N 422.456 4.787 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 587167463 NMPCWBUNTKNISZ-INIZCTEOSA-N 421.245 4.973 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238395 DAFZXHNCKFWHRG-LSWYUMSHSA-N 405.926 4.771 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ncco2)[C@H]1c1ccc(F)cc1 587332416 ADCIQNKENLFNCE-URXFXBBRSA-N 401.393 4.822 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)O2 587385024 LDCDALQGDIJMKG-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587447199 NLWSGPGJADPQJY-DFBJGRDBSA-N 408.494 4.891 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1O 587545815 HYAMDINGEDFANV-JXFKEZNVSA-N 402.324 4.820 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2F)N1 587725376 CWBGTHLZKPEHLI-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587745405 WDSLSPONXGYAEJ-RBZFPXEDSA-N 405.311 4.675 0 1 HJAF CCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587791737 GERPXHLUQYVKOF-JEOXALJRSA-N 416.294 4.824 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(COc1ccccc1Br)N(C)[C@@H](C)C2 962619684 FKXSLTRWVSPFCD-LHSJRXKWSA-N 420.347 4.637 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C=C(Nc2ccccc2N)CC(C)(C)C1 963609119 LUAGUBVLAIDPRW-PUAOIOHZSA-N 407.558 4.832 0 1 HJAF Cc1cccc2c1[C@@H](c1cccc3nc[nH]c13)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862510 AUBSQLQNMGYVAA-OPAMFIHVSA-N 421.497 4.597 0 1 HJAF COc1cc2ccc([C@@H](O)c3ccc4c(c3OC)C=CC(C)(C)O4)nc2cc1OC 1772610575 XUBJQCKYERYPSK-QFIPXVFZSA-N 407.466 4.527 0 1 HJAF O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccccc1)C1CC1 1772642978 SVAMTBFRESIQFZ-DXCHCPKQSA-N 410.517 4.749 0 1 HJAF COc1ccc(C(C/C=C/CN2CCC[C@@H](C(=O)O)C2)c2ccc(OC)cc2)cc1 1857771227 IIXMGYFUVJQBED-YEFOHOTDSA-N 409.526 4.579 0 1 HJAF COC(=O)CCC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@H](O)C[C@@]12C 2356378983 ZFHOCBSSUADVIP-SMTRIPRVSA-N 420.590 4.979 0 1 HJAF CC(=CCc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1)CC[C@@H](O)C(C)(C)O 2356746096 UKDKIYYRIZKILX-HSZRJFAPSA-N 412.482 4.617 0 1 HJAF C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)C1 4134265 RIWFNDWJYRDXTG-HZCFWTAGSA-N 415.537 4.583 0 1 HJAF O=C(Nc1nnc(Sc2nc3ccccc3s2)s1)C(Cl)(Cl)Cl 13479506 LEBFRMXHEMHHKL-UHFFFAOYSA-N 411.748 4.608 0 1 HJAF Cc1nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc2n1C(C)C 13538325 SRTKLTZQTACWKN-UHFFFAOYSA-N 413.957 4.794 0 1 HJAF Cc1c(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc2n1C(=O)OC(C)(C)C 13737552 MFNYEEHXLOMCLT-LAUBAEHRSA-N 423.538 4.714 0 1 HJAF COc1ccc(C2=NN(CCCOc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26571816 TVGJNNOUNWXDCO-SFTDATJTSA-N 422.525 4.526 0 1 HJAF CC(C)=CCC/C(C)=C/c1cc(C)c(COC[P@](=O)(O)CP(=O)(O)O)o1 27654805 RSUUIPYRQSSJSE-RIYZIHGNSA-N 406.352 4.617 0 1 HJAF COc1ccc([C@@H]2[C@@H](CCOc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 28259724 MZRNCWLVBBFVFA-DNQXCXABSA-N 403.478 4.877 0 1 HJAF COc1ccc2c(c1)C(=O)C[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)C2 28465876 YAPZNZSHQDBMMI-INIZCTEOSA-N 422.500 4.990 0 1 HJAF CN(C)CCNCc1ccc2c(c1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 28822278 CRJUDBADHREOSS-UHFFFAOYSA-N 424.548 4.672 0 1 HJAF C[C@@]1(c2ccc(O)c(Br)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978589 FDWPVMCZIQXWLZ-INIZCTEOSA-N 415.070 4.554 0 1 HJAF CCCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40394150 VBJNIPCHJSYHBM-JSRUGDOASA-N 406.607 4.712 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C 40447769 GLSZMIVCBQXSEA-LZQMZXLCSA-N 402.623 4.725 0 1 HJAF CS(=O)(=O)c1ccc([C@@H]2Sc3ccccc3C(=O)N2Cc2ccccc2)cc1 43069016 YOIIVBKCDGFPTQ-QFIPXVFZSA-N 409.532 4.537 0 1 HJAF O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45194095 SIHZPSOYFYJLKE-UHFFFAOYSA-N 416.550 4.784 0 1 HJAF C1=Nc2nnc(-c3ccccc3)n2Nc2c1c(-c1ccccc1)nn2-c1ccccc1 66074263 HPUWMCVCHYVGAB-UHFFFAOYSA-N 403.449 4.737 0 1 HJAF C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(C(F)(F)F)cc1F 71318369 FVYBXACUKLZYDM-DZGCQCFKSA-N 406.427 4.752 0 1 HJAF CC(C)(C)OC(=O)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72102262 LYLHJLMNGGLTLT-LJQANCHMSA-N 421.463 4.743 0 1 HJAF c1ccc(Nc2cc(NCc3ccc4c(c3)OCO4)nc(N3CCCCC3)n2)cc1 73196445 VRPWYYDLFHPJML-UHFFFAOYSA-N 403.486 4.551 0 1 HJAF O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085539 WZOJQEWICMTZEE-QGZVFWFLSA-N 402.516 4.521 0 1 HJAF CC(C)(NC(=O)c1ccc2c(c1OCCCCc1ccccc1)CCCC2)C(=O)O 149569595 UUEHRDAKFQMJOI-UHFFFAOYSA-N 409.526 4.560 0 1 HJAF CSC1=N[C@@H]2C(=C(O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1 253636848 WASSYUHVCUFIGT-HNNXBMFYSA-N 407.517 4.892 0 1 HJAF CCN(C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]21)C[C@](C)(O)c1ccccc1 503969576 JTMYRQKZNPTWKI-MTNUWKHNSA-N 411.586 4.674 0 1 HJAF biogenic O[C@H]1C[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 586904433 TYWRIOPORHOLDU-HZMBPMFUSA-N 413.193 4.793 0 1 HJAF CCc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 586938719 XUHPNYMJCSEINS-GOSISDBHSA-N 417.600 4.515 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCC4=O)cc3)nc3ccc(O)c1c23 586988350 PSJNFGKBGIGMIM-UHFFFAOYSA-N 406.441 4.946 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587039531 GBPVKZHCOIOMJH-FQEVSTJZSA-N 407.539 4.728 0 1 HJAF Fc1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587074993 ARMKVURQJQAUFO-UHFFFAOYSA-N 421.657 4.953 0 1 HJAF Oc1nc(S)nc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587140623 DVUBKSDFUMGNDI-UHFFFAOYSA-N 402.451 4.585 0 1 HJAF CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587408529 HGDVCQIJRPDCQI-JOCHJYFZSA-N 407.576 4.792 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@@H]1CCC 587480590 DIZCQTCPMVEGOM-FNZWTVRRSA-N 419.521 4.915 0 1 HJAF Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587551808 JXKPUKAYYGDGNF-XXBNENTESA-N 420.852 4.809 0 1 HJAF COc1c(F)cc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556824 KKYZEARMLAXHIK-UYAOXDASSA-N 412.388 4.642 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1F)CC2 587568851 ODOZQGBJLGOEFQ-NRFANRHFSA-N 405.425 4.532 0 1 HJAF COC(OC)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587569981 TXMPAWBQSVCSBC-GCJKJVERSA-N 410.397 4.526 0 1 HJAF CC(C)(C)c1nc2cncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587589198 WFKAFHDFYBWVGX-XMSQKQJNSA-N 416.433 4.929 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCOCC1 587605726 ATCHWRUVFPWNSK-DHLKQENFSA-N 402.446 4.676 0 1 HJAF Cc1ccc([C@@]2(c3ncccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587774137 LQKAMOMEIJCIAN-SPLOXXLWSA-N 412.306 4.513 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(COc4cccc(OC)c4)cc3)[nH]c2cc1OC 587780572 DETOPBHYYIGGBQ-UHFFFAOYSA-N 418.449 4.613 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)OC(C)(C)C)CC2)N1 587797292 VZMXXBSNMCTWEZ-MEVBUXLWSA-N 412.343 4.850 0 1 HJAF COc1ccc([C@H](C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811386 ZUTPUGWRLXSWPD-XAAFQQQXSA-N 408.311 4.984 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccs3)CC2)N1 587851250 HVVWIYVJARFIBS-CYBMUJFWSA-N 409.368 4.675 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(F)(F)F)cc1 587867737 DATDJRXJTWCIMT-UHFFFAOYSA-N 415.293 4.680 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@H](c2coc(-c3ccccc3Cl)n2)N1)C(F)(F)F 962731202 QDSNPWJZMSMCNC-NVXWUHKLSA-N 406.791 4.730 0 1 HJAF C[C@@]1(c2cc(F)nc(N3CCCC3)c2)c2ccsc2CCN1Cc1cccnc1 962998328 VHOIYUUYNNXHLG-HSZRJFAPSA-N 408.546 4.599 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@](Cc3ccccc3Cl)([C@H]3CCCS3)c3cccc1c32 963018896 FIYNTDCPMVEZKJ-LQNXUBFPSA-N 412.986 4.727 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]31C=C(c2ccccc2)Oc2cc(N)ccc21 963061783 XYABKNRBZXHLNS-MHZLTWQESA-N 421.500 4.648 0 1 HJAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1 1857602831 LCHNDEARQJNFQA-GRGXKFILSA-N 409.618 4.670 0 1 HJAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]cc4c3[C@H]2C[C@H](C)CCC4)ccc1O 2356437216 LNMJLWPACMNBRF-HBGVWJBISA-N 421.537 4.979 0 1 HJAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3cccnc23)cc1 61906058 VSTPJOVOQCAOGM-SANMLTNESA-N 415.537 4.705 0 3 HJAF O=C1COCc2ccc(Br)cc2N1Cc1ccc(C(F)(F)F)cc1 205211956 VNKCGLOWNGXLIS-UHFFFAOYSA-N 400.194 4.531 0 3 HJAF O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4210465 QPTJEJCGQBGMRF-FYYLOGMGSA-N 422.887 4.930 0 1 HJAF CCN(CC)c1cc(C)nc(N(CC)c2ccc(N(C)C)cc2Br)n1 13794500 SFNYBMGYUGVFMX-UHFFFAOYSA-N 406.372 4.618 0 1 HJAF COc1ccccc1CNc1c(-c2cccc(Br)c2)nc2ncccn12 21631633 SMAKERBHHQLSQX-UHFFFAOYSA-N 409.287 4.780 0 1 HJAF O=C(CCc1c[nH]c2ccccc12)NCCCN1CCC2(CCc3ccccc32)CC1 28569075 HAWUGUQRAQYSPI-UHFFFAOYSA-N 415.581 4.587 0 1 HJAF CCOCCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1cccc(C(F)(F)F)c1 28954347 WCVDFGYSWQKAQI-MOHJPFBDSA-N 414.493 4.952 0 1 HJAF COc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc2c1CCC(F)(F)[C@@H]2O 40829400 CVPMXNANIVBHTH-GOSISDBHSA-N 406.816 4.697 0 1 HJAF CC(C)CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F 40847092 HEYJXICQNKXCIZ-UHFFFAOYSA-N 422.485 4.813 0 1 HJAF Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Br)cc1 43010071 BGUYMIOIVRDWKS-UHFFFAOYSA-N 402.317 4.674 0 1 HJAF CCOc1ccc(N2C(=O)N(c3ccc4c(c3)Cc3ccccc3-4)C(=O)C2=S)cc1 45287187 XXIBCVOQLVPBSZ-UHFFFAOYSA-N 414.486 4.957 0 1 HJAF O=c1cc(NCCCNCc2cccc(SC(F)(F)F)c2)[nH]c2ccccc12 45334854 ABJGQIJGWXRNON-UHFFFAOYSA-N 407.461 4.732 0 1 HJAF O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2o1 66104319 ABYADXYJTVWBHA-UHFFFAOYSA-N 400.356 4.636 0 1 HJAF CC1=C[C@H](COCc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 66138984 XUVNTVYKXBTGGX-IERDGZPVSA-N 414.299 4.549 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 73224490 KFFYAALIAYDYBI-UHFFFAOYSA-N 409.501 4.573 0 1 HJAF CSCC[C@H](Nc1nc(-c2ccc(C)cc2)cs1)C(=O)NCc1ccccc1 82191920 CSGPLJZZUFUYQS-IBGZPJMESA-N 411.596 4.969 0 1 HJAF Cc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)cc1 82214713 DLAPVKNAODDDAP-UHFFFAOYSA-N 400.526 4.733 0 1 HJAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1 95564041 WWURMYVUBRHFQC-UHFFFAOYSA-N 416.880 4.924 0 1 HJAF OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 95874537 CPGJSWPJIQFYIV-DNVJHFABSA-N 418.503 4.531 0 1 HJAF COc1cc2c(cc1OC)/C(=C\c1ccc(NC(=O)Nc3ccccc3)cc1)C(=O)N2 101113349 NWJKFFFSFYKXFX-XDHOZWIPSA-N 415.449 4.841 0 1 HJAF COc1ccc2c(c1)/C(=C\c1cccc(/C=C3/C(=O)Nc4ccc(OC)cc43)c1)C(=O)N2 102045632 QMCRFYAAISMYQS-XHQRYOPUSA-N 424.456 4.689 0 1 HJAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 103269150 MBKVBMZIKBANGV-UXHICEINSA-N 404.432 4.814 0 1 HJAF CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104004176 RBTSRCJUCAMYMF-NRFANRHFSA-N 402.498 4.868 0 1 HJAF COc1ccc2nc(C)cc(N3CCC(NC(=S)Nc4ccc(C)cc4)CC3)c2c1 299855225 ASIIHTXOSCVYBQ-UHFFFAOYSA-N 420.582 4.816 0 1 HJAF Cc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C 586960103 MXINNXNJVQKPNR-WTOYTKOKSA-N 409.555 4.874 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587041370 FNZBXYQBFQGEQD-QGZVFWFLSA-N 417.918 4.511 0 1 HJAF N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587158960 ZGCLQJNACFIUNJ-FVMDXXJSSA-N 414.200 4.825 0 1 HJAF Cc1ccc(C)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587170621 RPUVGESGHFONFJ-UHFFFAOYSA-N 401.488 4.848 0 1 HJAF N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1cccc2ccccc12 587258452 CVCJYDWDMBCDBH-AWEZNQCLSA-N 401.695 4.770 0 1 HJAF Cc1ccc([C@@]2(c3ncc[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587346500 MSOQLSYRUQVLSR-WIOPSUGQSA-N 414.436 4.866 0 1 HJAF O=C1c2ccc(O)cc2OC(c2ccncc2)(c2ccncc2)[C@H]1c1ccc(F)cc1 587346834 NNEFNBSFFKJMLR-QHCPKHFHSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1Br)O2 587377075 KTYNYQSCIJXLCN-HNNXBMFYSA-N 411.093 4.809 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCC1OCCO1)(Cc1ccc(F)cc1)O2 587383713 FJFLTJTYECUVEM-DEOSSOPVSA-N 413.489 4.596 0 1 HJAF CCOC(=O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610906 HLWADYJPLAIJJO-NFBKMPQASA-N 424.474 4.654 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N)N1 587676782 FSMKWXDRUDHSJA-ZKANADHPSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N)N1 587679811 ODYSLFRIUMURFM-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF Cc1c(Br)cncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587681149 JIMUDROFEHMBMJ-BCTVWOGZSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3F)nc2)N1 587728614 SXNPTAJRUCNLFZ-WYRIXSBYSA-N 416.269 4.808 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587759002 DSTBFEJCJPFJQT-WJONJSRFSA-N 417.366 4.860 0 1 HJAF Cc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587766139 FOIWIUPLTMOTND-OAHLLOKOSA-N 403.339 4.927 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587771674 CHTOYQPWSJNNFD-MPBGBICISA-N 412.306 4.977 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3cnccn3)c2)N1 587771824 DHXIFGDRNDNUQZ-MPBGBICISA-N 414.278 4.794 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798191 OCHSUJSTPPWROI-SZNDQCEHSA-N 420.322 4.546 0 1 HJAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587808879 RBRUPKPJEYUIMY-BBATYDOGSA-N 424.310 4.546 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C)cc1C 587865806 JUTHLCOYRUNORN-UHFFFAOYSA-N 406.408 4.511 0 1 HJAF O=C(O)c1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c2ccccc2c1O 653726117 AKARBYPGSQOLJR-UHFFFAOYSA-N 419.458 4.711 0 1 HJAF C[C@@]1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21 653878458 BPDCKUXKVHRNED-SJORKVTESA-N 405.338 4.634 0 1 HJAF Cc1ccccc1[C@@H]1NC(=O)N(C)C2=C1[C@]1(CC(C)(C)C2)NCCc2c(C)ccnc21 963072710 UMXFREHIJCSUSZ-NVQXNPDNSA-N 416.569 4.510 0 1 HJAF CCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180122 GFMBDGVULYSLFI-HKUYNNGSSA-N 413.823 4.620 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2CCC(C)=C[C@@H](OC(C)=O)C1 2356652695 MIRFWTNVMCVZIZ-YCAMKHIRSA-N 406.563 4.731 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@]12C 2356690513 AEHXVYOSNIAJOA-SENMAYDTSA-N 402.487 4.709 0 1 HJAF Cc1c(-c2ccc(S(C)(=O)=O)cc2)nc(NC2CCCCC2)nc1C(F)(F)F 1489245 BALFQEDEMVBSPI-UHFFFAOYSA-N 413.465 4.619 0 1 HJAF COc1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)cc1 13610188 KUZLDKPQBCXMLJ-UHFFFAOYSA-N 413.481 4.529 0 1 HJAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cc3ccccc3cn2)cc1 13812858 PFHQSXBMDDAXOJ-UHFFFAOYSA-N 417.412 4.510 0 1 HJAF O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCC1)[C@@H](NCC1CCCC1)O2 28121556 VSYYRXUYZOKVJA-DEOSSOPVSA-N 406.526 4.846 0 1 HJAF C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)N=C1c1ccc(Cl)c(Cl)c1 28472956 YBMIUFPRKJPNPB-JTQLQIEISA-N 403.718 4.692 0 1 HJAF O[C@@H]1/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)N2CCC1CC2 28826442 MFRVJBVWOXFGEF-TYBHGIAWSA-N 423.354 4.880 0 1 HJAF O=c1c2c(C(F)(F)F)nccc2nc(-c2ncccc2O)n1CCC1CCCCC1 43073671 CKWBESIWFUQPDD-UHFFFAOYSA-N 418.419 4.548 0 1 HJAF O=c1c(Cl)c(Oc2ccc3c(c2)OCO3)cnn1Cc1cccc2ccccc12 73351275 FLHDOPXASAXTDO-UHFFFAOYSA-N 406.825 4.619 0 1 HJAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCC3CCCCC3)co2)cc1 82073435 HCAJYRRZSDYQSL-OAQYLSRUSA-N 410.514 4.768 0 1 HJAF Cc1ccc(NC(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1 95583544 QRYSMUPTYDMOCV-UHFFFAOYSA-N 421.497 4.527 0 1 HJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2ccc(F)cc2)[C@@H]2CC[C@@H]1C2 100930205 IMOYQSALPFSZJN-XPGWYXGVSA-N 402.506 4.985 0 1 HJAF CO[C@H]1CC[C@@H](OC(=O)[C@@H]2C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 101103833 RJBJIKXTJIZONR-HSWWXKJFSA-N 424.585 4.683 0 1 HJAF in-vitro NC(=O)/C=C\c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113656535 ZLUZMRGENYSWJR-QPEQYQDCSA-N 408.505 4.505 0 1 HJAF O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 169326012 GKWAZNWJPDEISZ-UHFFFAOYSA-N 407.274 4.992 0 1 HJAF COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)=O)cc1 169696893 FCVIPWKIFDNAMQ-OAQYLSRUSA-N 403.482 4.668 0 1 HJAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c(Cl)cc2[nH]1 587000773 VEKBFBYOFWAGLI-UHFFFAOYSA-N 409.598 4.597 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCC[C@H]21 587027011 OLYFGTSKEQBZDC-BMFZPTHFSA-N 400.935 4.748 0 1 HJAF COc1c(F)ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1N 587133659 YFSLEBGLXJMIEG-UHFFFAOYSA-N 420.160 4.621 0 1 HJAF O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587212437 JTQRODTZCXSETC-UXHICEINSA-N 400.478 4.830 0 1 HJAF CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398334 DYMNXFWIENPIEF-NBGIEHNGSA-N 409.526 4.847 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC13CCN(C(=O)OC(C)(C)C)CC3)O2 587398860 IPLQDVNZEINIQY-XMMPIXPASA-N 414.546 4.873 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)-c1ccccc1C3)O2 587406465 HQCYJTWRJDYJPG-SANMLTNESA-N 413.473 4.874 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccccc4C(=O)O)c1)[C@@H](C2)C3=O 587448500 CVSMMHGTUQUSCF-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587552018 MIRYJGTWUWITNE-SUMWQHHRSA-N 403.221 4.500 0 1 HJAF COc1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587555672 HIPXXZRTIXDPFM-UWJYYQICSA-N 400.789 4.896 0 1 HJAF Cc1cccc(-n2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 587581528 LVBPMOSAHWAUOZ-RDGATRHJSA-N 412.445 4.763 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587582245 YZGXVMSFVKACEP-RDGATRHJSA-N 417.461 4.758 0 1 HJAF CC(C)[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594256 NQWDUHTURNPLPF-RCZVLFRGSA-N 404.462 4.965 0 1 HJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc2O1 587617656 QDNJBRWDETYEQA-RDPSFJRHSA-N 404.418 4.516 0 1 HJAF COc1ccc2c(c1)[C@](c1cccc(OC)n1)(c1cccc(F)c1F)N(C(C)C)CC2 962089475 JRRPPMRORGEEEB-VWLOTQADSA-N 424.491 4.935 0 1 HJAF CSCc1cnc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)s1 962629909 CUVQHNYBVHBNEP-UGKGYDQZSA-N 407.608 4.842 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(OC(F)(F)F)cc1C)NCC3 963059285 QLNRXQMHXHYPMI-OAQYLSRUSA-N 402.416 4.860 0 1 HJAF CCCCc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857647712 IXMCUXZUGBBJBO-NRFANRHFSA-N 402.523 4.832 0 1 HJAF CCCC[C@H](C)[C@@H]1CCC[C@H](OC)CC[C@@H](C)C=CC(=O)N2CCC[C@@H]2C(=O)O1 2356322831 BWNYFNVEJYUZSV-CTWRKMMKSA-N 407.595 4.887 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](OC(C)=O)C[C@H](C)[C@@]12C 2356545420 JKBLJUFERPGEOU-ZJYYHHSFSA-N 402.487 4.709 0 1 HJAF COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4cc(F)ccc4OC)cn23)c1 61907462 FWJALBRZWSMGLH-UHFFFAOYSA-N 405.429 4.783 0 3 HJAF CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1 3814329 JBIQVVFBLQWGPR-UHFFFAOYSA-N 420.314 4.770 0 1 HJAF CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccccc2)[C@H]1O 13672958 GOLPOEUPGGSHKY-WXFUMESZSA-N 415.599 4.619 0 1 HJAF O=c1ccc2c([nH]1)CCC[C@H]2NCCCCNc1c2c(nc3ccccc13)CCCC2 26399905 SBEBVBMYOHASKY-OAQYLSRUSA-N 416.569 4.661 0 1 HJAF Cc1ccnc2c1nc(C(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 34517200 WVUJZVSLBSYIJE-UHFFFAOYSA-N 409.497 4.759 0 1 HJAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)[nH]n1 72123311 CDTRKWIEUOTELK-UHFFFAOYSA-N 404.253 4.813 0 1 HJAF CNc1nc2cnc(Nc3ccccc3Cl)cc2n1Cc1ccc(OC)c(OC)c1 82082032 DGZJVJPFAXXKQX-UHFFFAOYSA-N 423.904 4.936 0 1 HJAF CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)CC1 82230037 HYHYWPLNOFVMDI-ROUUACIJSA-N 410.537 4.637 0 1 HJAF CCOC(=O)[C@@H](CC)Oc1ccc(NC(=O)COc2ccccc2[C@@H](C)CC)cc1 95558794 ZBVIBDLGVQMGFS-LAUBAEHRSA-N 413.514 4.938 0 1 HJAF CCc1cc(C(=O)c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 103262818 SZWDOUFCFLUFOJ-UHFFFAOYSA-N 422.529 4.616 0 1 HJAF COC[C@@H]1C[C@]12N=C(c1ccc(Cl)cc1)c1c(sc(C)c1C)-n1c(C)nnc12 146356400 HBGOEDMOBVVGQF-BTYIYWSLSA-N 412.946 4.620 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(OC(F)(F)F)c1 166703757 SHLTXVFUCTYPIT-CZUORRHYSA-N 409.404 4.712 0 1 HJAF CCOP(=O)(OCC)OCc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1 166897146 INPNLTXZLCIVSX-UHFFFAOYSA-N 422.370 4.529 0 1 HJAF in-vivo C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[C@@H](O)C(F)(F)F)CC[C@@H]12 169302557 JVSPILBDVWXPBS-IQZVMQCESA-N 416.524 4.889 0 1 HJAF COc1ccc(NC(=O)[C@@H]2C(C)=Nc3nc4ccccc4n3[C@H]2c2ccco2)cc1 169724298 WUXODEPKVBXYQX-RTWAWAEBSA-N 400.438 4.588 0 1 HJAF CO[C@H](C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)[C@@H]1CCCN1C 205799650 DNTTVASNLYWRSO-RBBKRZOGSA-N 422.598 4.684 0 1 HJAF O[C@H]1CC[C@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1 261074081 AQKULDWMVLPKPM-RQNOJGIXSA-N 423.520 4.972 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(Cl)c1 261123411 JVVKODRUNSDCND-IBGZPJMESA-N 424.884 4.665 0 1 HJAF Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Cl 586945768 LTJRNTNIZRQSAY-UHFFFAOYSA-N 423.972 4.793 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586984669 NXZFQTATGJNWOC-INIZCTEOSA-N 410.674 4.538 0 1 HJAF O=C(c1nc2c(Br)ncc(F)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587132820 IBTKWUXRIRQRRG-UHFFFAOYSA-N 407.001 4.536 0 1 HJAF Fc1ccc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1 587150215 QRSDNZYCIRUCMS-DUXPYHPUSA-N 415.035 4.932 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Br)c1OC)CC2=O 587455346 AUKXXOACAHRLJE-HXUWFJFHSA-N 405.288 4.996 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3occc3C(=O)O)cc1)CC2=O 587476623 DCBBZNIFOAJMKF-OAQYLSRUSA-N 422.433 4.921 0 1 HJAF O=C(O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587529924 SEVIIWAVFCZDNW-MHZLTWQESA-N 424.452 4.717 0 1 HJAF Cc1ccc(C)c(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c1 587651910 GZVZUBDTJWRVMA-UHFFFAOYSA-N 418.880 4.934 0 1 HJAF O=C(c1cc2ccc(C(F)(F)F)cc2s1)n1ncc2ccc(Cl)cc2c1=O 587652094 WANOLSHAAMMBEC-UHFFFAOYSA-N 408.788 4.972 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O 587692027 JIIAHIKNFSBBMV-ZKANADHPSA-N 400.675 4.579 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1O 587696413 UHQGJJTYDZRYOC-CQLKUDPESA-N 400.675 4.579 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(F)F)N1 587719659 QYKJMDQLBGHNTK-YPMLDQLKSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587731091 JWLYPLSHOSQAFR-CFMSYZGJSA-N 403.270 4.933 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587738593 BNZYHZWHQHYFPE-ZSEKCTLFSA-N 421.354 4.672 0 1 HJAF CCC[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756893 SFLQYNXZJFPJKT-BUXKBTBVSA-N 415.347 4.643 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccccc2)N1 587763065 HRSFNBBSWVHFPK-MPBGBICISA-N 400.295 4.612 0 1 HJAF C[C@@]12CCN(C(=O)Cn3cnc4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 653795132 JOPYJOGKZZNQSP-SXOMAYOGSA-N 422.532 4.573 0 1 HJAF Cc1cc(C)cc(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)c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c1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)cc1 26640704 LTECCECZZZMLGF-UHFFFAOYSA-N 413.318 4.583 0 1 HJAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2cccc(C(F)(F)F)c2)CO3)c1C 73162083 XYOQQHFNJRSRQD-MRXNPFEDSA-N 423.435 4.881 0 1 HJAF CC(C)(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82186074 KUNYCNNUNXLACD-UHFFFAOYSA-N 424.568 4.652 0 1 HJAF Cc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CCc2ccccn2)o1 82190467 ZNVKDZVEJOCECC-UHFFFAOYSA-N 416.510 4.706 0 1 HJAF Cc1cc(-c2cc(F)c(O)c(F)c2)c(OCCO)c(-c2cc(F)c(O)c(F)c2)c1 95582992 ZJXUSMRHZLECTP-UHFFFAOYSA-N 408.347 4.668 0 1 HJAF COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4C)CC3)c2cc1OC 96284501 QAHFFKCDOYHKTJ-UHFFFAOYSA-N 418.541 4.550 0 1 HJAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1c(-c2ccc(Cl)cc2)noc1C 100055180 KCEFIKWFDPJMGZ-KETZHDHUSA-N 416.861 4.725 0 1 HJAF Cc1oc(-c2cccc(Br)c2)nc1CSc1nc2cc[nH]cc-2n1 103901661 QARGQGPOODOUIM-UHFFFAOYSA-N 401.289 4.928 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1 114107287 YVFHLKXOZXRICD-UHFFFAOYSA-N 414.362 4.508 0 1 HJAF CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc21 118320401 NHEYHWKFXOLIOV-UHFFFAOYSA-N 415.280 4.672 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2cccc3c2CNC(=O)N3C)c2ccccc2O1 143321635 RBLKZHUVUSUUFY-GOSISDBHSA-N 408.502 4.550 0 1 HJAF CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(C)c4cc(Cl)ccc43)C2)cc1 169699805 SKMNJYKOKQVDLM-QGZVFWFLSA-N 418.946 4.638 0 1 HJAF CC1(C)OC(=O)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586906009 BKAVUXVHVGUKGR-AWEZNQCLSA-N 417.387 4.643 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(O)c4[nH]3)c(=O)oc2c1C 586917823 KJDJFHRQFREJPC-UHFFFAOYSA-N 404.466 4.928 0 1 HJAF Cc1nc(Br)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587010635 FVYYGINESGQELD-UHFFFAOYSA-N 408.506 4.568 0 1 HJAF FC(F)(F)CSc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccn1 587090922 BTJHPYCVCBYTTF-UHFFFAOYSA-N 413.734 4.693 0 1 HJAF CC(=O)Nc1cccc(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104647 SSPDMVSPPGMZFF-UHFFFAOYSA-N 406.441 4.830 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(C(C)(C)Br)O2 587382737 ULQFMLBPPSXBJS-IBGZPJMESA-N 410.258 4.890 0 1 HJAF CCOC(=O)c1sc(SC)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587411539 CZSKFQQYRUQKSH-OAQYLSRUSA-N 417.552 4.734 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](Cc1cccnc1)(c1ccc(OC)cc1)CC2=O 587489570 MRKMAWFXOSAFRM-RUZDIDTESA-N 403.478 4.852 0 1 HJAF Cc1nc(O)c(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505891 WHARNVTVHXXGJB-FQEVSTJZSA-N 402.288 4.618 0 1 HJAF C[C@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553624 FYKBWGCVRICLAF-YLJYHZDGSA-N 401.340 4.683 0 1 HJAF CC(C)[C@@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587516 OFTUKVCINZXRNA-YKSBVNFPSA-N 417.417 4.752 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cn2)N1 587714202 OQOLAQCIMDHLDA-JDNHERCYSA-N 403.217 4.800 0 1 HJAF COC[C@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587723810 CIUJMBHOANTKFB-XTZNXHDOSA-N 416.693 4.805 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@]2(c3cccc(F)c3)CCOC2)N1 587729549 HIABMWQQMZTROV-OITMNORJSA-N 408.286 4.661 0 1 HJAF O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)N2c1ccc(Cl)cc1 653850658 AFOWHSAQJAFJAS-NRFANRHFSA-N 410.260 4.997 0 1 HJAF COC(=O)C1=C[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(Cl)ccc2O1 962671645 UFLZTUFPGHYYTO-VWLOTQADSA-N 417.892 4.846 0 1 HJAF O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12c1ccsc1CCN2Cc1cccnc1 962990298 BJJSRMSSLISEOR-FQEVSTJZSA-N 416.333 4.704 0 1 HJAF Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)c(C(=O)NC3CCCCC3)n2c1 1857575378 KSPLLOFYPUUUET-UHFFFAOYSA-N 410.905 4.611 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CCC4=C5C[C@H](O)[C@@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@H]3CN2C1 2356381974 IHUAQEBWORFLGF-QEFOBXOKSA-N 411.630 4.836 0 1 HJAF CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356503837 UVOTXHBDYFWIBF-MDLMHBAVSA-N 416.558 4.629 0 1 HJAF CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 770060 YTLLVMLJCGRYJL-UKILVPOCSA-N 413.521 4.600 0 1 HJAF CCOc1ccccc1NC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 8611681 JHDLYXNDWOFTEM-UHFFFAOYSA-N 415.493 4.610 0 1 HJAF Cc1ccc2c(c1)-c1cc([C@@H]3COc4cc(O)cc(O)c4C3=O)c(O)cc1OC2(C)C 14765181 FOTMMTHXQRWJIH-KRWDZBQOSA-N 418.445 4.765 0 1 HJAF biogenic N[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12 14957564 ZTSGMPMNVIVHKB-IBGZPJMESA-N 408.509 4.837 0 1 HJAF C[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)C(=O)O 14976897 XMIXAXLPZCFFCG-BQWNBIDXSA-N 406.607 4.724 0 1 HJAF COc1ccc(N2Cc3cc(C)cc(C)c3C2=N)cc1OCCN1CCC(C)CC1 28819829 YVRFLLKKXUHMAD-UHFFFAOYSA-N 407.558 4.768 0 1 HJAF CCCCc1nc(Cc2cccs2)c(/C=C/C(=O)O)n1Cc1ccc(C(=O)O)cc1 29552633 LXIPAQNXENDASD-VAWYXSNFSA-N 424.522 4.722 0 1 HJAF O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1cc2ccccc2[nH]1 40392790 COXCTPJELVOUEK-UHFFFAOYSA-N 413.389 4.632 0 1 HJAF COc1cc(/C=C(/C)[N+](=O)[O-])c(-c2ccccc2/C=C(/C)[N+](=O)[O-])c(OC)c1OC 40915932 YWAKNSAWOJGSKC-WGYBXSNTSA-N 414.414 4.654 0 1 HJAF CN(c1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@@H]1CCN(Cc2cccc(F)c2)C1 45190733 IUYQDDOYXKCDEA-XMMPIXPASA-N 421.491 4.928 0 1 HJAF CN(C)C[C@H]1CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2C1 72114397 BMCLCCGIUCWIFZ-IBGZPJMESA-N 420.578 4.821 0 1 HJAF Cc1cccc2ccc(N3CCC(Oc4ncccc4C4CCOCC4)CC3)nc12 96169016 BMUOAPOCYQXPLH-UHFFFAOYSA-N 403.526 4.880 0 1 HJAF CC[C@@H](NC(=O)c1cc(C(=O)Nc2c(C)noc2C)n2c1CCCC2)c1ccccc1 143900111 WFFXBSKPKLDAIW-LJQANCHMSA-N 420.513 4.563 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 215902656 BNGROQZZKLNDIO-RDTXWAMCSA-N 423.538 4.640 0 1 HJAF CCOC(=O)c1[nH]c(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586989408 HVZHBJZZTNSFDW-UHFFFAOYSA-N 412.445 4.940 0 1 HJAF Clc1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1Cl 586998857 QNKPLQRSJQDZSU-OWOJBTEDSA-N 413.058 4.926 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cs1 587019782 WGTQQUDGIUNXMM-UHFFFAOYSA-N 403.389 4.672 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587037681 WUICDPYDIHZQSK-HNNXBMFYSA-N 423.357 4.942 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085341 PMERNOUZAZMQND-UHFFFAOYSA-N 414.918 4.510 0 1 HJAF CCOC(=O)c1cnn(-c2ccc(-c3nc4c(F)cccc4[nH]3)cc2)c1C(F)(F)F 587114518 DBMHJTDTOPWLDW-UHFFFAOYSA-N 418.350 4.750 0 1 HJAF Fc1ccc(I)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587183166 VATAHZIFLGECPD-UHFFFAOYSA-N 408.001 4.675 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)C(C)(C)C 587204820 MATJGTSYUYMYPH-GFCCVEGCSA-N 412.328 4.513 0 1 HJAF C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356579 KFRAQUIVRUMHQC-LADGPHEKSA-N 406.409 4.577 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)CC3CCCCC3)c1)O2 587410342 QWLIUPOUQWGNNA-QFIPXVFZSA-N 413.539 4.638 0 1 HJAF O=C(O)c1cccc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587613265 XTXBSEILUVYPGX-ZJSXRUAMSA-N 412.397 4.947 0 1 HJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc2O1 587617655 QDNJBRWDETYEQA-HYBUGGRVSA-N 404.418 4.516 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N(C)C2CC2)N1 587732583 ODSJUZGHLSGXAU-BIBXISHDSA-N 407.302 4.950 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587773537 ZKMDJSLKRYUDJD-MCMMXHMISA-N 424.317 4.994 0 1 HJAF CC[C@]1(c2ccc(OC)cc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804948 DSLLXOLMTDVULK-FKIZINRSSA-N 408.311 4.793 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCOCC2)N1 587837116 ZLQROXGGPQBOGO-SZNDQCEHSA-N 404.323 4.793 0 1 HJAF COc1ccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC 587925462 ARPIUJCUBLDPEX-UHFFFAOYSA-N 405.292 4.721 0 1 HJAF O=C1Nc2ccccc2[C@]12ON=C(c1cccc(Cl)c1)N2c1cccc(Cl)c1 653851619 FNRXBJRPYMSTFQ-NRFANRHFSA-N 410.260 4.997 0 1 HJAF O=C1Nc2c(ccc(Cl)c2Cl)[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961614823 MCJKKLVOIBMTMW-SFHVURJKSA-N 424.125 4.630 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1c3ccnc-3[nH]cc1C(F)(F)F)N(C)[C@@H](C)C2 962642604 WCGKCOYWPRULRL-VOJFVSQTSA-N 405.420 4.516 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(CC(=O)Nc2cc(Cl)ccc2OC)N1 962961234 TWLRBDIAZAWXMZ-WNSKOXEYSA-N 411.933 4.998 0 1 HJAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1F 1857553080 VWDYRRQPRSXXKK-UHFFFAOYSA-N 413.374 4.917 0 1 HJAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@](N)(CCCO)C2 2356354836 BAHKPRCIMGABLL-ZACHVALMSA-N 401.591 4.559 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@H]1CCC2=O 2356729635 XSVDHLSLBYJBSG-UQGPTIMOSA-N 418.518 4.643 0 1 HJAF O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)on1 61908286 JAIIUBVBRFLDEX-CYBMUJFWSA-N 415.902 4.662 0 3 HJAF O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4208092 RAGVNJAZKKKNJV-FYYLOGMGSA-N 420.896 4.627 0 1 HJAF CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)O[C@](C)(CO)C=C5)ccc2O1 14825205 FECHDMKKULRSDG-VWLOTQADSA-N 418.445 4.506 0 1 HJAF biogenic Cc1ccc(C(C)(C)C)c(S[C@H]2C(=O)C[C@H](CCc3ccc(O)cc3)OC2=O)c1 14943563 OECDNPOMGNJUPW-AVRDEDQJSA-N 412.551 4.976 0 1 HJAF CC(C)N1CCC[C@H](n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1 28862328 BWMGZQWVZZKPMM-KRWDZBQOSA-N 417.962 4.568 0 1 HJAF CCCC(=O)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 28948780 SGTQZPDGIYARBM-UHFFFAOYSA-N 414.552 4.753 0 1 HJAF C[C@@H](Nc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 29131737 CCZASVSAEXZSCZ-CYBMUJFWSA-N 421.444 4.739 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)c(C)c1)c1cccs1 35259318 FBOSACKSMJIGGY-MRXNPFEDSA-N 404.808 4.817 0 1 HJAF Cc1ccc2c(CC(=O)Nc3nc4cc(Cl)c(F)cc4s3)cc(=O)oc2c1C 71334940 INUNWABPUCUUAU-UHFFFAOYSA-N 416.861 4.993 0 1 HJAF O=C(N1CCCCC1)N1CC(O[C@@H](c2cccc(Cl)c2)c2cccnc2Cl)C1 73279006 ZKRZIFDRMIOIOH-IBGZPJMESA-N 420.340 4.785 0 1 HJAF Brc1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccccc1 95577288 FLHVZELOGJPFAR-UHFFFAOYSA-N 424.327 4.779 0 1 HJAF c1ccc(-c2csc3[nH]nc(N4[C@H]5CC[C@H]4CC(OCCN4CCCC4)C5)c23)cc1 147692824 YIZKAKCKVFDBQC-OALUTQOASA-N 422.598 4.904 0 1 HJAF Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F 202949573 VVCVRVUPFSJFRH-FQEVSTJZSA-N 409.427 4.796 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cccc(Cl)c1 203880846 LFYWBBGZOCKMAU-IBGZPJMESA-N 424.884 4.665 0 1 HJAF Clc1ccc(OCc2cccnc2)nc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226053048 HKIMRQWFGAKZQN-MRXNPFEDSA-N 419.916 4.719 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](OC(C)=O)C[C@H]1[C@H]3CC[C@H](C(C)=O)[C@@]3(C)CC[C@H]12 255193366 AGNUMQPIOAPNHN-OCSQVVQMSA-N 418.574 4.708 0 1 HJAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C 255272145 UTMAHFHENBGQND-PENGMQOCSA-N 416.694 4.934 0 1 HJAF C[C@@H]1[C@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 299875403 CWEFIDFCCGQNNT-IHLUGKFPSA-N 422.548 4.905 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586988429 RGLKFSZSTSSOOK-WBMJQRKESA-N 414.461 4.931 0 1 HJAF Cc1cc2c(Br)ccc(-c3nc4nc(Br)c[nH]c-4n3)c2o1 587003637 KUFCJHOWZPNYIV-UHFFFAOYSA-N 408.053 4.551 0 1 HJAF Oc1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005438 WDMBKBUTOSLHOY-UHFFFAOYSA-N 403.461 4.509 0 1 HJAF CC1=C(c2ccc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3c2)NNC(=O)C1 587084317 YFNSXFWKHOSFND-UHFFFAOYSA-N 415.884 4.701 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116116 OICAADGEXUBNOC-UHFFFAOYSA-N 408.181 4.658 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(C3CC(F)(c4cccc(F)c4)C3)nc-2[nH]1 587131344 GEAILQDKBKDQOW-UHFFFAOYSA-N 407.424 4.504 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2c1OC 587152810 RILURIOJZDZFBR-UHFFFAOYSA-N 424.403 4.979 0 1 HJAF Fc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c(F)c1F 587182606 LKHNXNIFZMNYAZ-UHFFFAOYSA-N 408.548 4.905 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587203266 KFOQJBWXOKDFKU-UHFFFAOYSA-N 420.391 4.979 0 1 HJAF CC[C@H]1CN=C(Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1 587451280 JTYRBWYJTBXBGC-YZZKKUAISA-N 408.523 4.651 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587456739 XXLKULJANCWZKP-CLLDFNAGSA-N 414.457 4.871 0 1 HJAF Nc1ncc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534551 CIQBENUXNCQLTI-JOCHJYFZSA-N 410.926 5.167 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cccc(Br)c12 587546515 OGPAQLVSFJTEGI-UGKGYDQZSA-N 423.262 4.958 0 1 HJAF O=C(NCc1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657744 ZBVUIEUKGGFXBE-UHFFFAOYSA-N 407.832 4.614 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1 587746680 NXPOHHHIBWMIIH-GIPWTMENSA-N 405.311 4.509 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 587871498 JQIHRQDFDRGMJX-SFHVURJKSA-N 419.497 4.668 0 1 HJAF Cc1c(F)ccc2c1[C@](C)(C[C@](N)(c1cccc(Cl)c1)C(F)(F)F)NCC2 962297551 JUZRSDQQUCOIBV-OALUTQOASA-N 400.847 4.955 0 1 HJAF Cc1cc2c(cc1F)[C@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(C)C)C1)NCC2 962377588 RVLRLVYQXWAGEM-ILBGXUMGSA-N 410.533 4.932 0 1 HJAF COc1cccc([C@]2(CC(=O)C(F)F)c3ccsc3CCN2Cc2ccco2)c1 962700166 CDTIIFGWIWTJHJ-JOCHJYFZSA-N 417.477 4.876 0 1 HJAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(C=Cc3cccc4cccc2c34)N1 962705302 VVIXWVHXHSIYJE-DENIHFKCSA-N 413.370 4.867 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](Cc2ccccc2)(C2CC2)N1 963178405 JUTRELSKROVDLS-AZUAARDMSA-N 409.835 4.806 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](CCOc2ccc(Cl)c(Cl)c2)N1 963233548 OWXOHWVDLQTQOG-UXHICEINSA-N 417.292 4.651 0 1 HJAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc4nc(O)[nH]c4c3)cc1)CC2 1857544440 IDHWWNQNFGCFHL-UHFFFAOYSA-N 415.493 4.511 0 1 HJAF COc1ccc(NC(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cc1 1911585499 RKESMTZSFHLEGD-UHFFFAOYSA-N 422.391 4.725 0 1 HJAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(O)cc(C)c(C=O)c2O3)C1(C)C 2356334298 DBXHPZZOVLNOBW-GOVVKAHYSA-N 414.542 4.991 0 1 HJAF CC(=O)O[C@@H]1c2c(C)coc2CC(C)=CCC[C@@H](C)[C@H]2CC[C@@](C)(O2)[C@@H]1OC(C)=O 2356555175 KUTORQUTGLZWRR-YYEGVTEESA-N 418.530 4.980 0 1 HJAF FC(F)(F)c1cccc(Cc2noc(CN3CCCC[C@H]3c3ccccn3)n2)c1 12430275 XIXFNAVEGGOTDD-SFHVURJKSA-N 402.420 4.801 0 3 HJAF CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2ccsc2)cc1OC 13741648 VYZGMIXVYWVIRT-UHFFFAOYSA-N 422.567 4.649 0 1 HJAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c(Br)cc(C)cc32)cc1OC 26671027 UFDKBKNQRNPMCW-QGZVFWFLSA-N 415.331 4.686 0 1 HJAF Cc1cccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 26951874 OEHMLOUHECZJOD-REYXBCNVSA-N 406.570 4.847 0 1 HJAF NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 28822101 YUTVMUJGADQCQJ-UHFFFAOYSA-N 409.755 4.605 0 1 HJAF Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1C 29059200 WBEUFVNHMSNWDT-UHFFFAOYSA-N 412.511 4.951 0 1 HJAF CC(C)N(CC[C@@](CCN(C)C1CCCCC1)(C(N)=O)c1ccccc1F)C(C)C 39254154 YHZDSEXETFENEN-RUZDIDTESA-N 419.629 4.712 0 1 HJAF CC1(C)C[C@]2(CN(Cc3ccc(Br)cc3)CCO2)c2ccccc2O1 40862414 GBDLKBIKHVRAAO-NRFANRHFSA-N 402.332 4.738 0 1 HJAF Cc1cc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c2ccccc2n1 72103012 UFRBXTATZZRPSI-UHFFFAOYSA-N 402.473 4.660 0 1 HJAF COP(=O)(OC)[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1 73220173 CHZZDTKZVMBVDU-IBGZPJMESA-N 411.822 4.637 0 1 HJAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCc2ccccc2)c1 82146582 MFUMPFYVFKSRDL-PMACEKPBSA-N 414.553 4.864 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc4ncccc4c3)C[C@@H]1O2 84633926 BFGRYOIADBDHOF-MTJJIEKYSA-N 416.521 4.867 0 1 HJAF CC(C)(C)CCN1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166076790 XKYFDGSJGZJWLN-UHFFFAOYSA-N 422.573 4.909 0 1 HJAF CCCCCC[C@@H](C[C@H]1OCO[C@@H]1CCCCCCCC(=O)OC)OC(C)=O 169306949 YCBXTQVGRHXKBE-PWRODBHTSA-N 400.556 4.924 0 1 HJAF COc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 218904476 JZJOVWDRWUGWOF-UHFFFAOYSA-N 417.383 4.855 0 1 HJAF Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 220945888 WRRRUTZYQAQDCB-QGZVFWFLSA-N 413.481 4.778 0 1 HJAF NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cncc(-c3ccccc3)c2)CC1 299871202 YBGBRIXNKBFHTK-WHSBFGAESA-N 413.565 4.914 0 1 HJAF COc1cc(-c2nccc3c2N[C@H](c2cccc4cc[nH]c24)N3)cc(OC)c1OC 473172854 ZGZUNPNSGYAEEU-HSZRJFAPSA-N 402.454 4.792 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1 586922538 VXAKDTCYKUUUAY-UHFFFAOYSA-N 418.305 4.906 0 1 HJAF O=[S@@](CCCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1 586961228 SYQHJNCWETXRLO-VWLOTQADSA-N 417.372 4.945 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Cl)c(C)c2[nH]1 586979364 BFPGFEIANIICLJ-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cnc(Cl)[nH]c-4n3)c(Cl)cc12 587078083 HEOMQYNHPGQNJQ-SECBINFHSA-N 419.268 4.810 0 1 HJAF Cc1cnc(Cl)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 587117980 YRGRILOQGUSGSY-UHFFFAOYSA-N 404.223 4.909 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cc2F)c1 587143549 IJMFUIADMWHNNL-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF CCCOc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587164652 YOBNOYHNLKXXHY-SFHVURJKSA-N 406.299 4.904 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C[C@@H]1C)CC2=O 587474654 GXFNPEPJQSIRJJ-SSOJOUAXSA-N 423.509 4.727 0 1 HJAF COC(=O)c1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587548368 WKBRZPPRSZPUBH-GHTZIAJQSA-N 410.809 4.535 0 1 HJAF CC(=O)Oc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600600 OMVBCJSDHPHYRT-ZJSXRUAMSA-N 404.418 4.637 0 1 HJAF CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706748 RANOSUDTMDVFSF-MGPLVRAMSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3F)c2)N1 587727943 QGTGFKMXARCWCR-MPBGBICISA-N 418.285 4.711 0 1 HJAF COc1ccc2c(c1)cc([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)n2C 587753525 AYUBNJJDQCCCTG-BIBXISHDSA-N 403.295 4.712 0 1 HJAF Cc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587796149 PKLQEPZFMZIFOA-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccnc3)s2)N1 587857310 ZOZBOALWPCWCGX-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN(C)C)o1 587859276 UWRCYRBZCHLVHE-UHFFFAOYSA-N 408.285 4.599 0 1 HJAF Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963099571 ICRRNNIJUMIASV-XXBNENTESA-N 414.484 4.659 0 1 HJAF COc1ccc2cc1Oc1cc(ccc1OC)CC[C@H](NCCN(C)C)CCCC2 1857608938 FYRUUZQFWKFLCS-OAQYLSRUSA-N 412.574 4.675 0 1 HJAF CCCCN(C)C(=O)c1ccc(Nc2nc([C@H](N)CCc3ccccc3)cs2)nc1 61905642 NPSBIQMUFSXOMD-LJQANCHMSA-N 423.586 4.786 0 3 HJAF COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 5714670 AGCUNNGZFILFIJ-YIRPVQGGSA-N 422.569 4.833 0 1 HJAF Cc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCCC4=O)cc3)ccc12 28964196 ZRUOGDLLXUDOMG-UHFFFAOYSA-N 410.521 4.977 0 1 HJAF CC(C)[C@@H]1C[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40860567 SYGZEVSXMXZNJX-KGLIPLIRSA-N 422.620 4.684 0 1 HJAF O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 40972711 SHOUTWIQZOXPRB-UHFFFAOYSA-N 405.479 4.504 0 1 HJAF C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O)C(=O)O 43587533 XMIXAXLPZCFFCG-GQKAWKBMSA-N 406.607 4.724 0 1 HJAF C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1 45186623 VJAGNNIRAWQKLQ-IBGZPJMESA-N 403.501 4.789 0 1 HJAF CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)CC1 82139332 QALAJPOICKWSRR-UHFFFAOYSA-N 410.537 4.829 0 1 HJAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccc(Cl)cc3)CC2)c1 103291408 KWUJXWJRABKGEP-UHFFFAOYSA-N 409.917 4.883 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167573931 JXRMUCFYWOMUCA-CRAIPNDOSA-N 423.538 4.640 0 1 HJAF O=C(c1cnccc1Oc1ccc2[nH]ccc2c1)N1CCN(C2CC2)c2ccccc21 169349698 KFXAELCMIDEFKA-UHFFFAOYSA-N 410.477 4.984 0 1 HJAF CCCCCCN1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 169355847 LUIVVVBAKNBNNR-BHIFYINESA-N 402.970 4.738 0 1 HJAF O[C@@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1 218398599 ARGAUQJHHDVCOA-XMMPIXPASA-N 410.517 4.700 0 1 HJAF COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCCC(C)=C5C[C@H]43)c2c1 504789429 FGIKHFZJZSAPJO-ROBHXDBVSA-N 422.569 4.767 0 1 HJAF biogenic FC(F)(F)c1cc(Cl)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587006758 RORCQTKNOVDAPZ-UHFFFAOYSA-N 416.588 4.707 0 1 HJAF OCc1ccc(F)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587141176 YSAZVKZXMQHZPS-UHFFFAOYSA-N 405.145 4.522 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(C)(C)C 587202587 BLYUFASTNISVJK-CYBMUJFWSA-N 414.319 4.946 0 1 HJAF C[C@@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329032 BXDQHJUABSXGBO-NQIIRXRSSA-N 401.796 4.993 0 1 HJAF Cn1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 587613803 QJRFMWCKTGNAHC-KNQAVFIVSA-N 404.447 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Br)c2)N1 587675292 AUZNSMKGOGEIPE-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF Cc1nccn1-c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758862 YMJMPHBDSPSMRB-MPBGBICISA-N 400.295 4.706 0 1 HJAF Cc1nccn1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587759254 ZTFZEZUIWUKRDF-MPBGBICISA-N 400.295 4.706 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O 587772762 WGWHXKVQLNNISQ-GIPWTMENSA-N 401.279 4.585 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798501 OOTAKLCCZYQPLT-UHYGZKCKSA-N 400.332 4.563 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 587871256 DSNAFYPDXONIQN-LIRRHRJNSA-N 419.497 4.668 0 1 HJAF COC(=O)c1cc(-n2c(O)cc(-c3ccccc3)c2O)c(Cl)cc1Br 587936820 LILNSYAVNWAJSU-UHFFFAOYSA-N 422.662 4.758 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cnc(-c2cccnc2)s1 963289250 KKQCHIDJZQASEL-IBGZPJMESA-N 400.345 4.719 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccc(C)n1)c1ccccc1Cl 963612729 TXGGLFQTKMHSBS-VOIUYBSRSA-N 408.929 4.887 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(F)c3)n3c2CCO[C@H](C)C3)ccn1 1772575554 CGZMAVIBDSBEED-CYBMUJFWSA-N 403.404 4.622 0 1 HJAF O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)Nc1ccc2ccccc2c1 1857595442 JMSPGAINXGWMRS-UHFFFAOYSA-N 421.456 4.761 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@@]2C[C@H]2C)cc1Cl 1857612572 DRKZJUOFSWGWDD-ASSNKEHSSA-N 406.375 4.624 0 1 HJAF CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 61936143 OTNDGINEQVCDCV-NLSIXXNJSA-N 417.707 4.910 0 3 HJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)O[C@@H](C)[C@H](C)C2=O 13382716 GDBZTZISXRIMID-RLFYNMQTSA-N 406.478 4.942 0 1 HJAF biogenic CCCCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccc(Cl)cc1 28236101 KDOBEIBLLULEFS-UHFFFAOYSA-N 424.372 4.616 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@]4(OC(=O)c5ccccc5)CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 28524033 OSYWTSQHPJGAAD-BAMCCZTMSA-N 410.554 4.939 0 1 HJAF CC(=O)OCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528824 HOXDQBJIZIWTNT-UHFFFAOYSA-N 407.489 4.625 0 1 HJAF COc1ccc(CSc2nnc(-c3ccc4nccn4c3)o2)cc1C(F)(F)F 42201483 FZPTZOVFNDKTMT-UHFFFAOYSA-N 406.389 4.704 0 1 HJAF COc1ccccc1Sc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1 71296693 IFFOQWGNQOQYNR-UHFFFAOYSA-N 408.508 4.872 0 1 HJAF CN1CCC[C@@H]1COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82075125 KBFDKBURMCTMDJ-CYBMUJFWSA-N 422.325 4.630 0 1 HJAF O=C(NCc1ccccc1)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82152554 HTGCTRZCSDUUFE-UHFFFAOYSA-N 404.489 4.957 0 1 HJAF CC(=O)Nc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1 95584031 JLFUKRVOPOHPCN-UHFFFAOYSA-N 413.481 4.997 0 1 HJAF COC(=O)[C@H](C)n1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 103177934 BPJLCCHDWWLUIH-QMMMGPOBSA-N 417.746 4.769 0 1 HJAF COc1ccc(CCNC(=O)/C=C(\c2ccncc2)c2ccc(C)c(C)c2)cc1OC 103185957 TXBQAXBPPVBGEW-HAVVHWLPSA-N 416.521 4.506 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713518 GZGRNURZGJTHEM-DKJCVDEQSA-N 402.623 4.725 0 1 HJAF N=C(CC1CCCCC1)[P@@](=O)(O)C[C@@H](Cc1ccc(F)c(Cl)c1)C(=O)O 169718198 WTIKZAZXXGEFKR-CQSZACIVSA-N 403.818 4.940 0 1 HJAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 169723969 WJKWBWWNWDKSJT-NVXWUHKLSA-N 411.420 4.668 0 1 HJAF COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2c2ccc(C(=O)O)cc2)cc1 203670274 SGXGRYNXXLPGLY-QFIPXVFZSA-N 402.450 4.758 0 1 HJAF O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261107334 HOMQYYYMDXLYHT-XYWHTSSQSA-N 424.585 4.714 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)cnc4[nH]3)c(=O)oc2c1C 586917742 IEXVPNKFRCRFQK-UHFFFAOYSA-N 407.445 4.756 0 1 HJAF CC(C)CCOc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br 586959374 NONLICJOMGNICZ-UHFFFAOYSA-N 415.353 4.803 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586987855 SSEDFMQLUSPJNS-MRXNPFEDSA-N 402.450 4.664 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(NNc1ccc(F)cc1)=CC3 586989102 WOMGOKJBOADTNZ-UHFFFAOYSA-N 423.447 4.890 0 1 HJAF CCOC(=O)C(F)(F)[C@H]1CCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 586992595 HSFGKLULUVTEIV-INIZCTEOSA-N 407.416 4.983 0 1 HJAF Cc1onc(-c2nc3nccc(Br)c3[nH]2)c1COc1ccccc1Cl 587063791 XKJJLOJNGBUTMV-UHFFFAOYSA-N 419.666 4.916 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cnc(Cl)[nH]c-2n1 587086336 GFKHHWCEULQTQG-SREVYHEPSA-N 419.703 4.988 0 1 HJAF C[C@@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350580 XCFUBZKXVLHXKJ-UPVQGACJSA-N 400.409 4.749 0 1 HJAF CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587372139 DXHODSCUIJUSFF-UGKGYDQZSA-N 410.470 4.626 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(-c5ccccc5F)sc41)[C@@H](C2)C3=O 587426760 PPXFLMFBVBONFD-NPMXOYFQSA-N 407.466 4.937 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CN(C(c4ccccc4)c4ccccc4)[C@H]1C)[C@@H](C2)C3=O 587439098 TVAOAIZMPAEFDA-KVFJWPORSA-N 411.501 4.675 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(Br)c1 587538838 GVSPICKTIIOEOE-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551559 GVVYILOFIIAFHI-RXVVDRJESA-N 412.873 4.909 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602340 JIZVBYOEAWIUNN-DHLKQENFSA-N 416.429 4.674 0 1 HJAF C/C(=C/[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587613096 NLFBOBUKKMYABL-SIVGOXOUSA-N 407.491 4.776 0 1 HJAF COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587712202 ZZETYGNMTLELSX-QGHHPUGFSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCN(C)C)cc2)N1 587741528 OCXDSOCAOMOWKG-QKKBWIMNSA-N 421.354 4.542 0 1 HJAF CCCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587765197 BWPPPIKQXZXNKT-YEJXKQKISA-N 417.322 4.513 0 1 HJAF CC(C)c1ccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)cc1 587940042 HTBIUZDQLGOHBD-UHFFFAOYSA-N 417.259 4.535 0 1 HJAF O=C1Nc2ccccc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1ccc(Cl)cc1 653851539 IARPZZHTDUTKIM-NRFANRHFSA-N 410.260 4.997 0 1 HJAF O=C(O)CC[C@]1(c2ccccc2Cl)NC2(CC2)Cc2ccc(Br)cc21 961614925 OMZIPJUSMJMNAF-HXUWFJFHSA-N 420.734 4.889 0 1 HJAF Cc1c(F)cccc1[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187369 DNCBIUMHHTYZLI-KDOFPFPSSA-N 401.787 4.669 0 1 HJAF COc1cc(N(CC2CC2)c2cccc3ccccc23)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772640048 OFOPLMNREMYRND-WOJBJXKFSA-N 416.477 4.695 0 1 HJAF CN=c1[nH]c2cnc(-c3cccc(OC(F)(F)F)c3)cc2n1-c1cccc(F)c1 1857620548 LESHDGLFESONMP-UHFFFAOYSA-N 402.351 4.589 0 1 HJAF Cc1c(O)c(-c2c(O)c(C)c3c(c2O)CO[C@H](C)[C@@H]3C)c(O)c2c1[C@@H](C)[C@@H](C)OC2 2356751835 QQSDXJQCNPKBHF-DUBDDPSESA-N 414.498 4.837 0 1 HJAF CC(=O)Nc1cccc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)C2CC2)c1 95603350 RRNAZWGVIFDVMG-NRFANRHFSA-N 404.514 4.528 0 3 HJAF CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N(C)C 4204549 IERPPHIWEWLMCE-NOZRDPDXSA-N 414.505 4.932 0 1 HJAF CC(C)Nc1cccnc1N(C1CC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5963002 FYFDKVGQAJSRPL-UHFFFAOYSA-N 417.557 4.657 0 1 HJAF Cc1ccc(C(=N)N)cc1Oc1nc(Oc2cccc(N(C)C)c2)c(F)c(C)c1F 13474057 KICIDPJTNUUTPJ-UHFFFAOYSA-N 412.440 4.911 0 1 HJAF O=C(Nc1cccnc1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605257 ZNTVUPUUOXWCGX-PMERELPUSA-N 413.502 4.626 0 1 HJAF CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1Cc1ccc(S(N)(=O)=O)cc1 27987074 BELDESANQAGPSU-UHFFFAOYSA-N 409.575 4.584 0 1 HJAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(OC)cc(OC)c3)ccc21 35064574 ZKBKDICKJHNERR-UHFFFAOYSA-N 410.495 4.632 0 1 HJAF CC(C)=CCc1c(O)ccc2c1O[C@H]1c3cc(CCC(C)(C)O)c(O)cc3OC[C@@H]21 43070021 VTLAWTXYJBLWSZ-CYFREDJKSA-N 410.510 4.920 0 1 HJAF biogenic Cc1ccc(C(=O)c2[nH]c(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)cc1 45350674 NBFKBAHIFSQAPM-UHFFFAOYSA-N 411.461 4.695 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 82140923 LYJOEQOVLCXVPM-HNNXBMFYSA-N 410.468 4.605 0 1 HJAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)o1 103291315 UYIDPVOHOZRVJH-UHFFFAOYSA-N 415.415 4.631 0 1 HJAF O=C1NC[C@H](c2ccccc2)C12CCN([C@@H]1CCCC[C@H]1c1ccc(F)cc1)CC2 115317543 VIUIHCNTOLSYJT-RBZQAINGSA-N 406.545 4.848 0 1 HJAF COc1cncc(OC)c1[C@@H]1CCCCC(=O)N1Cc1csc(-c2ccccc2)n1 167399877 DYUYOWXBEMWBEC-SFHVURJKSA-N 423.538 4.866 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](C)CN(C)C 299874795 BYNGGFFMJBPNRX-VOBQZIQPSA-N 411.949 4.559 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](C)CN(C)C 299884559 UAGISAOBKPZBCO-JSNMRZPZSA-N 411.949 4.559 0 1 HJAF CC(C)COc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Br 586895686 TWQHPAQQJKWKPD-UHFFFAOYSA-N 407.352 4.945 0 1 HJAF Clc1ncc(I)c2nc(CCc3cc4ccccc4o3)[nH]c12 586902612 AOZMBDGOYXCPRK-UHFFFAOYSA-N 423.641 4.747 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586962105 UQUMIZDQWUDUDB-AGRHKRQWSA-N 417.481 4.536 0 1 HJAF Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1C 587107238 HYMULLOFFDQAAM-MRXNPFEDSA-N 423.460 4.724 0 1 HJAF N=c1[nH]c2nc(-c3cccc(CSc4cc(F)ccc4F)c3)nc-2c(Cl)[nH]1 587140551 CFGCKDNAFRPUKQ-UHFFFAOYSA-N 403.845 4.608 0 1 HJAF CN1CCN(c2ccc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3c2)CC1 587145479 LOFPEXSPNGGUJJ-UHFFFAOYSA-N 404.464 4.927 0 1 HJAF Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccc(Br)c3[nH]1)O2 587175348 YOAGKUOMQKFVHZ-LBPRGKRZSA-N 412.056 4.903 0 1 HJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)C 587376090 GVQQKNQVQAGNCO-KRWDZBQOSA-N 420.303 4.842 0 1 HJAF COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399951 NZRJUKQWIHWNBC-VWLOTQADSA-N 417.461 4.793 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](C2)C3=O 587418204 BFYIMESJYGYIJH-YVEFUNNKSA-N 413.189 4.965 0 1 HJAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O 587424557 ZRVJGXFUGXGNTQ-CBJTVTONSA-N 417.427 4.747 0 1 HJAF COCOc1cccc([C@]2(c3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587428046 LLVSPAURIMZBNS-BWKNWUBXSA-N 420.436 4.508 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)OC)c1)(C1CCCCC1)CC2=O 587482499 JFYUVYRKNOCTBR-DEOSSOPVSA-N 411.498 4.900 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc2c1OCOC2 587551742 JDLIMBWHNJETPE-XMSQKQJNSA-N 410.809 4.615 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2F)o1 587570780 YMCLDTVQHFVXOQ-XXBNENTESA-N 403.365 4.889 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2N)(C(F)(F)F)N1 587702634 FDAMKWYMFJKFQJ-VPTHRUTESA-N 421.207 4.650 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(C(F)(F)F)cs2)N1 587713034 MGYCIIDLMADORB-UOWDBTKRSA-N 409.246 4.861 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)nc2)N1 587766924 OYHVUZYRVRNJLO-RNODOKPDSA-N 404.327 4.597 0 1 HJAF CCOC(=O)C[C@@]1(CCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792786 CXFJINTUIJGOIY-ORAYPTAESA-N 400.332 4.707 0 1 HJAF COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC 587805673 HDDRWPHXQIYACP-GTJPDFRWSA-N 422.338 4.906 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587828007 NGYYQVLKDWGSJJ-LHSJRXKWSA-N 420.322 4.848 0 1 HJAF Cc1nc(-c2ccccc2)c([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962719334 XQUPTVPFDGXOMB-WMZOPIPTSA-N 402.441 4.854 0 1 HJAF Cc1ccc(OCc2ccccc2)c([C@@]2(C)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963018565 DJHKETKDGDSQFQ-DCFHFQCYSA-N 412.533 4.891 0 1 HJAF COc1cc(OC)c2c(C)c([C@@]3(C)NCCc4cnc5c(OC)cccc5c43)oc2c1 963028058 BPPLIGKBLSJPHU-VWLOTQADSA-N 418.493 4.724 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]31c2ccccc2C(=O)[C@H]1c1ccc(C)cc1 963072454 ZCQCYXLCSBHUQD-NAKRPHOHSA-N 420.512 4.921 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1C(=O)c1cc(C(=O)O)ccc12 963234336 VECHANWNAAODDM-XGCWNURASA-N 411.501 4.878 0 1 HJAF CC(C)[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CNC[C@@]12CCCc1ccccc12 1772645399 ZUIUWQIQNSLVIX-HDEUIXPWSA-N 416.609 4.911 0 1 HJAF C[C@H]1[C@@H]2CC[C@H](CO)CN2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356664297 PHPBOUSFBOILOX-VZGKAELFSA-N 413.646 4.627 0 1 HJAF O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccccc1-c1ccccc1 4968260 CWCJGBUCLVXTOD-UHFFFAOYSA-N 415.880 4.869 0 3 HJAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 15449248 OZZAYJQNMKMUSD-GUCZTKFNSA-N 416.558 4.931 0 1 HJAF COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCCc3ccccc3)C1)CC2 22930468 UMBXTZPQSFTDNC-DEOSSOPVSA-N 408.586 4.549 0 1 HJAF C[C@@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccccc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 27405975 BXNNFPHCTNPRQD-QGENRFSVSA-N 402.538 4.733 0 1 HJAF COc1cc(C)ccc1OC(=O)[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 28642416 LGVPDRCTJSOYKD-SIKLNZKXSA-N 423.553 4.902 0 1 HJAF COC(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 40379949 NFCMVAIYQLNHGO-ARDBEANASA-N 400.607 4.946 0 1 HJAF O=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 43201323 COZAMSMQQJIXFT-HXUWFJFHSA-N 422.506 4.641 0 1 HJAF O=C(c1ccc(Cn2ccc3ccc(Cl)cc32)cc1)N1CC[C@H](N2CCCC2)C1 45337668 HHPYIWPWLUUFOK-QFIPXVFZSA-N 407.945 4.653 0 1 HJAF CN(Cc1ccccc1Cl)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84729530 GXKCJNGRIAMMGM-UHFFFAOYSA-N 405.885 4.785 0 1 HJAF CCCC[C@@H]1CC(c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)=NO1 103216791 RJONDOVOHQQKOA-OAHLLOKOSA-N 401.413 4.610 0 1 HJAF COc1cc(Cl)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1 164998852 JOYSKMLFEFBTPY-UHFFFAOYSA-N 402.878 4.712 0 1 HJAF Clc1ccccc1Nc1nc(Nc2cc(C3CC3)[nH]n2)ncc1Br 203003480 YKLIHMPWTZLLMN-UHFFFAOYSA-N 405.687 4.980 0 1 HJAF c1ccc(-c2csc3n[nH]c(N4CCC[C@@H](COCCN5CCCC5)C4)c23)cc1 205819654 OHOPARNMSMAWHF-GOSISDBHSA-N 410.587 4.620 0 1 HJAF C[C@@H]1[C@@H]2CC[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]3(C)[C@H]12 255191402 AANKDJLVHZQCFG-NZPVSSSYSA-N 413.646 4.626 0 1 HJAF Oc1ccc(C2(c3nc4cc(Cl)cc(Br)c4[nH]3)CCOCC2)cc1 586912159 FKUYHPKIYRAEGN-UHFFFAOYSA-N 407.695 4.781 0 1 HJAF Cc1ccnc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c12 586983388 BSXNJXBTEAGHTL-UHFFFAOYSA-N 407.271 4.948 0 1 HJAF CC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O 586991055 QOIBVYXMCATNSZ-QFIPXVFZSA-N 423.424 4.571 0 1 HJAF Cc1c(-c2nc3c(C)c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029354 MUYBEHBPQHEUGM-UHFFFAOYSA-N 415.316 4.784 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl 587062132 UHLYEARVYMWXJG-HWPZZCPQSA-N 409.704 4.995 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587085548 ZEGLVFOLJIRLEP-UHFFFAOYSA-N 416.662 4.981 0 1 HJAF COC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587110630 DNSVJWVNBUEZQL-UHFFFAOYSA-N 417.309 4.567 0 1 HJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587113992 PXHFFGJRWYHFTE-OAHLLOKOSA-N 402.464 4.680 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(Cc4cccc(NC(C)=O)c4)[nH]c3c2)cc1 587241877 CHFLMOOIHAKGSI-UHFFFAOYSA-N 415.449 4.691 0 1 HJAF CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587372137 DXHODSCUIJUSFF-SIKLNZKXSA-N 410.470 4.626 0 1 HJAF CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587408348 FRPUOOZRKMHHRP-SWHMAYCHSA-N 411.523 4.661 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418828 DBTJRQUQIKHVRT-SUMWQHHRSA-N 413.189 4.965 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)cc4F)cc1)[C@@H](C2)C3=O 587427357 SXUNREZSYPMHBU-FDDCHVKYSA-N 404.393 4.688 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccccc1C(=O)O)CC2=O 587482937 OYZUHTXWRVNJHF-VWLOTQADSA-N 418.445 4.658 0 1 HJAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592534 ADZREZMTWMMLKH-CQIZUEJFSA-N 424.493 4.728 0 1 HJAF CCOC(=O)C[C@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599404 XFCSPJQWZQFKOO-QPPBQGQZSA-N 412.482 4.872 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2)N1 587675957 CDXWTPDILCSXIS-ZKANADHPSA-N 415.100 4.680 0 1 HJAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C 587758136 PTMNEJSQRFAQNY-GTJPDFRWSA-N 414.322 4.921 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3cnccn3)c2)N1 587771825 DHXIFGDRNDNUQZ-ODXCJYRJSA-N 414.278 4.794 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794053 SNMVDJARNUSUIS-CFMSYZGJSA-N 423.326 4.673 0 1 HJAF C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587839688 UKHJFJLDKNBAPW-XAAFQQQXSA-N 422.294 4.534 0 1 HJAF COc1cccc(C2(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CCCC2)c1 587930705 JQXAZSNPXJHETR-UHFFFAOYSA-N 415.287 4.892 0 1 HJAF CCOc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1OCC=C(C)C 963037786 WBPNROIXQMNQIH-BVZFJXPGSA-N 406.526 4.573 0 1 HJAF Cc1ccnc2c1CCN[C@@]2(c1ccc(C2OCCO2)s1)c1ccccc1Cl 963071777 LABWOWVQBYHDEQ-JOCHJYFZSA-N 412.942 4.588 0 1 HJAF COc1ccc2c(c1)SCc1cnc(Nc3cc(OC)c(OC)c(OC)c3)nc1-2 1857766736 NWKGWZQDSLNWBX-UHFFFAOYSA-N 411.483 4.527 0 1 HJAF O[C@@H]1CN2CCCCCCC=CCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 2356446851 HHMDHZQGNZVLBL-XQDVFQCSSA-N 410.646 4.937 0 1 HJAF CC(C)c1cc(-c2cccnc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 3777262 JTECTVWAYXWKMC-NHCUHLMSSA-N 422.500 4.936 0 1 HJAF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5383424 QMBJSIBWORFWQT-YRPZOVBESA-N 404.934 4.752 0 1 HJAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@H](C(F)(F)F)CC2 22450663 WLOMELCAKGDPJO-URVUXULASA-N 404.476 4.870 0 1 HJAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCNC1=O 26268551 VLNXVOXUHLYOHH-SANMLTNESA-N 401.428 4.718 0 1 HJAF FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21 28644213 LTOAYRNDJJBZJM-UHFFFAOYSA-N 410.403 4.530 0 1 HJAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccnc2)cc1 40406974 JYIJWNFSCMYZSG-UHFFFAOYSA-N 409.489 4.996 0 1 HJAF CN1CCN(c2ccc3[nH]c(-c4ccccc4)c(Cc4ccccc4)c(=O)c3c2)CC1 72114192 DAPRYOYCGQQYRI-UHFFFAOYSA-N 409.533 4.538 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1 139499375 ULRZEXNCMHFJNG-ZWKOTPCHSA-N 413.477 5.000 0 1 HJAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 166803251 NPKJTUYDYQQLQJ-ACJLOTCBSA-N 411.502 4.771 0 1 HJAF O=C(NCCc1ccccc1Cl)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167011179 NRTCMPPNYFHBOJ-UHFFFAOYSA-N 419.912 4.860 0 1 HJAF Cc1ccc(-n2c(O)c3c(c2O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 169688650 OLRCVLNULHHKPI-FXAWDEMLSA-N 408.885 4.925 0 1 HJAF O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(Cl)c(Cl)c1 299860324 GMCVIBDVLCHMNN-UHFFFAOYSA-N 403.313 4.691 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccccc3OCc3cscn3)nc1-2 587029080 HBXRGRRAWJOFNP-UHFFFAOYSA-N 411.796 4.679 0 1 HJAF C[C@H]1CCc2sc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)cc2C1 587033617 KVPIXBYWXPWWGG-VIFPVBQESA-N 400.447 4.710 0 1 HJAF CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587103795 LLMCOBOPAZESLW-ZDUSSCGKSA-N 407.416 4.750 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)nc(C)cc3[nH]2)c1C 587166426 ZLMAGJQBPKQTGW-UHFFFAOYSA-N 420.488 4.910 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCOC2)[C@@H]1c1ccc(F)cc1 587356338 JJMSHBJYMPIGHK-XYURVEJXSA-N 404.437 4.822 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O 587435492 ICNRMPCGEVWEEE-KDYSTLNUSA-N 423.468 4.760 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587455145 JTSQPQVLOZNKKB-SWHJIRTISA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OCCC(=O)O)cc1)CC2=O 587476654 AAYVCZKWMZYWDM-XMMPIXPASA-N 412.482 4.555 0 1 HJAF C[C@@]1(c2ncc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543413 BSDGVVZYJRKOPJ-OXJNMPFZSA-N 402.233 4.971 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(C(F)(F)F)c1 587544011 DHAXDAYIZAHAKN-XLIONFOSSA-N 402.324 4.820 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(CC(F)(F)F)s1 587546837 KDQMNZGRLUDFPS-CRAIPNDOSA-N 407.369 4.656 0 1 HJAF COC(=O)c1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587547583 MLNFJQPKDWQJMN-WIYYLYMNSA-N 410.809 4.535 0 1 HJAF CCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587548752 XRAYCXPUYFFSGD-KNQAVFIVSA-N 424.836 4.925 0 1 HJAF Nc1sccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612216 IWEQDXZCPJETHG-YKSBVNFPSA-N 415.470 4.941 0 1 HJAF Cc1cccc(C)c1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661377 YGMIWVSRSJJUOR-UHFFFAOYSA-N 402.425 4.539 0 1 HJAF CC[C@]1(c2cc(C(=O)O)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587716706 JRCQBSHYKJHHPC-GIGQVBGESA-N 410.258 4.613 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587730656 JWLAVPDHDXVQGK-HOGDKLEQSA-N 422.248 4.880 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 587734924 SQAXZSVDZWGWFT-YBTHPKLGSA-N 418.285 4.845 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)nc2)N1 587766348 NEYAIOJJXOCZSD-RBZFPXEDSA-N 404.327 4.597 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587830415 SXGTVQIHUHDTGP-DGIBIBHMSA-N 404.235 4.877 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)on1 587864916 UOBODCHWPLXCLC-UHFFFAOYSA-N 419.384 4.983 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cccc(C)c1C 587867836 OOAHYZDZMDQRQH-AWEZNQCLSA-N 419.403 4.697 0 1 HJAF CC(C)(C)[C@@]1(c2ccc(CN)s2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693262 BHTOLPSKUVMMHH-QRQCRPRQSA-N 404.620 4.999 0 1 HJAF COc1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(F)cc1F 962961823 WJDIUHRMAZKBBN-LJQANCHMSA-N 413.386 4.733 0 1 HJAF COc1cccc([C@@]2(c3ccc(OC(C)=O)cc3)NCCc3c2sc(C)c3C)c1 963022742 KLPYDBYNNMROBY-XMMPIXPASA-N 407.535 4.736 0 1 HJAF Cn1c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc2ccccc21 963194778 RECIXVNLORDADH-UGSOOPFHSA-N 408.807 4.539 0 1 HJAF COc1ccc(OC)c(-c2cccc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c1OC 1772576176 SCZMZXRGMYCJLK-MRXNPFEDSA-N 413.495 4.751 0 1 HJAF CC(C)=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)c2c(c1O)O[C@@H](C(C)(C)O)C2 1772641261 JDJGICRECGXAJF-RBBKRZOGSA-N 410.510 4.747 0 1 HJAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)NC[C@H](O)CN 1857580737 FZDFYDFEKMGUTM-XFJNLHFBSA-N 400.607 4.900 0 1 HJAF CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@@H]3C[C@@H](OC(C)=O)[C@H]2C1 2356618693 CWYIAIKRFWEBHR-RFDZQJLLSA-N 416.558 4.628 0 1 HJAF COc1cc([C@@H]2CC[C@H]3[C@@H]2CC[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356640649 LBLYRBKCMMKANA-WNRNVDISSA-N 414.498 4.820 0 1 HJAF COC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 2356820689 FNKYMGUMJBGLNY-HWXWPOHPSA-N 418.618 4.877 0 1 HJAF COc1ccccc1N1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1 3018074 BDYBDKMNRGTAJB-UHFFFAOYSA-N 410.521 4.940 0 1 HJAF O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1 3965497 XHZWYNZVBWJJCI-QFIPXVFZSA-N 416.496 4.917 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)[C@@H]1[C@H](C)CC[C@@]2(C)C(CCC=C(C)C)=CCC[C@]12C 13301181 QHWXZKKFMSATQN-LNWLOANASA-N 420.590 4.979 0 1 HJAF biogenic C[C@H](N)C(=O)Nc1nc(COc2ccc3ccccc3c2)c(Cc2ccccc2)s1 14951993 MHHSJWQWIXSVDO-INIZCTEOSA-N 417.534 4.752 0 1 HJAF CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 28523135 SCDAAZYFMZOQMT-QFIPXVFZSA-N 421.029 4.827 0 1 HJAF CCc1nc(N(C)[C@@H]2c3ccccc3C[C@@H]2OC)c(CC)nc1Oc1cc(C)ccn1 28956423 IOXFDQSXOBRTCR-JTHBVZDNSA-N 418.541 4.846 0 1 HJAF Cc1c(-c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 29124955 GUGPQXDMATZXEW-UHFFFAOYSA-N 419.703 4.998 0 1 HJAF COc1ccc2c(c1C)CC[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C 32296301 QEVQGAGSLSJTLO-TVHHQFAESA-N 400.559 4.730 0 1 HJAF CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1 38308948 DUJWQCUJEVGZHQ-JOCHJYFZSA-N 412.961 4.566 0 1 HJAF Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40865149 KNNGVEADJXGLTI-UHFFFAOYSA-N 423.944 4.743 0 1 HJAF CS(=O)(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1-c1ccccc1 40879238 IDHFMWCPFWHWHF-UHFFFAOYSA-N 416.506 4.926 0 1 HJAF NCc1ccc(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)cc1 45375328 GELIKDSZQOJKBW-UHFFFAOYSA-N 418.451 4.631 0 1 HJAF OC[C@@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1 66251445 CDBQSPQLPIPLAO-QGZVFWFLSA-N 415.459 4.967 0 1 HJAF COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)c2c1 82051987 SPUFMKIYTOUKGU-QFQASLEGSA-N 422.569 4.623 0 1 HJAF COc1ccc(N(C)c2cc(Br)cc(C(=O)NC3CCCC3)c2)cc1 96910984 PJOIMWRREFTKKZ-UHFFFAOYSA-N 403.320 4.898 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@@H]2CCC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1 139499721 ULRZEXNCMHFJNG-MSOLQXFVSA-N 413.477 5.000 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3cc(Cl)ccc23)CC1 144142510 YOMULSKWUWQQKB-UHFFFAOYSA-N 400.931 4.957 0 1 HJAF CCCCCc1ccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)cc1 169310935 MPNXYRQLVPWSKK-UHFFFAOYSA-N 406.574 4.763 0 1 HJAF O=C(CCc1ccccc1)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169315437 UZZADQUOVDWRIO-XMMPIXPASA-N 418.880 4.632 0 1 HJAF CC1=Nc2[nH]ncc2[C@H](c2cccs2)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 169724265 KBCXNVSUKKCULU-HZPDHXFCSA-N 404.417 4.983 0 1 HJAF N[C@@H](CS[C@@]1(c2ccccc2)c2ccccc2CCSc2ccccc21)C(=O)O 473154274 GBASDOMZUWZJEQ-URXFXBBRSA-N 421.587 4.772 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 587013845 BYWRPMPBWNGMAO-UHFFFAOYSA-N 423.336 4.782 0 1 HJAF O=C(Nc1nc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cs1)c1cccs1 587019916 SIQOZOHMEBKVSK-UHFFFAOYSA-N 424.429 4.823 0 1 HJAF FC(F)(F)Oc1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 587039946 HIJOZFRZIKCYFU-UHFFFAOYSA-N 417.210 4.524 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(Br)cc2[nH]1 587147279 JYTZJFPADBOVPS-UHFFFAOYSA-N 407.193 4.810 0 1 HJAF C[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173753 IQYXYBCYDVAYKP-DEOSSOPVSA-N 400.409 4.561 0 1 HJAF CCCOc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br 587253645 CFYOIBDXJALMDS-UHFFFAOYSA-N 424.302 4.820 0 1 HJAF C[C@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331768 FKJGLUYSGNSXNZ-MBSDFSHPSA-N 404.397 4.529 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 587334928 GCUQDZCYEPWYNP-NOZRDPDXSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)O2 587378441 CEIDGPXGTYDRDB-OAHLLOKOSA-N 403.866 4.679 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O 587418417 QCGBQICAYUNOJH-BUXKBTBVSA-N 421.674 4.537 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cn(CC(=O)O)c3ccccc13)(C(C)C)CC2=O 587471448 QJLLFPUEHPWXIK-RUZDIDTESA-N 421.493 4.901 0 1 HJAF CCOC(=O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622256 HFIMJFYVECBHSA-UHFFFAOYSA-N 402.223 4.790 0 1 HJAF Fc1ccc(-c2[nH]c3cccc(F)c3c2CCN2CCN(c3ccccn3)CC2)cc1 587635041 YSZOSIDTWLTVSV-UHFFFAOYSA-N 418.491 4.873 0 1 HJAF CCc1ccc(-c2cnnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 587660176 CTKHLRHYUYPZMD-UHFFFAOYSA-N 423.451 4.606 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(C(F)(F)F)cs2)N1 587713032 MGYCIIDLMADORB-JKYUHCHBSA-N 409.246 4.861 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746260 ZMJLOFVZBCPLJX-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1 587768539 DGUPBYIUGQZRGE-QKVFXAPYSA-N 413.290 4.979 0 1 HJAF CC(C)CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587844652 LUQILLQBAPLTDR-DIFFPNOSSA-N 410.356 4.750 0 1 HJAF CCCCSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587845860 ONHDKBPETIGTEC-GTNSWQLSSA-N 410.356 4.894 0 1 HJAF COc1ccc(CCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(OC)c1 587929499 VFXNGIRLEFLAFS-UHFFFAOYSA-N 415.362 4.805 0 1 HJAF CC(=O)O[C@@H]1[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@@H]2CCC=C(C)[C@]2(C)[C@H]1OC(C)=O 2356581829 MEYMLQXJGDOBCS-ZGMDMAJVSA-N 420.546 4.680 0 1 HJAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)Cc4ccccc4)nc3[C@H](C)[C@@H]21 2356635766 JXYDNPFWKZLFPR-NVONPGCASA-N 424.566 4.578 0 1 HJAF c1ccc(CCCN2CCN(CCN(Cc3ccccc3)c3ccccc3)CC2)cc1 22925661 BKQZGZZNBPJCTI-UHFFFAOYSA-N 413.609 4.944 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C[C@@H]1CN1CCCC1 26579892 OQWXWAMNAANLKP-LJQANCHMSA-N 403.353 4.585 0 1 HJAF CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)c1ccc(Cl)cc1 27522649 CWUCSSZIAOIVHR-SFHVURJKSA-N 421.903 4.565 0 1 HJAF CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)C(=O)CC=C(C)C)OC1 27886848 JAQGMVZNBQCCQP-SAUZUIGSSA-N 422.562 4.709 0 1 HJAF CN(C)C(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 36190302 FXDOOWLBUJULIJ-MRXNPFEDSA-N 424.928 4.939 0 1 HJAF CCOc1nc(S(=O)(=O)c2ccc(C)cc2)cc(O)c1Oc1cc(C)cc(C)c1 40861724 MHBMFNRSFCEIBF-UHFFFAOYSA-N 413.495 4.736 0 1 HJAF CN1C[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H]2CCCC[C@@H]21 40949999 CFDRWKHPJHJISG-ACRUOGEOSA-N 402.332 4.534 0 1 HJAF in-vitro COc1ccc(NC(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 45201517 MNXOJHJUASGFGW-UHFFFAOYSA-N 410.905 4.687 0 1 HJAF Clc1ccc([C@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)c(Cl)c1 45245424 LBKPGJJWLRYYBL-OAQYLSRUSA-N 414.336 4.683 0 1 HJAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O 49844740 MGPRWPRKOWIGJM-ONUMYQOESA-N 409.791 4.882 0 1 HJAF Cc1[nH]c2ccccc2c1[C@@H](c1ccc2ccccc2c1)c1oc(CO)cc(=O)c1O 64560692 KMKHDIBINRBYMI-XMMPIXPASA-N 411.457 4.961 0 1 HJAF CN(C)c1nc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c2ccccc2n1 84634170 GUFBQLUEMSSJNP-UHFFFAOYSA-N 415.472 4.699 0 1 HJAF COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3cn(-c4ccccc4)nc23)cc1 95581700 BPAIIDIEIANVEX-UHFFFAOYSA-N 421.460 4.743 0 1 HJAF O=C(Nc1cccc2cccnc12)c1ccc(N2CCN(c3ccccc3)C2=O)cc1 96909109 RJSMLLZDWPAXDS-UHFFFAOYSA-N 408.461 4.934 0 1 HJAF COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1 103873056 ZDPAIIWPPXXHSX-QFIPXVFZSA-N 403.482 4.846 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nc2cc(OC)ccc2s1 116142445 OMGAIUZPUSZZME-LFIBNONCSA-N 401.509 4.758 0 1 HJAF in-vitro CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccco3)c2)n1C 169321568 QKFGETPJSHDZJP-UHFFFAOYSA-N 408.458 4.855 0 1 HJAF O=C(Nc1nc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cs1)c1cccc(O)c1 587019251 IQRIJSUZBOBVQN-UHFFFAOYSA-N 418.400 4.587 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)nc(C)cc3[nH]2)c1 587050885 RZYCGSBGEPUNGW-CMDGGOBGSA-N 411.893 4.619 0 1 HJAF O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1 587215361 GRQDNWXOROYPBS-DVECYGJZSA-N 409.441 4.671 0 1 HJAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1F 587238288 BMNWYQUIPHSPDB-OIAISFKWSA-N 403.498 4.565 0 1 HJAF C[C@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342346 DKWYSYHRMBILAU-ILBGXUMGSA-N 417.436 4.542 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Cl)c(Cl)c3)nn1)CC2=O 587459659 CLNZPKSDURQJLN-LJQANCHMSA-N 418.280 4.939 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(F)c(Cl)c1)CC2=O 587466472 LUDIYGZKODBQBS-OAQYLSRUSA-N 406.837 4.863 0 1 HJAF O=C1C[C@]2(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 587517512 OTRSXWDNUQKLLL-WGDIFIGCSA-N 415.489 4.508 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC[C@H]2CCCO2)c1 587615788 HLIJBMJLUIFUFL-WSUBETFTSA-N 418.445 4.653 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(F)cc2)N1 587727199 BAMXGWSHOWCWFF-FKIZINRSSA-N 424.285 4.760 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753148 IBYFFECZXSACHB-XGINMYPSSA-N 423.326 4.685 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(O)sc3c2)N1 587855554 GPQIQKWESOGGPA-YYSFKGJASA-N 407.308 4.701 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(=O)OC)ccc1F 587864409 FXSSDQSRKJQYHA-UHFFFAOYSA-N 408.351 4.883 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(Br)c1 587867128 TWZGQELUUDEISV-UHFFFAOYSA-N 412.209 4.783 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)cc1 587869554 MHQBKGZJDPPAGR-UHFFFAOYSA-N 419.250 4.570 0 1 HJAF Cc1ccc(-n2c(SCc3ccccc3F)nc3nncc-3c2O)cc1Cl 618007508 JUMUMUZFBIDJKF-UHFFFAOYSA-N 400.866 4.866 0 1 HJAF COc1cc2c(cc1C(=O)NCC(C)C)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857594667 JTCKYCSPXKPTEU-ATIYNZHBSA-N 421.585 4.533 0 1 HJAF O=C(c1c(O)cc(O)cc1Nc1ccnn1C1CCCCC1)N1Cc2ccccc2C1 1857613445 ONZVFEDPAJNBKR-UHFFFAOYSA-N 418.497 4.699 0 1 HJAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 775138 MEKXVRJVKBLWNY-INIZCTEOSA-N 404.441 4.802 0 1 HJAF Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 3649650 NPICGYHMAGFWKC-UHFFFAOYSA-N 403.526 4.930 0 1 HJAF Cc1ccc(C(=O)c2ccc(O[C@H](CCN(C)CC(=O)O)c3ccccc3)cc2)cc1 28265518 HNBKNDFZJLEZLZ-XMMPIXPASA-N 417.505 4.753 0 1 HJAF in-vitro Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc3cccnc23)c(Cl)c1 35002857 CZKQFEVEHFVORD-UHFFFAOYSA-N 423.929 4.817 0 1 HJAF C[C@H]1[C@@H]2Cc3ccc(C(=O)NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 35034158 YDAZIHWOJIXKKE-BYGVMDBSSA-N 402.582 4.593 0 1 HJAF O=C(NCC1(O)CCCCCC1)c1cc(-c2ccccc2C(=O)O)ccc1Cl 43023968 KWDRPQHLCCZECW-UHFFFAOYSA-N 401.890 4.520 0 1 HJAF CN(Cc1ccccc1)[C@H]1CCCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)C1 45187315 GLRUETJVULFVRM-QHCPKHFHSA-N 418.516 4.574 0 1 HJAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C1CC1 45318721 CEOHFPLVFGSEBG-IBGZPJMESA-N 419.428 4.756 0 1 HJAF Cc1cccc(-c2cn(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1 49803757 GVWLWHOUKASNRW-UHFFFAOYSA-N 419.488 4.616 0 1 HJAF O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)OCCC1CCCCC1 82084995 KELWKLMKHNUXFR-UHFFFAOYSA-N 406.482 4.738 0 1 HJAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N2CCCC2)c1 82145540 VSVBWUJEFKUKEJ-UHFFFAOYSA-N 406.917 4.954 0 1 HJAF COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 82158174 PVEMYKWAHSLHJJ-NYYWCZLTSA-N 416.300 4.628 0 1 HJAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82178684 VUNNQXZXBLQWIF-FQEVSTJZSA-N 406.578 4.826 0 1 HJAF COc1cccc2c1O[C@@H](CN1[C@H]3C=C(c4cccc5cccnc45)C[C@H]1CC3)CO2 100984904 NDBSQHOHKNHYKI-NJYVYQBISA-N 414.505 4.704 0 1 HJAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)c(F)c3)no2)n1 140581572 LXVDTSYQTXWWIG-UHFFFAOYSA-N 423.427 4.674 0 1 HJAF O=C(O)c1cn(CC2(c3cccc(Oc4ccccc4)c3)CCCC2)cc(O)c1=O 144187009 WQWDMRBYPBKHMD-UHFFFAOYSA-N 405.450 4.556 0 1 HJAF O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(C(F)(F)F)cc2)n2ccccc12 169323268 NHEUBSAVNUJWDO-UHFFFAOYSA-N 423.394 4.765 0 1 HJAF CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C4CCC4)cc3)C2)ccn1 169709441 BUVANMQEPBCZSL-MBSDFSHPSA-N 423.557 4.504 0 1 HJAF O[C@@H]1C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 586904435 TYWRIOPORHOLDU-QMTHXVAHSA-N 413.193 4.793 0 1 HJAF CCCOc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br 586909482 ZITWKPUZLTUXNV-UHFFFAOYSA-N 401.260 4.753 0 1 HJAF CC(=O)NCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994166 ODNKKOFQBWJSNR-UHFFFAOYSA-N 400.459 4.516 0 1 HJAF COC(=O)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 586998563 MUESBLPFGBCCLL-CLFYSBASSA-N 424.254 4.937 0 1 HJAF Cc1cc(Cl)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587117774 GJBLGJMSEFYDQV-UHFFFAOYSA-N 407.621 4.745 0 1 HJAF COC(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1OC 587151959 VWJMHFAPXDIOSO-HXUWFJFHSA-N 424.403 4.805 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238879 HCSSNJWZBIVLKF-FQWGINHLSA-N 405.926 4.771 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)O2 587374906 KIPUMPLWNGQPCV-OAHLLOKOSA-N 403.866 4.679 0 1 HJAF Nc1ccc2c(c1)[C@]1(C=C(C(F)(F)F)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587505488 HIDPAIYSRVPMKU-OAQYLSRUSA-N 401.384 4.847 0 1 HJAF C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558337 WPDBVGSBDRQVLN-XLIONFOSSA-N 401.340 4.683 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)cc2)on1 587569952 JNQWZJTUNBXTJY-NZQKXSOJSA-N 403.365 4.889 0 1 HJAF COc1ccc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587591616 WLFPTRYUAUGNIV-ZJSXRUAMSA-N 401.418 4.759 0 1 HJAF COC(=O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592733 JXNHOKPYIXZVEQ-RDGATRHJSA-N 418.445 4.593 0 1 HJAF CCOc1ccc(-c2nn(-c3cccnc3Cl)c(=O)c3ccccc23)cc1OCC 587668184 DFZJJXRLBBHWDX-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3F)c2)N1 587726863 LUEAIXSJDJQMPY-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754952 FXQCQDISFHBZNY-YBTHPKLGSA-N 403.295 4.583 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc3c(c2)OCCO3)N1 587833611 GSIWKYOCUBYROZ-MLGOLLRUSA-N 406.295 4.568 0 1 HJAF Cc1ccnc2c1CCN[C@]2(C)c1ccc(OCc2ccccc2)c2nc(O)ccc12 963075168 QZZRXPJMLAJAPE-AREMUKBSSA-N 411.505 4.632 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C(C(=O)O)=C1SCCCN1c1ccccc12 963231116 PZDCLVRBMNAFDQ-SSOJOUAXSA-N 420.578 4.840 0 1 HJAF Cc1cc2c(cc1Cl)[C@]1(C(Br)=CO2)c2nc(Cl)cc3c2CCN1C3 963474578 WNHJRLMBWFSVPC-SFHVURJKSA-N 424.125 4.941 0 1 HJAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=C3CC[C@H](C)[C@@H]3C[C@H]2C(C)(C)O)ccc1O 2356566037 UJHQSMHJLBMXAL-CNWYBHPASA-N 414.542 4.869 0 1 HJAF CCCCC[C@H]1CN(Cc2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1 15935148 XYJFNPKWYRBWLF-LADGPHEKSA-N 422.569 4.557 0 3 HJAF O=C(COCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1 61959070 TXJOKYQUXNTJJM-AOYPEHQESA-N 401.506 4.592 0 3 HJAF CN1CC=C(c2cn(S(=O)(=O)c3cccc4ccccc34)c3ccc(F)cc23)CC1 589552 CGSFFLVTUXMRJK-UHFFFAOYSA-N 420.509 4.890 0 1 HJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H]1c2ccccc2O[C@@H]2C=CC=C[C@@H]21 4875038 KICYSZOYNLAVJI-LDQXTDLNSA-N 414.461 4.570 0 1 HJAF O=C(NCc1ccccc1)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 13833877 CEFNSSXWJKNYCE-UHFFFAOYSA-N 402.450 4.856 0 1 HJAF Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2ccc3ccccc3n12 26188680 HYTUMNFHXKLVPK-UHFFFAOYSA-N 411.502 4.670 0 1 HJAF CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1 40847929 JIKAKDQZRABPAQ-UHFFFAOYSA-N 406.551 4.922 0 1 HJAF COc1cccc(-c2ccc3c(-c4cccc(S(C)(=O)=O)c4)cnc(N)c3c2)c1 45302767 SAAZJLLTOYRCKA-UHFFFAOYSA-N 404.491 4.563 0 1 HJAF CC(C)(C)OC(=O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186596 PIHLHOPIOHCKCK-HXUWFJFHSA-N 401.938 4.814 0 1 HJAF Nc1ncnn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)c(Cl)c3)c12 96168311 HMZHNTCAYSEJMZ-UHFFFAOYSA-N 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CCN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587597388 UUCNLMRVUWULNM-DHLKQENFSA-N 401.462 4.868 0 1 HJAF CN(C)C(=O)Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612023 ILXSLZOTPAAERO-DENIHFKCSA-N 421.474 4.869 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)s1 587615063 VGURDAZXNANXAC-WIYYLYMNSA-N 408.479 4.542 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(C(F)(F)F)cs2)N1 587712242 KCDOYGMIQAMQSP-JKYUHCHBSA-N 409.246 4.861 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587724871 AAMSXSLPPBUGKR-MLXNANBUSA-N 412.665 4.832 0 1 HJAF Cc1ccc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839042 POURIDGWKGSZNO-WYRIXSBYSA-N 402.263 4.627 0 1 HJAF Cc1cc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)nn1Cc1ccccc1F 587946754 WOQGRYPJTBMVEX-UHFFFAOYSA-N 423.513 4.549 0 1 HJAF CCn1ncc(C(=O)C[C@@]2(C(F)(F)F)c3cc(OC)ccc3CCN2C(C)C)c1C 962094794 SQOKDNIPICFSFF-NRFANRHFSA-N 423.479 4.517 0 1 HJAF Cc1c(F)ccc2c1C1(CC3(CCN(C(=O)OCc4ccccc4)CC3)C1)NCC2 962145452 MBNOLSDKQWMTFW-UHFFFAOYSA-N 408.517 4.688 0 1 HJAF O=C(c1ccc(F)cc1)c1cc2cc([C@H]3NCCc4nc5ccccn5c43)ccc2o1 962989381 ZZNKWIXOAMJNEE-HSZRJFAPSA-N 411.436 4.686 0 1 HJAF CC1=C[C@H](CN2C(=O)C(C)=C(C)C2=O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356286812 QXDAJNBWHMTVKT-XUVXKRRUSA-N 405.542 4.665 0 1 HJAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CC[C@H]2c2ccccc2)cc1 12355183 NUXNHYJNSHRNAN-ZHRRBRCNSA-N 414.509 4.897 0 1 HJAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCC1 13679966 OQTRBKFDOSHNIO-UHFFFAOYSA-N 416.609 4.985 0 1 HJAF CCN(CC)C(=O)/C=C(\C)c1cc(OCC(=O)O)cc(O[C@H](C)c2ccccc2)c1 13782713 DUAMZTSHZAMEMJ-XCMFGDQWSA-N 411.498 4.562 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@]12C 26395642 LGKOHXBHQYUHPI-FGXQUKBJSA-N 404.595 4.554 0 1 HJAF Cc1ccc(-n2cc(Cn3c(-c4cccc(F)c4)nc4ccccc43)nn2)c(F)c1 40423113 FJCMLIWGIFSSHE-UHFFFAOYSA-N 401.420 4.919 0 1 HJAF CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2cccc(NC(C)=O)c2)cs1 82193772 DXRSTSLPXGYFET-MRXNPFEDSA-N 402.564 4.513 0 1 HJAF O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)ccc21 96905530 JSNKWLLGLZMCNC-LJQANCHMSA-N 418.324 4.675 0 1 HJAF O=C(Cc1ccc(F)cc1)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2 103239411 MFQXLFJIGRJECL-UHFFFAOYSA-N 423.513 4.985 0 1 HJAF O=C(O)CCCCC(=O)N1CCc2c(n(CCCc3ccccc3)c3ccccc23)C1 112992572 AZVYUBSOAYAFCA-UHFFFAOYSA-N 418.537 4.804 0 1 HJAF CCCc1c(Cn2ccnc2-c2c(F)cccc2F)ncn2cc(C(F)(F)F)nc12 139971378 CEEJHZQYRZHFJU-UHFFFAOYSA-N 421.373 4.891 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(-n3ccnn3)c2)cc(-c2ccc3ncsc3c2)n1 141799957 JJSJAVWXIDKRHU-CQSZACIVSA-N 413.510 4.816 0 1 HJAF CC[C@@H](NC(=O)c1cc(C(=O)NCc2ccccc2)n2c1CCCC2)c1ccccc1 146136133 RYSKFLUHVACRTL-JOCHJYFZSA-N 415.537 4.636 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@@H]4[C@@H]3CC[C@@H]12 169323366 IVMOGXVDSLYJFW-YFFPBDMWSA-N 424.610 4.956 0 1 HJAF Cc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 206149325 PYVPLHCESWSWEV-UHFFFAOYSA-N 416.915 4.516 0 1 HJAF COc1cc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc(O)c1OC 222461209 NRYABYTUBVDSHN-QVEMZERUSA-N 418.486 4.520 0 1 HJAF Cc1ncc(C2([C@H](C)NC(=O)c3cccc(F)c3Cl)CCC(F)(F)CC2)cn1 473194811 QWAQXWNHBHUXJL-LBPRGKRZSA-N 411.855 4.843 0 1 HJAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)Nc4ccccc4OC)ccc3[nH]2)cc1 586880722 GPKXZKFXUBACES-UHFFFAOYSA-N 405.479 4.682 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ncc(Br)cc13)CC2=O 587458215 HVJCQIJZCIAUQB-FQEVSTJZSA-N 415.287 4.864 0 1 HJAF COCOc1ccccc1[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515778 RIFWXKVGIVMNBT-AREMUKBSSA-N 415.489 4.852 0 1 HJAF COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587549655 SHWHZJBAEBZTII-XMSQKQJNSA-N 412.825 4.766 0 1 HJAF COC(OC)c1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587556252 IWJACISNIDSTOE-SIKLNZKXSA-N 410.397 4.526 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587711647 XQPLMCYBNUMQDE-BTDLBPIBSA-N 416.212 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC(F)F)c2)N1 587717087 KMSMVFNIFUSMQA-VPTHRUTESA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccccc2)N1 587762024 COPKMEWYFBLEAT-MPBGBICISA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCc3ccccc3)CC2)N1 587769313 ONTDMOSTMGWECO-INIZCTEOSA-N 417.366 4.656 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3cnccn3)c2)N1 587774936 OJUKJJQAPZOYGE-YUNKPMOVSA-N 414.278 4.794 0 1 HJAF CCOC(=O)C[C@@]1(CCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795250 IFEQDCGHXINGHG-ORAYPTAESA-N 400.332 4.707 0 1 HJAF CC(=O)Oc1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814473 ZQOGLMLDQXBPPA-CWTRNNRKSA-N 406.295 4.754 0 1 HJAF CCCCC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccc(OC)cc1 15935322 YJQNARRXHJKNAO-NZQKXSOJSA-N 414.590 4.689 0 3 HJAF Cc1cc(C)cc(OCC(=O)N(c2ccc(Cl)c(Cl)c2)C2CCNCC2)c1 3965110 PNZBIKULWBRCFZ-UHFFFAOYSA-N 407.341 4.774 0 1 HJAF CC1(C)C=Cc2c(c3c(c4c2O[C@H](c2ccccc2)[C@H](O)C4=O)OC(C)(C)C=C3)O1 13462584 ZZNMWGVMOBOREI-WOJBJXKFSA-N 404.462 4.732 0 1 HJAF biogenic Cc1ccc(-c2nc(SC[C@H]3C[C@](C)(O)CC(=O)O3)[nH]c2-c2ccc(C)cc2)cc1 13730486 OVDBTRIWXKFQPB-DVECYGJZSA-N 422.550 4.909 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 14860401 WTGUNSGYPQJOLT-JTJYXVOQSA-N 424.493 4.605 0 1 HJAF biogenic COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCC[C@H]4[C@H]3C2=O)cc1 17217174 GECBHJXRQAUPDJ-LFWOZUSOSA-N 400.478 4.737 0 1 HJAF COc1ccc(/C=C/CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 28862961 XKNHEYPCGWKLOY-SNAWJCMRSA-N 414.477 4.761 0 1 HJAF CCSCCN1C(=O)CS[C@H]1c1cnccc1-c1ccc(Br)cc1 33611947 JWAXVPKIWGTMKA-SFHVURJKSA-N 423.401 4.838 0 1 HJAF O=C(O)c1cccc(-c2cnc(C(=O)[C@@H]3Cc4ccc(-c5ccccc5)cc4C3)o2)n1 71296803 VSZPRUWZAVPUOL-LJQANCHMSA-N 410.429 4.700 0 1 HJAF COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1 71296943 BWZWPNQYJPXCPE-UHFFFAOYSA-N 409.917 4.615 0 1 HJAF O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2c1cnn2Cc1ccncc1 95581975 AQKXPRIGAGFXIB-UHFFFAOYSA-N 406.445 4.907 0 1 HJAF OC[C@@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 95877643 PDTXHKBXSAOQMH-TUSQITKMSA-N 406.476 4.981 0 1 HJAF CO[C@H]1CC[C@H](OC(=O)[C@@H]2C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 103021199 RJBJIKXTJIZONR-CXXHRNMOSA-N 424.585 4.683 0 1 HJAF NC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1 169703657 ONZOUDQIBCDEGX-MAEOIBBWSA-N 422.964 4.734 0 1 HJAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ccncc1 206190503 FBEIUXNFGUMCND-UHFFFAOYSA-N 414.383 4.682 0 1 HJAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@H]3CCNC3)cc12 220164023 OMTCYVOOELOTSO-INIZCTEOSA-N 403.917 4.967 0 1 HJAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)CC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 221058770 LTCDGMJSTBETEA-JHOYDQBKSA-N 407.598 4.705 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CCC1 261159237 QNJDOVDHWZTXIL-XYWHTSSQSA-N 410.602 4.666 0 1 HJAF CCOC(=O)[C@@H](C)OCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 299827299 GDDUJUFLJKMFCK-SDOQWUHBSA-N 422.610 4.563 0 1 HJAF Oc1ccc(C2(c3nc4cccc(OCc5ccccc5)c4[nH]3)CCOCC2)cc1 586913532 PRVWODSWAPMKRQ-UHFFFAOYSA-N 400.478 4.944 0 1 HJAF O=C(O)Cc1c(-c2ccc(F)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988593 NMLMHNBMJSALSB-UHFFFAOYSA-N 417.367 4.724 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587041890 HKUDTZXCGUQHJT-KRWDZBQOSA-N 401.919 4.811 0 1 HJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c(F)c2)c1 587138626 OOKNFMPPEBKBFD-UHFFFAOYSA-N 408.360 4.645 0 1 HJAF Cc1cc(Br)cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587195317 DIBOPJPDEWDRPZ-CQSZACIVSA-N 424.339 4.550 0 1 HJAF CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 587407400 IDTNWCYALJNYBN-MQNRADLISA-N 421.493 4.746 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(Br)cc1O)CC2=O 587456594 RTOLJADOVSRABH-KRWDZBQOSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(C)cccn3c1Br)CC2=O 587458511 KGIZWCCVGSKWEP-INIZCTEOSA-N 415.287 4.770 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(F)F)c(OC)c1)CC2=O 587468039 WMCLRRRKZDJUNS-JOCHJYFZSA-N 406.425 4.878 0 1 HJAF C=CN1CCCC[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477462 YFPSPVCFMMEJBI-QFQXNSOFSA-N 419.521 4.978 0 1 HJAF COCOc1cccc([C@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515448 NXKISKZPGFCQKP-SANMLTNESA-N 415.489 4.852 0 1 HJAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]c1Br 587539572 FINRTSKXUFYTKF-OXJNMPFZSA-N 414.255 4.668 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)[nH]c2cccc(Cl)c12 587552176 OCCQUAYRCNRVGH-WIYYLYMNSA-N 407.809 4.935 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Br 587559876 ZYJWUSDTJLODQA-FXAWDEMLSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2F)no1 587571203 ZVEVPXLGJGISCK-NZQKXSOJSA-N 403.365 4.889 0 1 HJAF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587572715 QHGGZEDIVABIBH-QPPBQGQZSA-N 405.450 4.647 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OC(F)(F)O3)N1 587718355 ISZUUELSERWSBS-BCTVWOGZSA-N 400.194 4.533 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587800085 ZWLCIWSHLUAEFO-MPBGBICISA-N 400.295 4.910 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCOc3c2ccc2ccccc32)N1)C(F)(F)F 962730667 OSQMYDPZBXKUOC-NZQKXSOJSA-N 411.423 4.902 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](CCCCC(=O)O)(c1cc(Cl)cc(Cl)c1)NCC2 962909368 LVGMREZLGFVKSG-OAQYLSRUSA-N 424.372 4.885 0 1 HJAF CC1=C[C@H](CNC2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356310776 KSAYIMPPBMVPRB-JQVVWYNYSA-N 412.597 4.783 0 1 HJAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 2356489472 ZLLJYAHSJDPPOJ-BJKOFHAPSA-N 424.493 4.716 0 1 HJAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356759096 IXNUKSAZRICLSL-ZVDOUQERSA-N 420.532 4.924 0 1 HJAF C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCn3cc4cc[nH]c4c3)c2)CC1 2356768476 OPQUROGRWPFTLL-VUMVONDWSA-N 422.525 4.567 0 1 HJAF CCC1=C(C[C@@H]2NCCc3ccccc32)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1 13099121 HDIJLRXRAJUXQB-DQEYMECFSA-N 418.581 4.990 0 3 HJAF in-vivo CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 774957 ZVCSOLJCBQANJK-WOJBJXKFSA-N 424.472 4.580 0 1 HJAF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 4207063 LXHCYXYECRBGOX-IRLDBZIGSA-N 414.933 4.708 0 1 HJAF CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1 27526707 HKSQRNORMIJZJN-UHFFFAOYSA-N 422.594 4.861 0 1 HJAF Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40863243 ZPIMWSOPZFAUBE-UHFFFAOYSA-N 423.944 4.743 0 1 HJAF Cc1ccccc1Cc1cc2c(N(C)c3cccc(Br)c3)nc(N)nc2[nH]1 64451018 WCTLSBBVUJVVIG-UHFFFAOYSA-N 422.330 4.970 0 1 HJAF COc1cc2c(cc1OC)CN(CCCCn1ccc3cc(C(C)=O)ccc31)CC2 72116852 VVSUMXAACBWRKL-UHFFFAOYSA-N 406.526 4.700 0 1 HJAF COc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1 95574692 JGVSDYAGZPHABS-UHFFFAOYSA-N 411.505 4.945 0 1 HJAF OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95874540 CPGJSWPJIQFYIV-VABKMULXSA-N 418.503 4.531 0 1 HJAF COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(F)cc2)c1 96916228 VEMHZLUJOYAAGT-GOTSBHOMSA-N 422.452 4.972 0 1 HJAF O=C1Nc2cc(Br)ccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1 103236574 SZHNVQCFGGNZFC-DENIHFKCSA-N 419.278 4.815 0 1 HJAF Cc1nn(-c2ccccc2)c(O)c1SC(F)(F)[C@](F)(Cl)OC(F)(F)F 103956814 OMCCSRZJGKMXAA-LLVKDONJSA-N 406.735 4.970 0 1 HJAF NC1(c2ccc(-c3nc4ccc(C(=O)NC5CC5)cn4c3-c3ccccc3)cc2)CCC1 113655039 VVJALPIXKAWUMN-UHFFFAOYSA-N 422.532 4.898 0 1 HJAF S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@H]2[C@H](c2ccccc2Cl)N1 169729974 SNBMRPUEGLCZEG-MHMDMGHGSA-N 402.350 4.667 0 1 HJAF COc1ccc([C@H]2C[C@]3(N4CCCC4)C[C@@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1 299810109 HWQISLZWCOZLRA-UVIRKTLASA-N 407.554 4.580 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@]12C 299820330 LGKOHXBHQYUHPI-ZOGIJGBBSA-N 404.595 4.554 0 1 HJAF Cc1nc(Nc2cc(C3CC3)ccn2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 299860425 GQHCEFMDGMWZFB-NRFANRHFSA-N 413.525 4.821 0 1 HJAF COc1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 586920415 PVFQIXVHWTUYMO-UHFFFAOYSA-N 416.977 4.857 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)c1C 586947030 IYYIHLQZTSLTSZ-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(Br)nc3)nc3ccc(O)c1c23 586987001 XAOLMBRZBZXLSZ-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF COc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1OC 587130224 PLWHVCCVTOEEHU-ZCFIWIBFSA-N 406.767 4.915 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3c2)cc1 587137038 PZHUBELKZRBGNT-UHFFFAOYSA-N 413.355 4.808 0 1 HJAF FC(F)(F)c1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl 587185360 SDHJYNWTLQTELK-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF COc1ccc2c(c1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347712 PQGDXHAHWHSVER-ISKFKSNPSA-N 405.425 4.610 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 587351248 ZRKUKMLJAOXKCV-GJQIQAERSA-N 417.480 4.785 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](C(=O)O)(C4)C3)[C@@H]1c1ccc(F)cc1 587356176 ZCSSEVRKKPPABU-XMLIWBMVSA-N 422.452 4.540 0 1 HJAF Cc1ccc(Cl)c2c1[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553754 VQTBPUGCUCZQEV-WMZHIEFXSA-N 408.837 4.994 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccn2)n1 587612171 KMLPSFQAZIWFQM-WIYYLYMNSA-N 402.431 4.614 0 1 HJAF Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587653162 DQFSDMZXRRTJSB-UHFFFAOYSA-N 416.289 4.703 0 1 HJAF O=C(c1cc2ccccc2[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658244 MTVLNFXEYBIWRR-UHFFFAOYSA-N 401.372 4.512 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587708664 CXCNVYJBIWNPMO-DYZYQPBXSA-N 416.212 4.741 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)c1 587781503 VLSFMSJPLGFFNO-UHFFFAOYSA-N 400.360 4.626 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCCC2=O)N1 587822765 MDZJUVDJGMLXAC-ZQWRNJAYSA-N 402.307 4.735 0 1 HJAF COc1ccc(/C=C\Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(OC)c1 587928429 CEWGDWQVVIHCHF-ARJAWSKDSA-N 413.346 4.885 0 1 HJAF COCOc1ccccc1[C@@]1(c2ccncc2)c2cc(OC)ccc2CCN1C(C)C 962085875 BOVSQRHIAQHDDR-SANMLTNESA-N 418.537 4.631 0 1 HJAF Cc1cccc(N(C)c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)c1 963216841 AORDIKNHGQPWRF-FTJBHMTQSA-N 423.516 4.999 0 1 HJAF CCCc1[nH]nc2c1[C@H](c1ccc(N(C)C)cc1)c1c(nc3c(c1N)CCCC3)O2 1772633780 ZPIOLROBCBZJGO-IBGZPJMESA-N 403.530 4.570 0 1 HJAF Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccc5c(ccn5CCO)c4)c3c2)c1 1857538976 GGSMPTXHTDEWMX-UHFFFAOYSA-N 410.477 4.738 0 1 HJAF COc1ccccc1CSc1nc2ccc(O)cc2c(=O)n1Cc1cccs1 1857618758 KPPSMIDGGUSEQD-UHFFFAOYSA-N 410.520 4.513 0 1 HJAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OCC(C)C 2356340190 JBXQTZCILHGOIN-MQQADFIWSA-N 412.482 4.534 0 1 HJAF CC(=O)OC[C@]12C(C)=CCC[C@@H]1[C@](C)(C[C@H](OC(C)=O)c1ccoc1)[C@H](C)C[C@H]2O 2356569285 KSDOXWOAQAJWSO-RLXOIXJTSA-N 418.530 4.587 0 1 HJAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)cc(C)n1 13832968 LKQQCHJZEXEAEG-UHFFFAOYSA-N 424.378 4.785 0 1 HJAF CC[C@]1(CCCCN2CCN(c3ccccc3Cl)CC2)C(=O)Nc2ccccc21 29055182 DYRUNNNOQHQRLA-XMMPIXPASA-N 411.977 4.932 0 1 HJAF Nc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 29129815 HCBPLVRDBFSYDE-UHFFFAOYSA-N 412.375 4.870 0 1 HJAF C[C@](O)(C[S@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801513 GJCXIQFUTFASBU-CBZJRKILSA-N 419.827 4.995 0 1 HJAF COc1ccc(-c2ccnc3nc(-c4ccc(C(=O)N5CCCCC5)cc4)[nH]c23)cc1 35308608 NHECRIZPDJYOLQ-UHFFFAOYSA-N 412.493 4.927 0 1 HJAF S=C(NC1C2CC3CC(C2)CC1C3)N1CCC(c2cccc(Br)c2)=N1 40918790 IFCMUZUCPSIASF-UHFFFAOYSA-N 418.404 4.558 0 1 HJAF CC(C)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)nc2)CC1 53296997 QSSSUQCOVXDUKG-UHFFFAOYSA-N 408.329 4.737 0 1 HJAF CC1=C(C)[C@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 72126300 SDGAWOVTSOHSGP-DEOSSOPVSA-N 411.929 4.661 0 1 HJAF COc1ccc(Br)c(-c2nnc3n2N[C@H](c2cccc(Cl)c2)S3)c1 73294968 PIDHFEIFTFTUAM-HNNXBMFYSA-N 423.723 4.718 0 1 HJAF COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2Cc2ccccc2)cc1 96907890 DUPNJDHSULTZDT-DEOSSOPVSA-N 419.521 4.891 0 1 HJAF O=C(/C=C/c1c[nH]c2ccccc12)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 103271107 GTSGKPZFIMEDNA-JXMROGBWSA-N 413.443 4.544 0 1 HJAF CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4)c3)cnnc21 150117874 DZWMTGPUAKIKLC-UHFFFAOYSA-N 424.501 4.501 0 1 HJAF COc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1cccc(OC(F)(F)F)c1 167056902 DEODANMZGNVMBK-ZFWWWQNUSA-N 417.786 4.814 0 1 HJAF O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2c1C(=O)N(CC1CC1)C2 205421500 PGKCGQKKSQJORD-UHFFFAOYSA-N 422.488 4.848 0 1 HJAF Cc1ccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)cc1 261169677 SQLYEWBPPTXDRF-MEMLXQNLSA-N 411.615 4.557 0 1 HJAF COc1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc12 586947361 MUELZTFJUHUTEN-UHFFFAOYSA-N 407.495 4.656 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cc(Br)c2[nH]1 586971931 BPFOICKDPTXYHW-KRWDZBQOSA-N 418.360 4.744 0 1 HJAF FC(F)(F)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cn1 586977676 PEIQGIKJYMYXMU-UHFFFAOYSA-N 406.589 4.972 0 1 HJAF O=C(O)Cc1c(-c2ccc3c(c2)CCC3)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990044 IDPQJEJUUQAJRA-UHFFFAOYSA-N 421.452 4.935 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(C)=O)cc3[nH]2)c1 587050181 VOMUCMYTDCKHKM-KTKRTIGZSA-N 424.888 4.809 0 1 HJAF COC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110151 OCISNLFVVBORQB-UHFFFAOYSA-N 402.294 4.978 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 587115218 JBNCUWIGHATZQX-UHFFFAOYSA-N 414.181 4.583 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587331716 FHBGENHUVBCXOO-NOZRDPDXSA-N 419.452 4.986 0 1 HJAF COc1cccc(OC)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353562 RABIPDFYBMLMHU-QPPBQGQZSA-N 408.425 4.823 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C1CCOCC1)O2 587370563 GFFKRZWCPJDSNN-NRFANRHFSA-N 416.315 4.627 0 1 HJAF CC1(C)Cc2nc(N)sc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375587 UODBWISLIZIDSZ-FDDCHVKYSA-N 424.497 4.797 0 1 HJAF CCCc1c(O)ccc2c1O[C@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC2=O 587462154 PKUCRAOZWUCEDR-BBRMVZONSA-N 417.424 4.524 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)CC2=O 587478910 AGJJDPFRNAEYHJ-LLJLJFOGSA-N 415.530 4.858 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(Cl)c(Cl)c1 587543518 KRQVFRJYYLPLMN-GHTZIAJQSA-N 417.244 4.548 0 1 HJAF O=C(c1cc(-c2ccccc2)nc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587651880 GLWPIZISPJASCM-UHFFFAOYSA-N 411.848 4.954 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC 587695809 SDWJMWJRJZZBLW-VVVCHXIZSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)nn2C)N1 587766444 WBVFLTRNTCBEMJ-MPBGBICISA-N 400.295 4.612 0 1 HJAF Cc1ccc2nc(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587780169 YZMKKCHBJXZWDY-JEOXALJRSA-N 401.279 4.774 0 1 HJAF COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805122 GSQUNFHLBWSRNC-WTOJCKNJSA-N 400.332 4.707 0 1 HJAF COc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809553 UFNMXYJJAUZETH-YUNKPMOVSA-N 408.311 4.598 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3nc(Cl)sc3C2)N1 587859129 VVJJFVKDPBTYQR-BCTVWOGZSA-N 401.732 4.617 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2ccccc2c1O 587867503 GQBNUNJCDLDFLI-UHFFFAOYSA-N 413.355 4.520 0 1 HJAF Cc1nc(O)c(Br)cc1[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963118892 ZYDJFMFFLNKICC-INIZCTEOSA-N 402.119 4.574 0 1 HJAF COc1c(C)cnc(Cn2cc(Cc3ccc(C)cc3)c3c(Cl)nc(N)nc32)c1C 1772614925 COQBGXVJWMUBPX-UHFFFAOYSA-N 421.932 4.635 0 1 HJAF CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c1O 5854551 RIWDYFGEQJAMKI-SFHVURJKSA-N 424.493 4.885 0 1 HJAF endogenous,in-man COc1ccc(C(F)(F)F)cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579681 UKYMAZYHBIKNIO-QGZVFWFLSA-N 415.839 4.647 0 1 HJAF CC(=O)O[C@@H](c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl 29562678 IDXJOYXGIFUSHR-IBGZPJMESA-N 424.305 4.684 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21 33873991 ZNSKOGGQUHKREZ-AJVULOPZSA-N 402.560 4.525 0 1 HJAF CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ncc[nH]5)CC4)cccc3[nH]2)cc1 40956550 FTRJFDQYSSFEDV-UHFFFAOYSA-N 414.557 4.573 0 1 HJAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2c(C)noc2C)nc2ccc(OC)cc12 45189970 XMKHZUAMUGEIGT-YBFDUAAGSA-N 421.541 4.669 0 1 HJAF C[C@@H](Cc1nsc(Nc2ccc(F)c(Cl)c2)n1)N(C)C(=O)Nc1ccncc1 82052281 LBSWZKNIHOKUHO-NSHDSACASA-N 420.901 4.564 0 1 HJAF c1ccc(CCn2c(-c3ccoc3)nc3c(NC4CCCCCC4)ncnc32)nc1 82190639 UEPOPNIMUJZPLM-UHFFFAOYSA-N 402.502 4.859 0 1 HJAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82195403 SZJASQJLLQOKIZ-IBGZPJMESA-N 417.456 4.513 0 1 HJAF CC(C)CCN1Cc2cc(I)ccc2N[C@@H](CC(C)C)C1=O 95582288 XSGFBZKOWSJVTG-KRWDZBQOSA-N 414.331 4.506 0 1 HJAF CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 100632415 HSRPEDUNBUFIGC-UWJYYQICSA-N 408.567 4.559 0 1 HJAF CC(=O)c1ccc2c(c1)C[C@H](CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O 103231773 FDVGEVSBRKQEIG-INIZCTEOSA-N 420.484 4.794 0 1 HJAF CCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2 103532610 YKERXKWLIKFUIZ-OAHLLOKOSA-N 405.321 4.824 0 1 HJAF CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@]6(CCC[C@@H]6CCO)C5)[C@]3(C)[C@](C)(C4)[C@@]12O 103575305 MLJOFDODJGSSER-BCUOWZMASA-N 416.602 4.600 0 1 HJAF biogenic,in-vitro O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@@H](c5nc6ccccc6[nH]5)[C@@H]3C4)ccnc2N1 150305461 UDDWKWDIETXXHS-ZQMYSKGWSA-N 408.461 4.688 0 1 HJAF CC(=O)OCc1c(-c2ccccc2)oc2ccc(NC(=O)c3ccccc3)cc2c1=O 299860633 GXCRNVUAJLCZEX-UHFFFAOYSA-N 413.429 4.775 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1OC 586878597 GUUSYRDYLBUZPN-UHFFFAOYSA-N 416.433 4.699 0 1 HJAF CCCCOc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587093920 IBFWSVZPXRDTHJ-SECBINFHSA-N 422.245 4.634 0 1 HJAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 587154151 KWKCWVABBJGESH-UHFFFAOYSA-N 401.850 4.823 0 1 HJAF C=CC(=O)Nc1ccc(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)cc1 587243338 BSTOEYGPBRXEJR-UHFFFAOYSA-N 413.433 4.933 0 1 HJAF Cc1ccc(Cl)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587330562 NSDCQBABUDXEQS-AUSIDOKSSA-N 423.827 4.700 0 1 HJAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348321 WBVJBRMIIDZXHB-KAGVRGLPSA-N 417.480 4.923 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)O2 587386776 XGRBEUPRCZFHLH-VWLOTQADSA-N 418.468 4.914 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(C(=O)O)c12 587528945 GYNSLHDZFIZZOF-MHZLTWQESA-N 424.452 4.717 0 1 HJAF Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1C(F)(F)F 587553094 DRYCKOAZRBUPAB-XJKSGUPXSA-N 407.369 4.879 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)C 587599014 ZPDLWNYSMRESOH-ZJSXRUAMSA-N 406.434 4.891 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2ccccn2)N1 587734806 VVCFAAMHPRITCS-ZSEKCTLFSA-N 415.281 4.948 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587738489 OXACRJZUVNXOHY-FKIZINRSSA-N 422.317 4.520 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3=O)cc2)N1 587769176 XSSMXQPKNQHMPE-ASSNKEHSSA-N 417.322 4.513 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587826109 GJZUWOLHNQOBMA-LHSJRXKWSA-N 420.322 4.848 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587832836 DDPNCEAPOCRJJS-XTGWTQTCSA-N 404.279 4.780 0 1 HJAF COc1ccc2c(c1)[C@]1(CCS2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587856571 IVBUISHJEIAYSM-JEOXALJRSA-N 408.336 4.870 0 1 HJAF Brc1ccn2cc([C@H]3NCCc4cccc(-c5ccccc5)c43)nc2c1 962669141 PDEXHKZBHYUTNF-JOCHJYFZSA-N 404.311 4.999 0 1 HJAF COc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(OC)cc3)o2)cc1 1857759656 IYHQJZHPHAXEEL-UHFFFAOYSA-N 401.422 4.673 0 1 HJAF CC1(C)C=Cc2cc([C@@H]3COc4c5c(cc(O)c4C3=O)OC(C)(C)C=C5)c(O)cc2O1 2356804486 XZXMEYSQXQNHCX-INIZCTEOSA-N 420.461 4.825 0 1 HJAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@@H]12 2356807116 WDTBQSJQTGAXSP-ZKIRYSRISA-N 406.563 4.586 0 1 HJAF O=C(N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 199411016 BALSDMMPZMCWIB-GOSISDBHSA-N 424.850 4.670 0 3 HJAF O=C(O)CCSCC(=O)COc1ccc(OCc2ccc3ccccc3c2)cc1 13472818 KYXPGHWOILGTJS-UHFFFAOYSA-N 410.491 4.575 0 1 HJAF COc1ccc(OC)c(/C=C\c2ccc(OC)c(C(=O)NCCc3ccccc3)c2)c1 13518024 GXBIXLMRLCKBTF-LUAWRHEFSA-N 417.505 4.855 0 1 HJAF CC[C@H]1[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)(C)[C@@H]1N1CCCCC1 17250210 ORGGZMATFTXBQJ-SMIHKQSGSA-N 421.581 4.755 0 1 HJAF COc1cc(Oc2ccncc2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1 37858294 WERIFZUGFNVEFZ-UHFFFAOYSA-N 422.828 4.951 0 1 HJAF O=C(Nc1cccc(OC(F)(F)F)c1)c1cccnc1SCc1ccncc1 38897869 FFCIDLHZHPKNLK-UHFFFAOYSA-N 405.401 4.920 0 1 HJAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC1CCN(Cc2ccc(O)cc2)CC1 45201296 JKALXQHZHYMOQK-XBXARRHUSA-N 419.352 4.741 0 1 HJAF CS(=O)(=O)Nc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1 58583220 LWGPHLONMRWVTF-UHFFFAOYSA-N 414.430 4.747 0 1 HJAF COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)OC(C)(C)[C@H](O)C4)cc2)c1 72175049 GOGURCQHUVHYFR-HSZRJFAPSA-N 404.462 4.656 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@@H]1CCO 95557631 DTHAZWISDCZITF-SFHVURJKSA-N 416.518 4.641 0 1 HJAF OCc1cn(C[C@@H](OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1 95574944 FODXSMBGDMILAD-GOSISDBHSA-N 412.704 4.689 0 1 HJAF O=C(CCCN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 101023314 CXQUOFVDYCOSEZ-NHCUHLMSSA-N 401.909 4.957 0 1 HJAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 104026522 LJEXSXALUYYERA-SADKCHQCSA-N 404.470 4.667 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(-n3ccnn3)c2)cc(-c2ccc3ncsc3c2)n1 141800140 JJSJAVWXIDKRHU-AWEZNQCLSA-N 413.510 4.816 0 1 HJAF Cc1cc(C)c(-c2n[nH]c(C)c2Cl)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 219062163 VLDUGILJZCXWON-UHFFFAOYSA-N 404.901 4.767 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2cc1OC 586879289 NOVDUNGXDNJCKO-UHFFFAOYSA-N 416.433 4.699 0 1 HJAF COC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21 586992095 NAUHNUYXYRETFQ-KRWDZBQOSA-N 407.425 4.632 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(S(C)(=O)=O)c(F)c4)nc13)-c1ccccc1C2=O 586996947 WTUBGLBTWAPTNO-UHFFFAOYSA-N 417.461 4.964 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587064654 LAWUZVZAXBQQEJ-UHFFFAOYSA-N 412.898 4.866 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(OC)nc4[nH]3)c(Cl)cc12 587078616 XLZJXJZQKNIFSG-LLVKDONJSA-N 413.861 4.819 0 1 HJAF CCCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br 587119079 WYEYHOAZPASPJS-UHFFFAOYSA-N 403.202 4.534 0 1 HJAF COc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(I)c1 587180714 XRUYPIRSHKSKCC-UHFFFAOYSA-N 402.594 4.636 0 1 HJAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587244435 ICNLYRYOLLHAFK-UHFFFAOYSA-N 402.788 4.634 0 1 HJAF O=C(c1c(Cl)cccc1Cl)c1c(CO)oc2cc(Br)cnc12 587276406 NZGNPOFVGUSVIE-UHFFFAOYSA-N 401.043 4.620 0 1 HJAF O=C(c1cc(Cl)nc2ccccc12)c1c(CO)oc2cc(Br)cnc12 587276958 VMMZGBGVYKNTJL-UHFFFAOYSA-N 417.646 4.515 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(C2CCOCC2)[C@H]1c1ccc(F)cc1 587333340 CPVYZMIBMXQXHI-UKILVPOCSA-N 419.452 4.607 0 1 HJAF CC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587345040 IGNHFUSNSQWJMF-XUZZJYLKSA-N 407.441 4.953 0 1 HJAF COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587384452 DLLDBROAXYQEHC-QFIPXVFZSA-N 405.425 4.876 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(Br)cc31)CC2=O 587461563 XRLGPWIHTUDEQM-HXUWFJFHSA-N 403.272 4.750 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cncc(C(=O)OC)c3)cc1)CC2=O 587487114 DJMKPCDCXGGIEK-QHCPKHFHSA-N 417.461 4.900 0 1 HJAF COC(=O)c1ccnc([C@H]2CCCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c1 587516018 TTWPOZHHKJDCCY-NLFFAJNJSA-N 405.494 4.809 0 1 HJAF CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587557473 RXZANEWUTAZAOG-LPHOPBHVSA-N 418.371 4.720 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1 587712249 KEMRCVHHJDQSHH-ZKANADHPSA-N 419.216 4.505 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(O)c2)N1 587720189 SCGKMSVMIJRJFQ-ZKANADHPSA-N 402.210 4.519 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccn2)N1 587730995 GMWUVDDWDYOWAE-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3)CC2)N1 587765062 BPEMTMBBJHIBOV-OAHLLOKOSA-N 403.339 4.614 0 1 HJAF Cc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587772685 GBJNWRNXXLINJE-RBZFPXEDSA-N 412.306 4.977 0 1 HJAF COc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1O 587785643 DUYGHUWSFJWUHG-UHFFFAOYSA-N 403.154 4.605 0 1 HJAF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC 587802256 QRYBELLXGLSXOA-YUNKPMOVSA-N 408.311 4.928 0 1 HJAF COc1ccc(CNc2ncccc2-c2cc(C(=O)NC3CCCCCC3)on2)cc1 621428618 KDRFJSZBADDZGO-UHFFFAOYSA-N 420.513 4.810 0 1 HJAF COc1ccc2c(c1)[C@](c1ccccn1)(c1c(N)sc3c1CCC3)N(C(C)C)CC2 962093223 SRCBBFKINHSBOS-VWLOTQADSA-N 419.594 4.781 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1cc(Cl)ncc1C(F)(F)F)N(C)[C@@H](C)C2 962636776 SYKZGRXHILSXSB-BTDLBPIBSA-N 400.828 4.737 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2ccn(C3CCCC3)c2)N1 962921110 FYRKAJJDBOHEFQ-ZEQRLZLVSA-N 418.493 4.789 0 1 HJAF CC1=CC2(C=C(C)N1C[C@H](C(=O)O)c1ccccc1)NCCc1c2sc(C)c1C 963016057 XIQKPUJZSDJWBV-NRFANRHFSA-N 408.567 4.698 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](Cc2ccccc2)(C2CC2)N1 963178411 JUTRELSKROVDLS-UYAOXDASSA-N 409.835 4.806 0 1 HJAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(O)nc4ncccc43)CC2)[C@@H]1c1ccccc1 1772589406 LXUUSGOHHUQMAK-ZHALLVOQSA-N 406.486 4.593 0 1 HJAF COc1ccc(-n2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 1857756149 ARVDEVGSGHCYCX-UHFFFAOYSA-N 407.267 4.824 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@@H]4CC=C(C(=O)N1)[C@H]32 2356431562 VQIAIGUFXCMWQU-RWYVRDMDSA-N 413.602 4.757 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1 2356472179 NEFYKPBXUDOECH-OFVILXPXSA-N 422.477 4.672 0 1 HJAF C[C@@H]1CC[C@]23C[C@]2(C)CCC[C@@H]3[C@]1(C)CCC1=CC[C@](O)([C@@H](CO)CC(=O)O)OC1 2356656174 RFKUHBLGCIYMDR-LCHGBMQSSA-N 420.590 4.518 0 1 HJAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61906928 FGVNMTSPLCWGKA-AREMUKBSSA-N 415.537 4.705 0 3 HJAF COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2Cc1cc(F)cc(F)c1 205226407 CSEDZUBXKVWHER-UHFFFAOYSA-N 413.395 4.843 0 3 HJAF Clc1ccc2c(c1)[C@@]1(CN3CCC(Nc4ncccn4)CC3)C[C@@H]2c2ccccc21 606550 WQRWGWWLRZNMDS-PXDATVDWSA-N 416.956 4.842 0 1 HJAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@@H]1O 774936 YDEONWVRKZOZQV-MOPGFXCFSA-N 424.472 4.580 0 1 HJAF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4055975 IKRDPUBJRXEAHA-GGAORHGYSA-N 420.896 4.627 0 1 HJAF COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4211024 KMLVBNVNSGPFLQ-GMAHTHKFSA-N 420.896 4.757 0 1 HJAF Cc1oc(-c2cccs2)nc1Cn1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 9724797 LCMSROHYBUPYAA-UHFFFAOYSA-N 416.506 4.784 0 1 HJAF O=C(c1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1)N1CCCCC1 13779659 GZJOGWXWIJOLEL-UHFFFAOYSA-N 413.565 4.788 0 1 HJAF COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCCCc3ccccc3)C1)CC2 22930474 AFBXEXUTQNLGKW-VWLOTQADSA-N 422.613 4.939 0 1 HJAF CN1C(=O)CN=C(c2ccc(C(=O)O)cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C 27422529 MIPNSMBCJILFGD-UHFFFAOYSA-N 404.510 4.548 0 1 HJAF Cc1oc(-c2ccccc2)nc1COc1ccc(CC[C@@H]2SC(=O)NC2=O)cc1 29320375 FFVKZGIHQUNIFM-IBGZPJMESA-N 408.479 4.513 0 1 HJAF COc1c2cc(c(O)c1OC)CCCC[C@@H]1OC(C)(C)O[C@H]1Cc1ccc(O)c-2c1 40421136 LGOUSRFEXBDUON-PMACEKPBSA-N 414.498 4.571 0 1 HJAF biogenic CC(=O)N(C)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 66080107 GFKVOQBTSPFNPD-UHFFFAOYSA-N 420.538 4.621 0 1 HJAF CC(C)(C)c1cc([C@H](O)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O 82052704 JBONQZVAYLLQER-HXUWFJFHSA-N 405.475 4.886 0 1 HJAF c1ccc(N2CCN(c3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)CC2)nc1 82067322 MWZTYTXGMCACSJ-UHFFFAOYSA-N 423.476 4.890 0 1 HJAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CCN1CCCCC1 82186152 YRLYNXFPEPCRLS-UHFFFAOYSA-N 422.577 4.590 0 1 HJAF COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4/C=C/c3ccc(F)cc3)c2c1 84618647 KKIAVGVHWRBVHC-OVQBCTISSA-N 418.512 4.840 0 1 HJAF O=C1Nc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc3cccc1c23 84619617 NCNAYZFCZQVAJX-UHFFFAOYSA-N 416.458 4.999 0 1 HJAF COc1cccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)c1 96285751 ALIDSDBNLAFHMA-UHFFFAOYSA-N 417.509 4.524 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccccc1 103226422 CRDBYVUBLWCGEO-HSZRJFAPSA-N 422.406 4.518 0 1 HJAF C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103897746 IDDZMUJGOPKBGR-KRWDZBQOSA-N 416.550 4.953 0 1 HJAF CC(=O)c1ccc(Oc2ccc(-c3cccc([C@@H](O)CO)n3)cc2)c(C(F)(F)F)c1 114627568 SHWCRDCCUZVTKN-FQEVSTJZSA-N 417.383 4.788 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1)c1ccncc1F 116820280 ZZXATCCXNXZJSE-UHFFFAOYSA-N 408.330 4.694 0 1 HJAF C[C@@H]1CC[C@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 169294302 IDEDPGPONCPOBU-DVMWJLJYSA-N 414.343 4.759 0 1 HJAF COc1cc([C@@H]2C[C@H]3[C@@H]2c2c(c4ccccc4[nH]c2=O)OC3(C)C)cc(OC)c1OC 169334486 DFFLLTHIHCYQCK-TWOQFEAHSA-N 421.493 4.612 0 1 HJAF Fc1ccc(OCCCn2c3c(c4cc(Br)ccc42)CNCC3)cc1 169350513 JBPYXVMBRNPGTR-UHFFFAOYSA-N 403.295 4.658 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(CC4CCOCC4)C3)cc12 226073440 TZAPJJSBUQAKJK-KRWDZBQOSA-N 409.505 4.594 0 1 HJAF COc1ccc2cc(C(=O)NCCCN3CCC(Cc4ccccc4)CC3)ccc2c1 473111850 BJTGZJWWRAYVMS-UHFFFAOYSA-N 416.565 4.923 0 1 HJAF COc1cccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587032331 STICKIILOBIWCB-KYJZABPNSA-N 400.529 4.698 0 1 HJAF Cc1cc(Cl)ccc1OCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587065878 BPCWDXQICLGSQA-UHFFFAOYSA-N 405.207 4.950 0 1 HJAF C[C@]1(c2c(F)c[nH]c3nccc2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328995 BOROPAUVQNLGSN-CVDCTZTESA-N 406.388 4.773 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)ccc12 587544921 LJKCWTMLBCNUHN-UGKGYDQZSA-N 423.262 4.958 0 1 HJAF COc1cccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 587656641 HUIUDUPRFMEKLM-UHFFFAOYSA-N 421.428 4.949 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)(F)F)N1 587706524 QNYFOUQEWMFQQJ-JDNHERCYSA-N 420.200 4.746 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)F)N1 587717093 FHCLVOLWFOPYDV-JEOXALJRSA-N 412.249 4.856 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1 587718383 ISZUUELSERWSBS-ZKANADHPSA-N 400.194 4.533 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2N)N1 587751736 YVSUJOKZTNZMQI-PEBXRYMYSA-N 411.318 4.997 0 1 HJAF CCCOc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Br 587784044 DDRDWOHKLYXMKD-UHFFFAOYSA-N 407.264 4.504 0 1 HJAF COc1ccccc1-c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)on1 587791028 DZMGIVNGNNBIAL-PRWKNARSSA-N 417.278 4.875 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)S1 587855241 IBAFDHWFNJVYBY-FVMDXXJSSA-N 423.355 4.652 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)c1 587931113 FVFKFXYXYLSQHG-UHFFFAOYSA-N 412.424 4.794 0 1 HJAF Cc1ccnnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 653760614 GNHDWHCUPZGNMH-UHFFFAOYSA-N 411.461 4.710 0 1 HJAF Cc1cccc2c1[C@]1(c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N13)c1ccccc1-2 962676939 YECQSNOUZKCPSL-NSOVKSMOSA-N 420.512 4.914 0 1 HJAF COc1ccc([C@@]2(C(C)(C)C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(F)c1 962706032 GWCUNDPHAOPXSQ-NQIIRXRSSA-N 409.423 4.770 0 1 HJAF CC(C)Oc1ccc([C@@]2(CC3OCCO3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963100673 ISQHKPGSNQZURZ-CPJSRVTESA-N 411.517 4.640 0 1 HJAF CC(C)=CCC/C(C)=C/Cn1cc(CN2CCS(=O)(=O)CC2)c2cc(F)ccc21 1772645700 DBTSFVSQBVBPMN-DJKKODMXSA-N 418.578 4.704 0 1 HJAF Clc1ccc(-c2nc3ccc(-c4ccccn4)cn3c2CN2CCOCC2)cc1 1857654262 KSWKOYXMJQOHCJ-UHFFFAOYSA-N 404.901 4.549 0 1 HJAF C[C@@H](C(=O)NCC1CC1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 6202051 AABYLPRACHMDSN-DDKMDXNESA-N 420.553 4.843 0 3 HJAF O=C1C(=O)N(Cc2ccc(-c3ccc(F)nc3)cc2)c2ccc(OC(F)(F)F)cc21 45357706 AWIDPYRUVXANEO-UHFFFAOYSA-N 416.330 4.516 0 3 HJAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(-c3ccc(O)cc3)oc2=O)cc1 13581324 VIVAKNAVLHNDRM-UHFFFAOYSA-N 418.470 4.750 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2occc2[C@H]1CN1CC=CCC1 13737727 FHBKJHTVSFYHEK-LJQANCHMSA-N 405.325 4.517 0 1 HJAF COC(=O)c1ccc(COc2ccc(Nc3nccc(-c4nccs4)n3)cc2)cc1 40899127 VBYMJVIYBKLGQT-UHFFFAOYSA-N 418.478 4.709 0 1 HJAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN1CCCCC1)[C@@H]3c1cccc(O)c1 45351704 KAWLEOFRFLUVTP-AREMUKBSSA-N 417.553 4.532 0 1 HJAF CCN1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4sccc4C)ccc3n2)CC1 45372359 IBVPEBKERLTFJJ-BQYQJAHWSA-N 420.582 4.707 0 1 HJAF O=c1nc(Nc2ccccc2-c2ccccc2)nc(NCc2ccc3cc[nH]c3c2)[nH]1 64503660 CXDPPFXZWJCKEO-UHFFFAOYSA-N 408.465 4.669 0 1 HJAF N=C(Nc1ccc(Cc2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1 84723361 STECNJWRYJOGBF-UHFFFAOYSA-N 406.493 4.942 0 1 HJAF CC(C)c1ccccc1NC[C@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O 95591005 AZDPZNROINPLMZ-SFHVURJKSA-N 409.526 4.940 0 1 HJAF CCC(=O)[C@@H]1[C@@H](c2ccc(/C=C(\C)I)cc2)C[C@H]2CC[C@H]1N2 100911978 FMZWUJWDVRSFBN-QOSUKJIISA-N 409.311 4.686 0 1 HJAF COC(=O)Sc1nc2cc(N3C(=O)C4=C(CCCC4)C3=O)c(Cl)cc2s1 103203801 WXBRKSZALNWYMD-UHFFFAOYSA-N 408.888 4.552 0 1 HJAF C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 142827123 NXQHNMMSSKQLOJ-QZTJIDSGSA-N 417.513 4.920 0 1 HJAF O=C(CCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167898932 IIFMFEINOPYOOW-UHFFFAOYSA-N 408.465 4.586 0 1 HJAF CCCCn1c(O)c2n(c1=O)[C@H](c1cccc(Cl)c1)c1[nH]c3ccccc3c1C2 169717786 FZLIZEDIIINGGS-OAQYLSRUSA-N 407.901 4.832 0 1 HJAF Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cc2F)cn1 224764433 YMEHUIOOALGRRQ-UHFFFAOYSA-N 414.406 4.927 0 1 HJAF NC[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1 261149408 ONZOUDQIBCDEGX-SAABIXHNSA-N 422.964 4.734 0 1 HJAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)OCCCO5)ccc12 586918050 HRRYGDBPWAZQJQ-UHFFFAOYSA-N 420.465 4.752 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4cc(Cl)nc(Cl)c4[nH]3)n2C)cc1 586964957 GWKIKKCXWNBXJD-UHFFFAOYSA-N 405.314 4.661 0 1 HJAF CC(C)(C)OC(=O)NC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586988801 RDHMJFHZSPKMMI-CYBMUJFWSA-N 416.477 4.706 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)c(F)ccc3[nH]2)s1 587024022 ZTKSVYRTHGOUFY-UHFFFAOYSA-N 413.272 4.935 0 1 HJAF COc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(Cl)n1 587083568 AUENNPFRVJYELX-UHFFFAOYSA-N 422.588 4.948 0 1 HJAF COCc1nc2c(C)ccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O 587102346 WELVZJLEVQWIGL-UHFFFAOYSA-N 403.478 4.597 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587147385 PGPVFWGLEOKBFX-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587203224 JPNQYLRNQHODAI-UHFFFAOYSA-N 408.355 4.636 0 1 HJAF Cc1cc(F)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1 587238329 CDJUYWWXVQDXKA-OIAISFKWSA-N 403.498 4.565 0 1 HJAF CCn1ncc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587330239 NEXSWXDMQFOVQR-DENIHFKCSA-N 416.399 4.576 0 1 HJAF CCOC(=O)C[C@]1([C@@H](C)CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349033 OXLJCTRGNFZIMI-OAJKGFPOSA-N 400.446 4.628 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(C)Cc1ccccc1Cl)CC2=O 587459814 DQZDBQIISJTYJY-QHCPKHFHSA-N 415.917 4.771 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1nccc3ccccc13)(c1nccn1C)CC2=O 587469796 FVYJAIZOILHPBI-VWLOTQADSA-N 413.477 4.535 0 1 HJAF Cc1ccc2c(c1N)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587507884 CLYGTNSPWSICRK-MHZLTWQESA-N 409.485 4.909 0 1 HJAF C[C@@]1(c2ccc(-n3cccn3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558150 QNVAWEGNANSMJN-URXFXBBRSA-N 416.408 4.594 0 1 HJAF CCOc1ccc(-c2nn(Cc3ccsc3)c(=O)c3ccccc23)cc1OCC 587670183 IMQYTJRPVODCRE-UHFFFAOYSA-N 406.507 4.971 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587727334 ODLQQLCKPZVJQC-KWKYVRJSSA-N 412.665 4.832 0 1 HJAF C[C@@H](C[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587730649 JTDYGUFTBPBJSQ-ZBUHCNDUSA-N 424.285 4.616 0 1 HJAF COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805630 ICBJEDCVORAZPD-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF CSc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587846320 QOCPMJVHBAPEIQ-GIGQVBGESA-N 424.335 4.705 0 1 HJAF COc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587861721 BULPSYULZDULMR-CYBMUJFWSA-N 420.387 4.694 0 1 HJAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587938680 YRBVXXVCKYGUEF-ABKXIKBNSA-N 400.784 4.961 0 1 HJAF O=C(O)Cc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 587961189 KHBUQHDIYBPCMK-UHFFFAOYSA-N 413.193 4.562 0 1 HJAF Cc1ccc([C@@]2(CC(=O)C(C)(C)C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962703396 BLOQZQCJPKJTPY-WMZHIEFXSA-N 417.471 4.890 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(OC(F)(F)F)c2)N1)C(F)(F)F 962731250 QRWSEROEYVXOCE-HIFRSBDPSA-N 423.740 4.974 0 1 HJAF COc1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c2cc(C(=O)O)oc12 963105464 JQRQPZQBWBPTPY-FQEVSTJZSA-N 406.265 4.856 0 1 HJAF CCCCC[C@@]1(CC(=O)c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963216638 ACYQEICJXQRFHT-OZXSUGGESA-N 416.521 4.882 0 1 HJAF C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H](C)N1C(=O)Nc1ccc(Cl)cc1 1857614679 GILHKVVZBHYOOG-GJZGRUSLSA-N 411.889 4.853 0 1 HJAF COc1ccc(C2=NN(C/C=C/c3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26569764 KKMHBNSEVLDXRU-GEDDFEBSSA-N 404.510 4.770 0 1 HJAF O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@H](O)CCc1cccc(OC(F)(F)F)c1 28571571 MUMKGUWBPCCLCG-NJDAHSKKSA-N 421.459 4.611 0 1 HJAF Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)o1 38147485 POGKUYUDXQCYOH-UHFFFAOYSA-N 401.850 4.565 0 1 HJAF CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@H](C(=O)O)c1ccccc1 38149629 XBMKRWIORLIFDX-HNNXBMFYSA-N 421.337 4.651 0 1 HJAF Cc1ccc(-n2nccc2[C@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 38359309 FEGZSXIOQDZBHO-GOSISDBHSA-N 409.964 4.571 0 1 HJAF COc1ccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1 40567902 HOEMUOSZMPZXPX-MRXNPFEDSA-N 405.292 4.882 0 1 HJAF CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C 40865314 LEQZPZLQSCHFOS-HXUWFJFHSA-N 423.582 4.951 0 1 HJAF COc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN3CCCC3)c2=S)cc1 66099570 YICJGYIVIPYZBM-UHFFFAOYSA-N 400.935 4.786 0 1 HJAF COc1ccc(CCNc2cc(Oc3ccccc3F)ncn2)cc1Br 82067455 NKBGKDFIQJEKMI-UHFFFAOYSA-N 418.266 4.834 0 1 HJAF O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 82078134 DGNWKHZURKROPN-HXUWFJFHSA-N 419.462 4.884 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@H]1CCCN1C 82178107 ZHBGHNOAWQLXFP-PZJWPPBQSA-N 420.605 4.725 0 1 HJAF c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(N[C@@H]4CCCNC4)n3)ccc2c1 95592420 QTZBCHXGQNTVCK-OAQYLSRUSA-N 420.520 4.800 0 1 HJAF Cc1nn(Cc2cc(F)cc(F)c2)c(C)c1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12 96282977 PGSYBTKGCJXUAV-UHFFFAOYSA-N 418.451 4.770 0 1 HJAF Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 142907665 XPXDUFBCXYPOFW-GOSISDBHSA-N 409.493 4.533 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 195151929 WFKXCGWVYJNIRE-SNQVAXDBSA-N 404.547 4.580 0 1 HJAF CC1(C)Oc2cc(C34C[C@H]5C[C@@H](CC(CN)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 299866236 VMFGSNGSDBUNLT-NEYOPQAZSA-N 411.586 4.605 0 1 HJAF COc1ccc(-c2ccc(CNCc3cc(OC)c(OC)c(OC)c3)o2)cc1Cl 473123254 UQZCSJXFXNWNJA-UHFFFAOYSA-N 417.889 4.924 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(Br)c2[nH]1 587111669 AALRXXLRIYACSC-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF Cc1c(Br)cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1C 587130504 MIUBZKNOTIPPCQ-UHFFFAOYSA-N 401.251 4.561 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 587239905 BCTSVDVSPHLPSO-UHFFFAOYSA-N 417.849 4.723 0 1 HJAF COc1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358220 PTSFQYSVEAZNKX-ZCYQVOJMSA-N 420.436 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)O2 587406088 FMCGSTYIFBJQTI-CPJLOUKISA-N 401.462 4.674 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587427997 KZEJLWCRVSTSHL-XDHUDOTRSA-N 421.493 4.658 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Br)cc1OC)CC2=O 587467341 SXABXJLKWDFGJZ-KRWDZBQOSA-N 409.251 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccc3ccccc13)CC2=O 587479775 JEXATCTWTCDEOZ-VWLOTQADSA-N 404.462 4.922 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C1)CC2=O 587490618 ZEEMFKVNRBLQCS-YPCHGGDPSA-N 415.530 4.716 0 1 HJAF COc1cc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl 587501721 CQDWHCCSXYRHJC-QHCPKHFHSA-N 414.885 4.953 0 1 HJAF CN(C)/C=C\[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568139 DAUMLMLHJSXBRH-VXHYBJJMSA-N 423.415 4.603 0 1 HJAF Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587571496 LHIBQOMIIANBEN-XBKUESJASA-N 401.462 4.633 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1Cl 587693242 MVZUNQIXGYJGPO-LZVRBXCZSA-N 414.702 4.882 0 1 HJAF COc1ccc(C)cc1C(=O)CCc1nc2c(Br)cnc(Cl)c2[nH]1 587788138 WYJYJXKFJAAWAJ-UHFFFAOYSA-N 408.683 4.506 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587791297 LIOOYPCTHFGXDP-SBKAZYGRSA-N 423.326 4.508 0 1 HJAF Cc1ncc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nc1Br 587941749 QQALGIOMJHLRPI-VHDGCEQUSA-N 408.340 4.883 0 1 HJAF Cc1nc2ccccc2c(=O)n1CCCc1ccc(-c2cnc3ccccc3n2)cc1 653830128 NAFOVVBDWWUJIY-UHFFFAOYSA-N 406.489 4.948 0 1 HJAF CCOC(=O)Nc1ccsc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962717837 WRHOONROFUHGGU-ACJLOTCBSA-N 406.548 4.909 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)[C@H](C)Oc1ccccc1-n1cccc1 963613673 VNQBRNRQZYUUOM-RPPIVITFSA-N 406.526 4.711 0 1 HJAF Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 1857762505 WLSCYTZXIQSDLZ-UHFFFAOYSA-N 408.889 4.908 0 1 HJAF O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc2ccccc12 1857769007 OFAQEAMUMOULJB-UHFFFAOYSA-N 402.494 4.952 0 1 HJAF CC(=O)O[C@@H]1C[C@](C)(O)C=CC[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@H]12 2356522505 JRJQERYJSFEBBL-MZKZSIKDSA-N 406.563 4.586 0 1 HJAF CC1=C[C@H](CN2CCC(O)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356575722 YIBSDJRDIBRCNU-CQOQZXRMSA-N 423.601 4.899 0 1 HJAF CCCCC[C@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2C=C[C@H]1O 2356589281 WLRAIWMXLNQMDK-FYYLOGMGSA-N 410.466 4.799 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(F)cc1Cl 4153229 WBQSPRIOLYAWBI-PZJWPPBQSA-N 418.896 4.886 0 1 HJAF Cc1cc(C)c2nc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)sc2c1 5106651 KODHCZGOJPHNFZ-UHFFFAOYSA-N 405.567 4.714 0 1 HJAF COc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1 13610179 YJZXOHGTXJWCGV-UHFFFAOYSA-N 413.481 4.529 0 1 HJAF Clc1ccc([C@H]2OCO[C@]2(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 26004959 YQXVWEIGSWVVEF-QZTJIDSGSA-N 410.688 4.879 0 1 HJAF CN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 26957590 OKVPDEXTEJGPIM-SBRWTRJKSA-N 406.570 4.563 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@@H](O)c3cccc(C)c3)CC2)cc1 39238990 COBAOKOUJPXTJY-SXOMAYOGSA-N 416.565 4.596 0 1 HJAF COc1c(-c2ccccc2)cccc1N(C[C@H]1CCCN1)C(=O)COc1ccccc1 40421948 MTZUEIXZBFKQAY-OAQYLSRUSA-N 416.521 4.526 0 1 HJAF CC(C)N(CC[C@](CCCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C 40802278 IBSQBSLAQJXMDD-DEOSSOPVSA-N 422.057 4.838 0 1 HJAF CC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3c(Br)cccc23)cc1 72110336 RKCAMRCDULMSHK-UHFFFAOYSA-N 407.271 4.839 0 1 HJAF Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 73224796 NLEICRWEWYYTNA-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCc1ccccn1 82177859 QUOHPHPQTBMNAT-UHFFFAOYSA-N 406.921 4.852 0 1 HJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3C)c2cccc(O)c2)cc1 100818884 KRJKWYYZMUDKJR-DHIUTWEWSA-N 404.554 4.933 0 1 HJAF Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(C(=O)NC3CCCCC3)c2=O)cc1 103262289 ZVILMDFEAURYHV-UHFFFAOYSA-N 410.905 4.553 0 1 HJAF Cc1c(S(=O)(=O)Nc2cccc(CC(=O)O)c2)sc2ccc(C(C)C)cc12 114593373 APBRKHSWYFZYHC-UHFFFAOYSA-N 403.525 4.761 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169368931 XZGUOAXOYPYCGD-DSRXYROYSA-N 400.607 4.645 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc4c3CC[C@@H]4N=O)n2)cc(OC)c1OC 169686084 DHWMHOBCXIDJSM-INIZCTEOSA-N 422.441 4.792 0 1 HJAF COC1CCC2(CCc3ccc(-c4cncc(Cl)c4)cc3[C@@]23N=C(C)C(N)=N3)CC1 211023945 PPPNFACLMPPXHQ-BOYUCYPVSA-N 422.960 4.908 0 1 HJAF Oc1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978860 AAUDWPCOXQVWDH-UHFFFAOYSA-N 403.461 4.509 0 1 HJAF O=c1cccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1CCOc1ccccc1Cl 587064377 RJBDPFRMSOHQHY-UHFFFAOYSA-N 419.790 4.541 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc3nc(C4(F)CCCCC4)[nH]c3c2)cc1 587131734 BTKCGJHNKBYVNW-UHFFFAOYSA-N 403.479 4.501 0 1 HJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(OC)c(OC)cc3[nH]2)c1 587147185 KHBOKOCFBWDWDK-UHFFFAOYSA-N 422.412 4.760 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4cc(Br)c(F)cc4[nH]3)c2Cl)c1 587162335 VOHCRJBCAOMUKX-UHFFFAOYSA-N 424.636 4.564 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(F)cc(F)c32)[C@@H]1c1ccc(F)cc1 587338742 VGIROZCLENDXAS-OFNKIYASSA-N 412.363 4.846 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCOc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427463 HVWFOBLAWFPFDU-OFVILXPXSA-N 404.437 4.946 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccccc1C)C(=O)OCC)CC2=O 587476925 BOXSXKBKWWSVRA-CJFMBICVSA-N 410.510 4.799 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(Br)c1 587540767 QXUDEBFONJPNHL-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccnc2)ccc1O 587586199 JGGWSQCDUDESDT-WIOPSUGQSA-N 411.413 4.863 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794058 SNMVDJARNUSUIS-WVDJIFEKSA-N 423.326 4.673 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)nc(COC)n1 587865359 WRGMLYSTJNOALF-UHFFFAOYSA-N 412.799 4.547 0 1 HJAF COc1cc([C@@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)ccc1C 963100603 KHRJXRFJBDIRTB-DFBJGRDBSA-N 411.517 4.908 0 1 HJAF Cc1nn(-c2ccccc2)c(O)c1C(=O)C[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963114444 SZUGEBJEMOOXQH-CPJSRVTESA-N 419.500 4.534 0 1 HJAF CCc1ccc(OCc2cc([C@H]3NCCc4c(C(=O)O)cccc43)ccc2OC)cc1 963129953 HMINMLUNFXORTA-RUZDIDTESA-N 417.505 4.770 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]2(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 963257391 JKVRCDJUNWGVCA-WAIKUNEKSA-N 420.981 4.889 0 1 HJAF CS(=O)(=O)c1ccc(-c2cccc(C(=O)NCc3cccc4ccccc34)c2)cc1 3600304 NOVMORZIOSUEIC-UHFFFAOYSA-N 415.514 4.840 0 1 HJAF O[C@H](CNCCC(c1ccccc1)c1ccccc1)COc1cccc2ncccc12 13652251 FBHBUWSWWUZJCZ-HSZRJFAPSA-N 412.533 4.786 0 1 HJAF O=C1NS(=O)(=O)N(Cc2cccc(-c3ccccc3)c2)c2c1sc1ccccc21 13805286 RHQRDIAGDRKBPM-UHFFFAOYSA-N 420.515 4.563 0 1 HJAF CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCCC1 13836515 VOMWVPBXPITBHJ-ZRLJFWBXSA-N 420.590 4.812 0 1 HJAF O=C(O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c(OC(F)(F)F)cccc12 35087105 HTANNDLMAVEGSV-UHFFFAOYSA-N 402.328 4.609 0 1 HJAF Cn1c(=O)cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc21 36126677 UGDQKRGYVYUTTP-VMPITWQZSA-N 407.945 4.782 0 1 HJAF CC(C)N(C)c1nc2ccc(NC(=O)c3cncc(-c4ccc(F)cc4)c3)cc2[nH]1 40428742 OLYJZGBQHUBNII-UHFFFAOYSA-N 403.461 4.861 0 1 HJAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@]3(C)CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 40917167 FFRRRORQFBLEJM-GXACPUAJSA-N 406.607 4.868 0 1 HJAF CC(C)=CCc1cc([C@H]2Oc3cc(O)c(CC=C(C)C)cc3C(=O)[C@@H]2O)ccc1O 43074582 YELBDRXMPXVGQT-LOSJGSFVSA-N 408.494 4.793 0 1 HJAF biogenic CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)c(F)c(OCC)c1 49017384 HLJJIAHWHFVNJB-UHFFFAOYSA-N 413.493 4.841 0 1 HJAF C[C@H]1CC[C@H]2C(=O)O[C@H](Cc3ccccc3)CN2[C@@H]1c1ccc(Br)cc1 64502283 IDEDPGPONCPOBU-ZFCZOSEKSA-N 414.343 4.759 0 1 HJAF CCCC1(CCC)c2c(ccc(OC)c2OC)CC2=[N+]1CCc1cc3c(cc12)OCO3 72105252 HXDCYEQZPFQFKE-UHFFFAOYSA-N 422.545 4.842 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)C1 82152362 KXHPTJVJYYSCMX-QGFMHUBQSA-N 424.564 4.883 0 1 HJAF CCCCCCCCCCCCNC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)[C@@H](C)O 143391196 AGEMITJJYWVUMH-WKYFRGRKSA-N 416.606 4.603 0 1 HJAF [C-]#[N+]c1cccc(Cl)c1-c1nc2ccnc(Nc3cc(CO)nc(C)n3)c2s1 169701533 NYHBQEIWKXYEKL-UHFFFAOYSA-N 408.874 4.897 0 1 HJAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 169723930 UXPBCCWDGQWFOL-DOTOQJQBSA-N 411.420 4.668 0 1 HJAF CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(F)nc2)c(Cl)c1 473106389 WVUWGBPQSNOYEU-CQSZACIVSA-N 405.886 4.740 0 1 HJAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586951684 USSAOYYZRWSMGR-UHFFFAOYSA-N 416.553 4.518 0 1 HJAF CCCCCOc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br 586957987 BVOROWCKKSUSQX-UHFFFAOYSA-N 415.353 4.947 0 1 HJAF O=C(O)c1cc(F)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587001265 MNEPNDRIJSKWCZ-UHFFFAOYSA-N 415.218 4.895 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(F)c(F)c3[nH]2)c1 587048573 KBDWSAAGQMSPLW-HJWRWDBZSA-N 418.831 4.885 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(N)nc5ccccc45)[nH]c3c2)cc1 587253845 LZMAEFIQGNWOMH-UHFFFAOYSA-N 410.433 4.939 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2 587407362 HJSKLSUNWGDRKO-PUAOIOHZSA-N 421.493 4.800 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOC)c(OCC)c1)CC2=O 587481346 LGNPCWMTTCLSFA-JOCHJYFZSA-N 414.498 4.865 0 1 HJAF NC(=O)c1ccccc1OCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587510636 MKNSHLNYHDTSNZ-HSZRJFAPSA-N 417.461 4.543 0 1 HJAF C[C@@H](Oc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587523816 PWTWMOTVUAEUQS-PUAOIOHZSA-N 408.494 4.774 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2cccnc2)ccc1O 587586196 JGGWSQCDUDESDT-RCZVLFRGSA-N 411.413 4.863 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Br)c2)N1 587675955 CDXWTPDILCSXIS-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)cc2F)N1 587720122 RSOPFRLPFJNJGZ-ZKANADHPSA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2-n2cccn2)N1 587732549 OBDZDFMHXPQBTM-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1 587753814 JTKOZLWWEUJSKR-DIFFPNOSSA-N 409.299 4.797 0 1 HJAF C/C(=C/[C@]1(c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587854190 QJCAXAUKQVLJRX-MWYUGXRYSA-N 409.368 4.893 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1nc(C)c(Cl)c1C 587871216 QJPPXKXOQBRYSX-QGZVFWFLSA-N 404.873 4.846 0 1 HJAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc([C@H]2CO2)ccc1F 653735660 LRYSPAYPTLSCTF-GOSISDBHSA-N 420.506 4.654 0 1 HJAF NC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)cc2)cc1 752458370 ZADHSJIAOKUORX-UHFFFAOYSA-N 418.468 4.737 0 1 HJAF CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(OC)cc3[nH]2)C[C@@H]1C(C)C 2356384173 CFXRZRDMAVOZLH-CMKODMSKSA-N 412.578 4.678 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2C[C@@H](OC(C)=O)C(C)=CCC1 2356458300 KOCINJBLZIFNLK-YCAMKHIRSA-N 406.563 4.731 0 1 HJAF CCC[C@H](CC(=O)OC)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](C)[C@@H](C)C2=O 2356566874 YDWPHDXVXDIEMH-HZSPNIEDSA-N 402.487 4.623 0 1 HJAF N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)cc3Cl)o2)c(Cl)c1 6525216 SEUQKSILENGZBY-UHFFFAOYSA-N 403.273 4.531 0 1 HJAF biogenic Cc1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O 26940548 UQEBZINMWIBVPD-UHFFFAOYSA-N 418.493 4.936 0 1 HJAF CCN(CC)CCCOc1cc2c(cn1)[C@H](c1ccc(Cl)c(Cl)c1)CNC2 28883535 JQKPNPNQXMEIDL-KRWDZBQOSA-N 408.373 4.734 0 1 HJAF O[C@@H]1CCc2cc(F)cc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127328 JWRFJKHYBQZYIN-MRXNPFEDSA-N 403.379 4.895 0 1 HJAF COc1ccc([C@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 42964422 MYCWRRSOZISJTQ-ICSRJNTNSA-N 404.919 4.640 0 1 HJAF O=C1Nc2cc(F)ccc2[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1 72142706 FMLRXMFPOCCESX-HXUWFJFHSA-N 401.913 4.507 0 1 HJAF COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3CCC(C)CC3)n2)cc1 82066065 LUHSDVRHWNOMSE-UHFFFAOYSA-N 419.529 4.829 0 1 HJAF COc1cc2nc(N3CCC(C)CC3)nc(NCCc3ccccc3)c2cc1OC 82127499 BPJUSEAWDXTZDG-UHFFFAOYSA-N 406.530 4.538 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccc2)n1 167089600 AJINUHRTDLBLGI-UWJYYQICSA-N 402.494 4.876 0 1 HJAF Cc1ccc(C(C)(C)C)c(S[C@@H]2C(=O)C[C@@H](CCc3ccc(O)cc3)OC2=O)c1 169684796 OECDNPOMGNJUPW-XMSQKQJNSA-N 412.551 4.976 0 1 HJAF CSc1ncc2c(n1)CCN(c1cc(C(=O)Nc3cccc(C(C)C)c3)ccn1)C2 215909909 AIQCVXMYDYCOFE-UHFFFAOYSA-N 419.554 4.532 0 1 HJAF CN1C(=O)CCc2cc(-c3cncc(COc4ncccc4C(F)(F)F)c3)ccc21 220968837 JEOUUVHDJALODO-UHFFFAOYSA-N 413.399 4.650 0 1 HJAF CC(=O)O[C@H]1C[C@](C)(OC(C)=O)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 238766213 GUBKYEIHAMSZRO-XJZYJHQHSA-N 406.563 4.586 0 1 HJAF Cc1cc(Cl)cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586939474 URFIVHQEQIRSTG-MRXNPFEDSA-N 412.342 4.854 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(F)cc(F)cc4[nH]3)cc2cc1Br 586997419 CDFXNWSNLLJZKH-UHFFFAOYSA-N 421.197 4.776 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1 587123160 HAEZUEVCBQWVPH-KSBSHMNSSA-N 418.192 4.636 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 587160313 AQOQPXUWSGCBNV-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF Cn1ccnc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343089 RPLJTOAKCRFBIZ-FBJLLXQBSA-N 406.457 4.720 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587348560 DLDYZDSNYAYEFG-UKILVPOCSA-N 420.436 4.959 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COCC(F)(F)F)o1 587546458 JZZOIAOCQDRSLG-FXAWDEMLSA-N 420.339 4.767 0 1 HJAF COc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587757112 MYVQPKXHHXVNGR-JEOXALJRSA-N 403.295 4.712 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(Cc3ccccc3)c2)N1 587762046 CQFHJXMUQBKCPB-SPLOXXLWSA-N 414.322 4.631 0 1 HJAF COc1nc2ccccc2cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587778362 MKGZPEJPLUQVBD-WYRIXSBYSA-N 401.279 4.769 0 1 HJAF CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587795409 IVSKEOPLSXGZIS-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF COc1cccc(C[C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811143 VLELDYACFSCFOF-YEJXKQKISA-N 404.323 4.979 0 1 HJAF CN1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 618011650 DWZSJRUNGSWIKX-UHFFFAOYSA-N 406.549 4.627 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(OCC(=O)O)c2)cc(-c2ccc3ccn(C)c3c2)n1 653672743 LVEUVIDQZAYYJV-OAHLLOKOSA-N 416.481 4.580 0 1 HJAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H]1c2ccsc2CCN1Cc1cccn1C 962371766 HRCLCQSHIFFELZ-IBGZPJMESA-N 403.592 4.832 0 1 HJAF COc1cc(OC)cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962632248 LEWBTXCHUOWJNZ-ATIYNZHBSA-N 400.522 4.540 0 1 HJAF CCOC(=O)[C@H](C)[C@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 962997962 NDKHZFZHDJKKLQ-KSFYIVLOSA-N 412.580 4.706 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc3ccc(F)cc3[nH]2)N1 963171753 BVHXEXNYXHBCCG-SJORKVTESA-N 412.770 4.668 0 1 HJAF COc1cccc([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1N 963832363 OSXGTXDKJCCLBD-SANMLTNESA-N 413.521 4.747 0 1 HJAF CC(=O)Nc1cc(-c2ccc(F)cc2)cc(-n2cnc3cc(-n4cccn4)ccc32)c1 1772575007 BPRNSOKLZZTRCH-UHFFFAOYSA-N 411.440 4.976 0 1 HJAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@H](C(C)(C)O)CC[C@]2(C)C=C[C@@H](C)C1 2356654122 OGZZCBZNOLKSNJ-NFGCPNLESA-N 406.563 4.586 0 1 HJAF COc1cc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc(OC)c1OC 752834 FPHFBOMKEYMBGW-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF CCc1c(Sc2ccccc2)n(C/C=C/c2cc3ccccc3o2)c(=O)[nH]c1=O 6424958 DRJUMSWGDKURDB-CSKARUKUSA-N 404.491 4.710 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1nn(-c3ccc(F)cc3)nc12 6482651 JAUDVHBWCFGZJO-HGBFTFLOSA-N 407.533 4.744 0 1 HJAF CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 13474835 XVFUETUXJMLJLC-XMMPIXPASA-N 420.509 4.891 0 1 HJAF CC(C)(C)c1cc(/C=C2/CCN(c3ccccn3)S2(=O)=O)cc(C(C)(C)C)c1O 13558286 BTOBGKHPYNLTMW-LGMDPLHJSA-N 414.571 4.963 0 1 HJAF COc1cc(C(=O)O)ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12 13650711 ZVYGSPOHTAYHJY-UHFFFAOYSA-N 408.454 4.957 0 1 HJAF O=C(N[C@@H](Cc1ccccc1)c1cc[n+]([O-])cc1)C(c1ccccc1)c1ccccc1 13741258 TURQUOABEVFVRO-VWLOTQADSA-N 408.501 4.552 0 1 HJAF Cc1ccc(C(=O)NC[C@H]2CN=C(c3ccc(F)cc3)c3ccc(C)cc3N2C)cc1 26274681 RWJNKNFUNQGDEQ-JOCHJYFZSA-N 415.512 4.528 0 1 HJAF O=C(/C=C/c1c[nH]c2ccccc12)NCCCN1CCC2(CCc3ccccc32)CC1 28569254 XUFDJEVCGIWXTL-ZHACJKMWSA-N 413.565 4.667 0 1 HJAF COc1ccc([C@]2(Cc3cccnc3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29477383 MFGKXUMOPKIESN-SANMLTNESA-N 414.505 4.893 0 1 HJAF COc1ccc(CC(C)(C)N(C)C[C@H](O)COc2cccc(Cl)c2Cl)cc1 45496992 NUSLYXWCRDSXTE-INIZCTEOSA-N 412.357 4.695 0 1 HJAF COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)Cc3ccccc3)n2)cc1 82067161 UPBFGTRZLWTDIJ-UHFFFAOYSA-N 417.469 4.514 0 1 HJAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCCc2cccc(F)c2)c1 82160088 LMVBCHRTNJMVPQ-UHFFFAOYSA-N 420.532 4.656 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO 95877439 KNXXJNTZRSGYOL-IEZKXTBUSA-N 416.496 4.507 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(CCC(=O)O)(C3)C2 101068394 HHSFEYNQHTXPDX-GQBJFBHNSA-N 419.949 4.673 0 1 HJAF COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12 103245335 FYFIPDAYWLZXRD-SFTDATJTSA-N 424.928 4.521 0 1 HJAF Cc1cccc(-c2[nH]c(CNc3cccc(C)c3C)nc2-c2ccc3ncnn3c2)n1 113383173 POKJJRUSIQONQP-UHFFFAOYSA-N 409.497 4.719 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 147981071 RYMZZMVNJRMUDD-HFFZACBOSA-N 418.574 4.586 0 1 HJAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1F 166913713 OIGAHDNTLDQHKA-UHFFFAOYSA-N 405.429 4.634 0 1 HJAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CCC2CCCCC2)c1 169707051 QPZCYFNZRQJQPW-NRFANRHFSA-N 422.573 4.548 0 1 HJAF O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 206067737 FHMDRYRAXQKQJU-UHFFFAOYSA-N 413.370 4.823 0 1 HJAF c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4sccc34)CC2)cc1 473127269 VMVWKELCAPAISZ-UHFFFAOYSA-N 407.587 4.758 0 1 HJAF CC(=O)N[C@@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)c1ccc(Br)cc1 586986633 YMXCVWZTHAPQFP-IBGZPJMESA-N 423.314 4.602 0 1 HJAF Clc1ccc(C2(c3nc4cc(I)cnc4[nH]3)CCC2)cc1 587073967 OJSSIRHEPZJTKI-UHFFFAOYSA-N 409.658 4.686 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097284 HXXVEXKTAWZYBU-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587108565 BLZIRLNRCZEHAM-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccnc(Cl)c4[nH]3)cc2)cc1F 587147286 KHFONYLTUPTIEO-UHFFFAOYSA-N 408.864 4.758 0 1 HJAF O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1ccccc1)-c1ccccc1C3=O 587205678 CABBWVPQPJSKAX-UHFFFAOYSA-N 421.452 4.889 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2c(Cl)c(Br)cnc2[nH]1 587227930 CXBMPDZCKMEIGY-UHFFFAOYSA-N 409.715 4.736 0 1 HJAF O=C(O)CC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331590 HZBCZJPXVIGFCY-LADGPHEKSA-N 424.399 4.790 0 1 HJAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348083 GGROJMMLQJKLKL-RCZVLFRGSA-N 418.420 4.519 0 1 HJAF COc1ccc(C[C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442593 LZGQBYQYYFWHCJ-GJZUVCINSA-N 416.473 4.598 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587455143 JTSQPQVLOZNKKB-JTJYXVOQSA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(Cl)cn1)CC2=O 587460241 GXLJCBWLMVKCIT-OAQYLSRUSA-N 403.862 4.509 0 1 HJAF O=C1C[C@H](c2ccc(O)cc2I)Oc2c1ccc1c2CCCC1 587505428 MAVRELLFZLGGAJ-GOSISDBHSA-N 420.246 4.582 0 1 HJAF CCOC(=O)[C@@H](CC)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522277 KPRCORPBJWNZGF-GGAORHGYSA-N 408.494 4.992 0 1 HJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncc1Br 587544366 KKFXXIOQHFCLFD-FXAWDEMLSA-N 412.239 4.561 0 1 HJAF Oc1nc(O)c2ccc(-c3ccc(-c4ccccc4Br)s3)nc2n1 587563108 DIASPYQGPBBIDW-UHFFFAOYSA-N 400.257 4.594 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3cnccn3)c2c1 587650499 YHAHPJYEDDQBHG-UHFFFAOYSA-N 417.412 4.714 0 1 HJAF Cn1c(-c2c(-c3ccccc3)[nH]c3ccc(S(C)(=O)=O)cc23)nc2ccccc21 587650586 OESSXYCJZDTUTI-UHFFFAOYSA-N 401.491 4.792 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(O)c2)N1 587720186 SCGKMSVMIJRJFQ-VPTHRUTESA-N 402.210 4.519 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 587729889 DUZIPTJBQZCIEZ-GIGQVBGESA-N 404.258 4.741 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1 587744231 ZLDQADJYXOQYJO-HXPMCKFVSA-N 415.347 4.595 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1 587763855 AHOMVCIPSYDTEU-LRTDBIEQSA-N 418.354 4.568 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc3c(c2)OCCO3)N1 587837146 ZUVGYVNZLIXYBP-ASSNKEHSSA-N 420.322 4.742 0 1 HJAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587945668 MDHUZAMDIIXTDJ-UHFFFAOYSA-N 417.799 4.720 0 1 HJAF Cc1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)s4)cc3=O)ccc2nn1C 653714298 XWFNNLQMTXNZJH-UHFFFAOYSA-N 419.428 4.692 0 1 HJAF C1=C(c2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)CCNC1 1772602620 PWBDDGJWWXNDJC-UHFFFAOYSA-N 403.526 4.736 0 1 HJAF O=C(Nc1ccc(-c2ccnc3[nH]ccc23)s1)[C@]1(Cc2ccccc2)CCCNC1 1772625048 PSERNLHJMLNQPJ-DEOSSOPVSA-N 416.550 4.842 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@@H]12 2356846258 OLSHLOATNKEAHT-MFKQLIKDSA-N 406.563 4.586 0 1 HJAF Cc1cc(S(=O)(=O)Nc2nc3cccc4cccc([nH]2)c43)c(S)cc1Cl 1859540 AGBDQOAYKJADGP-UHFFFAOYSA-N 403.916 4.767 0 1 HJAF O=C(NCCN1CCc2ccccc2C1)c1cc(-c2cccs2)nc2ccccc12 4881643 XVSHQBWCEGDDEU-UHFFFAOYSA-N 413.546 4.751 0 1 HJAF COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cncn12 13582009 XZWDOPOZRGQDBO-UHFFFAOYSA-N 424.936 4.570 0 1 HJAF COc1ccc(SC[C@H](c2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 13829880 BXDIWBRDIVKLTH-HSZRJFAPSA-N 412.599 4.719 0 1 HJAF O=C1CCN([C@@H]2CCCC[C@H]2OCCc2ccc(Br)c3ccccc23)C1 28653845 BMCKKJQBXSEOQK-FGZHOGPDSA-N 416.359 4.747 0 1 HJAF COc1cccc(NC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 36189242 FMEUWASIYBNIKU-WZAVYVBLSA-N 422.569 4.547 0 1 HJAF CCc1cc2cc3c(=O)n4c(nc3cc2s1)-c1[nH]c2ccc(OC)cc2c1CC4 84671529 USNFXNPBXFLSRN-UHFFFAOYSA-N 401.491 4.887 0 1 HJAF Cc1cc(N2CCN(C(=O)Oc3ccc(-n4cccc4)cc3)CC2)c2ccccc2n1 95568334 ATPYKVOLFHUNSC-UHFFFAOYSA-N 412.493 4.655 0 1 HJAF CCC(=O)[C@H]1[C@@H](c2ccc(/C=C(\C)I)cc2)C[C@H]2CC[C@H]1N2 100911972 FMZWUJWDVRSFBN-VKWPDALPSA-N 409.311 4.686 0 1 HJAF Cc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1 223662786 ONDGXGVMQOFXPZ-OAHLLOKOSA-N 420.517 4.718 0 1 HJAF CCN(C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]21)C[C@@](C)(O)c1ccccc1 503969577 JTMYRQKZNPTWKI-NKTCTFGQSA-N 411.586 4.674 0 1 HJAF biogenic CCOC(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914437 JQEGCVHLYGRMQJ-UHFFFAOYSA-N 402.406 4.508 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(C)cc(C)c3[nH]1)C(=O)OC2 586915734 QWNZTRVNJNUTHP-MLPAPPSSSA-N 420.509 4.994 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 586916417 MCAOWUZDJJVGNR-BLVKFPJESA-N 403.251 4.681 0 1 HJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 586951308 WFDXABMCOKOICA-UHFFFAOYSA-N 421.522 4.959 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 587065778 ZAPUOHPDCVJNKW-UHFFFAOYSA-N 400.740 4.515 0 1 HJAF CC(C)Oc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br 587137318 ZKQLEHLUXCLNIB-UHFFFAOYSA-N 400.198 4.779 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(C(Cl)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587332596 SVVPFSLWYVJXCH-FYYLOGMGSA-N 424.811 4.964 0 1 HJAF COc1ccc(-c2nc3c(C)cccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394438 URUQWMUTJALOCP-OAQYLSRUSA-N 413.477 4.915 0 1 HJAF Cc1cc(C(F)(F)F)ncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552733 BXBLREFFGFYNHK-RXVVDRJESA-N 415.367 4.991 0 1 HJAF O=C(c1cc2sccc2cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661219 LTKCOTHIDFDMED-UHFFFAOYSA-N 401.422 4.501 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccnc(Cl)c3)c(=O)c3ccccc23)c(O)c1 587665235 JQNOAEYJFAECPJ-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587741031 LNDYFQNYJSBNKT-ASSNKEHSSA-N 421.354 4.672 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(C=O)ccc4OC)[nH]c3c2)cc1 587785634 AGJVFVLMCDNZJG-UHFFFAOYSA-N 402.406 4.630 0 1 HJAF COCCCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791902 JMXKFUZRZYGQRV-ZUOKHONESA-N 408.311 4.627 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)s2)N1 587847911 MSUMOEHHUIKQPJ-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF COc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862726 WRVMHACSYOPGLD-ZDUSSCGKSA-N 420.387 4.694 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(N(C)C2CCCCC2)s1 963635129 LMMUEUKGIWNZOG-SZNDQCEHSA-N 401.576 4.553 0 1 HJAF Cn1cc(-c2ccc(Cn3cc(C(=O)Nc4ccccc4)c4ncccc43)cc2)cn1 1857758083 BYHMALUFCYDEND-UHFFFAOYSA-N 407.477 4.737 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@@H]1OC(=O)CC(C)C 2356385406 MECYONIBORKUBT-PDKZGUECSA-N 402.531 4.939 0 1 HJAF Cc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1 61926856 LKMLMXZDCGEWAX-UHFFFAOYSA-N 420.456 4.524 0 3 HJAF CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3Cl)N2C1=S 754284 NUDSXAJKYUQEBU-MAUKXSAKSA-N 416.333 4.548 0 1 HJAF Oc1cnccc1CCCOc1cccnc1Oc1cccc(Br)c1 1905898 RMABIHKKIBQPNG-UHFFFAOYSA-N 401.260 4.749 0 1 HJAF Cc1c(C(=O)Nc2ccc(Cl)cn2)sc2ncnc(N3CCCC[C@H]3C)c12 2924141 LYXCTCQXINMYHR-LLVKDONJSA-N 401.923 4.679 0 1 HJAF COc1cccc(Nc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C4CC4)c3n2)c1 4238961 NCWLTOKKQIQNBC-UHFFFAOYSA-N 419.872 4.594 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26391094 RYPMTHMHTXUIIA-JQOWFYNESA-N 400.607 4.545 0 1 HJAF COC(=O)[C@@H]1CCC[C@@H](NCc2cc(/C=C/c3ccc(Cl)c(Cl)c3)[nH]n2)C1 26721976 AFUYHVGHOMOIJA-IPKOWEFYSA-N 408.329 4.708 0 1 HJAF CN(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 26957613 OKVPDEXTEJGPIM-REYXBCNVSA-N 406.570 4.563 0 1 HJAF CC(C)Oc1cc(OCCC2CCCC2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28522882 PWIDVOKRZIMBGB-UHFFFAOYSA-N 412.486 4.778 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)cc3)c(C(=O)O)c2)cc1 28819171 LJDWMTQZNWLVJE-UHFFFAOYSA-N 401.871 4.814 0 1 HJAF CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 28822210 YAVSCZKHRYYTHD-UHFFFAOYSA-N 410.495 4.632 0 1 HJAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCF 35968598 BTSWWTIZGJKQLO-GNYGEYGVSA-N 409.567 4.663 0 1 HJAF COC(=O)c1ccc2c(c1)nc(-c1ccccc1F)n2CCc1ccc(OC)cc1 42989614 KXIUZILBOVIVET-UHFFFAOYSA-N 404.441 4.880 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@H]3CC[C@@]21C 58666178 LGKOHXBHQYUHPI-FJORLLMFSA-N 404.595 4.554 0 1 HJAF O=c1ccc2cc(OCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 71281391 MBPONPFXNKHUNF-PZJWPPBQSA-N 401.572 4.950 0 1 HJAF OC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)CC1 82175802 QPHKKUNOINXJGM-UHFFFAOYSA-N 406.486 4.521 0 1 HJAF Cn1c(-c2ccccc2)cnc1Nc1nc(-c2ccccn2)nnc1-c1ccccc1 95565977 LBSGQSWFZXHQRA-UHFFFAOYSA-N 405.465 4.745 0 1 HJAF CCN(CC)C(=O)[C@@H]1Sc2ccccc2-c2c1c1ccc(OC)nc1n2CCF 96909214 VWTHBIPGVBNKLU-HXUWFJFHSA-N 413.518 4.697 0 1 HJAF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3cccn3Cc3ccccc3)cc2)C[C@H]2CC[C@H]1N2 100875715 IIVLONMULFPENV-GWZVJQKXSA-N 414.549 4.991 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1 586922244 RZILTHKIYPNMSB-UHFFFAOYSA-N 402.397 4.621 0 1 HJAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586936223 HYLUMSIGGOCEGP-KRWDZBQOSA-N 420.966 4.584 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587042118 IMILJVPDVVHFML-KRWDZBQOSA-N 405.882 4.642 0 1 HJAF Cc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587120030 ODDDHJFHZIASJY-UHFFFAOYSA-N 413.241 4.776 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)c(F)ccc2[nH]1 587147256 IPCDXUTVEYLYQA-UHFFFAOYSA-N 407.193 4.810 0 1 HJAF CCCOc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587167119 MTOWPGSZIXTKGD-FPLPWBNLSA-N 418.266 4.905 0 1 HJAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1F 587238289 BMNWYQUIPHSPDB-YOKWENHESA-N 403.498 4.565 0 1 HJAF COc1cccc(OCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1 587398571 FJFHVTWPSXTGJK-XMMPIXPASA-N 419.477 4.880 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421584 UQTKOCPRYUKCCX-YZZKKUAISA-N 414.885 4.581 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(I)cc1)CC2=O 587472795 VFMHQJAFEHWAGE-KRWDZBQOSA-N 408.235 4.656 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccnc3C(=O)O)cc1)CC2=O 587486815 LRMQFJPVQAZPKZ-NRFANRHFSA-N 403.434 4.811 0 1 HJAF O=C1C[C@H](C2CCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514133 MDGIFCRTLRERLI-XMMPIXPASA-N 419.521 4.948 0 1 HJAF CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516384 RYEFKXMVAXXMHC-JOCHJYFZSA-N 416.477 4.634 0 1 HJAF COC(=O)c1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587521537 BNBHOMLUTFLAEG-VWLOTQADSA-N 401.462 4.589 0 1 HJAF CN(C)C(=O)Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612025 ILXSLZOTPAAERO-KNQAVFIVSA-N 421.474 4.869 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587700175 LWTTZQJNEYPQSH-NSPYISDASA-N 420.713 4.791 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(Cl)cc2)N1 587703000 QHIWBKQUPKLGEK-VPRXMMIXSA-N 424.697 4.660 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(F)c2)N1 587727075 ABLWFXDLWHNDRH-JEOXALJRSA-N 409.274 4.506 0 1 HJAF Cc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587740729 KHMKPPIADFOYFY-TYKYPNPVSA-N 403.339 4.750 0 1 HJAF COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C 587759470 UDSBVTNJIQNSHN-PRWKNARSSA-N 403.295 4.712 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(Cc3ccccc3)C2)N1 587760533 KVSOHDPLULUUFO-VTJXTGGHSA-N 403.339 4.612 0 1 HJAF CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C 587772094 VBGKBSRIZOCWCL-CFMSYZGJSA-N 405.311 4.600 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nccs2)N1 587853057 KNWVTAIZUATXND-CWTRNNRKSA-N 403.320 4.871 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(O)c2ccccc2n1 587859653 GNJOZHKWIASCAF-UHFFFAOYSA-N 401.253 4.894 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@]1(CCC(=O)O)c1cccc(Cl)c1 962372895 KIOYMPMRHGARNO-QFIPXVFZSA-N 414.958 4.907 0 1 HJAF COc1ccccc1-c1ncc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962772073 VFGAEUZGURCOJO-YJBOKZPZSA-N 418.440 4.554 0 1 HJAF Oc1ccc2c(c1)[C@@](c1cc(F)cc(Cl)c1)(c1ccccc1CN1CCC1)NCC2 963339707 AVAWTPXVYBDIED-RUZDIDTESA-N 422.931 4.828 0 1 HJAF CC(C)(C)c1csc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)n1 1857534357 RRISDHJMKUKMIC-UHFFFAOYSA-N 409.475 4.543 0 1 HJAF COc1cccc([C@@H](CCN2CCCC2)NC(=O)c2ccc(-c3ccncc3)cc2)c1 1857615471 MHFWDTZIDHQBTC-RUZDIDTESA-N 415.537 4.714 0 1 HJAF CCc1cc2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cnc2[nH]1 1857754490 BSJSPQRAFBNSLR-UHFFFAOYSA-N 412.902 4.642 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@@H](N)C=C4)C3)CC[C@H]1[C@@H](N)C2 2356838178 LQYBFJPMMGKAMZ-KVTVGKKVSA-N 413.650 4.746 0 1 HJAF CC1(C)COC(c2cccc(I)c2Sc2ccccc2)=N1 2356874626 YXNFWYUMRBFXJO-UHFFFAOYSA-N 409.292 4.998 0 1 HJAF CC[C@H](C(=O)NCc1ccccc1)n1c(-c2ccc3c(c2)CCO3)nc2ccccc21 95599524 OKQFUKXVJZTSAX-JOCHJYFZSA-N 411.505 4.906 0 3 HJAF COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2 1622956 LINCQZTYIFFOHQ-HHHXNRCGSA-N 400.518 4.537 0 1 HJAF CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 13862903 SMOWUDDAIFECTN-UHFFFAOYSA-N 419.360 4.725 0 1 HJAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)c(Cl)c3)n2C)cc1 29125303 VPTZWHGPDDDVGL-NMWGTECJSA-N 422.337 4.816 0 1 HJAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccsc2-c2nnn[nH]2)cc1 29565930 XPAQGRYPYVGJTN-UHFFFAOYSA-N 415.526 4.567 0 1 HJAF CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1 34024255 WYKUNXLKNJTHND-UGKGYDQZSA-N 411.521 4.541 0 1 HJAF COc1ccc(Oc2cccc(CN3CCN(C(=O)Nc4ccccc4)CC3)c2)cc1 35796437 ZCBMBTNOASDXMI-UHFFFAOYSA-N 417.509 4.837 0 1 HJAF CCOC(=O)CN(C(=O)c1ccccc1)c1nc(-c2c(C)cc(C)cc2C)cs1 40379829 AIMSGMURPOXKFD-UHFFFAOYSA-N 408.523 4.945 0 1 HJAF C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 40421958 YQWXKWYDLZHJRV-NVXWUHKLSA-N 407.341 4.542 0 1 HJAF Cn1nc(-c2ccc(C[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1C(=O)O 84586920 ZKEVJYKTCULYJA-JOCHJYFZSA-N 410.473 4.995 0 1 HJAF O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100106201 VTMIAWADHDGBGP-NUNAXRQHSA-N 405.448 4.604 0 1 HJAF COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccnc2)c1 101257749 SDPCJNOMLFSGHN-QFIPXVFZSA-N 419.481 4.546 0 1 HJAF COc1ccc(OC)c(/C=C2\CCC[C@H]3C2=NN[C@H]3c2cc(OC)ccc2OC)c1 103191823 LBYLUJZFUBILFH-NVIUNWEQSA-N 408.498 4.605 0 1 HJAF FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1 113133677 UDNLNKGTGCEELU-UHFFFAOYSA-N 408.449 4.850 0 1 HJAF CN(C)c1ccc(S(=O)(=O)N(CCC2CC2)c2cc3ccccc3s2)cc1 115234059 ZFQRWLOJIVCRIP-UHFFFAOYSA-N 400.569 4.963 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@H]2CCC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1 139499485 ULRZEXNCMHFJNG-ROUUACIJSA-N 413.477 5.000 0 1 HJAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)cc1 142953568 XDGFUECFABCQNQ-SFHVURJKSA-N 416.525 4.562 0 1 HJAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1 169706515 LYAZTMOXEBYWIS-OLZOCXBDSA-N 414.481 4.721 0 1 HJAF CO[C@@H](/C=C/CCCCCC=C(Br)Br)[C@H]1CCC(=O)O1 198355151 BIIOETBIMPWOIM-FRNKVXGRSA-N 410.146 4.845 0 1 HJAF CCc1ccnc(COc2ccc(C(C)=O)cc2-c2ccc3c(c2)CCNCC3)c1 205449203 LYMYUDCINDYGMQ-UHFFFAOYSA-N 400.522 4.781 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4csc5ccccc45)ncc23)ccn1 261125173 KCJAPMCIMURQKA-UHFFFAOYSA-N 414.494 4.865 0 1 HJAF O=C(CSCc1nc2cncc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113283 GJOPTYLSIJQNDR-UHFFFAOYSA-N 400.813 4.502 0 1 HJAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Br)cnc(Cl)c3[nH]2)n1 587117670 HWURZJQOASPTTM-UHFFFAOYSA-N 420.620 4.515 0 1 HJAF CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C[C@H]1CCCO1 587196693 AVXAKQGQLXHRTE-LLVKDONJSA-N 417.403 4.637 0 1 HJAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349256 UBPSEUXAHAHJPP-RJZKYMFLSA-N 417.436 4.648 0 1 HJAF C[C@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373195 LSTOHNPNTQVELK-XXBNENTESA-N 409.482 4.938 0 1 HJAF COC(=O)/C=C/COc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401315 VZSHWTSGJMBKOD-QNBZTBGESA-N 417.461 4.545 0 1 HJAF CC(C)[C@@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581642 WWAZSTXIHAOCIR-RCZVLFRGSA-N 417.461 4.777 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CCOCC1 587612925 WOLJIDAYPZUCAN-DHLKQENFSA-N 402.446 4.989 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncc2Br)N1 587688221 XGLRBFWYTCRRDF-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587768105 ZYEVBXPEMXMTGV-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587793742 KUWURNHPIRSLIO-ODXCJYRJSA-N 400.295 4.910 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(-c3ccccc3)no2)N1 587797739 SEVDMDRNKNPOMW-ODXCJYRJSA-N 416.294 4.630 0 1 HJAF Cc1cc(C)c2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)coc2c1 587837367 GESHJCAXCWHETI-FKIZINRSSA-N 416.290 4.935 0 1 HJAF CCOP(=O)(C[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC 587850612 QTZCFLFINFAPEK-PXAZEXFGSA-N 422.275 4.994 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(C(=O)O)=CN(C(C)C)c1ccccc12 962955417 MGXVKCGMZOYBGI-IVCQMTBJSA-N 401.510 4.533 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@]3(CC[C@@H](c4ccccc4)c4ccc(O)cc43)c3cccc1c32 963022416 JASJOVBUTCDSCB-JFLXGGRUSA-N 410.517 4.615 0 1 HJAF COc1ccccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1 1857538746 WSJFFCYHXVMMTO-UHFFFAOYSA-N 404.422 4.651 0 1 HJAF Cc1c(C(=O)NN2C(=O)CS[C@@]23C[C@H](C)CC(C)(C)C3)[nH]c2ccc(Cl)cc12 1911572683 FKOKUWYOLBKVCA-XUSGNXJCSA-N 419.978 4.892 0 1 HJAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 2356380973 XFTFIFNAWKMLKL-AQTRJIGRSA-N 422.949 4.753 0 1 HJAF Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1 13742303 ONYBTOHSSKYVDS-UHFFFAOYSA-N 418.472 4.960 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@@]12C 14828598 XQVSOEJVJVKKCF-BBDGOGNKSA-N 420.590 4.669 0 1 HJAF biogenic Cc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)cc1 25574196 GXZUITKTGKZJEK-UHFFFAOYSA-N 401.432 4.991 0 1 HJAF COc1cc2ncnc(Nc3cccc(NC(=O)c4ccccc4)c3F)c2cc1OC 28360068 OQUOTBSSEUPKNG-UHFFFAOYSA-N 418.428 4.782 0 1 HJAF O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1 29052805 PRJGXZKLMDRCRI-UHFFFAOYSA-N 421.518 4.534 0 1 HJAF CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1c(C)cccc1Cl 72109028 CHLAMVUSGFFORY-UHFFFAOYSA-N 417.887 4.977 0 1 HJAF O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1ccc(F)cc1 72138451 ICAORRLELUJDAQ-LJQANCHMSA-N 417.889 4.804 0 1 HJAF CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1 87723327 LSDICXYPPJEUGV-QUNOWOBBSA-N 400.515 4.991 0 1 HJAF O=C1CSC2(CCC(c3ccccc3)CC2)N1NC(=O)C12CC3CC(CC(C3)C1)C2 95559036 HYDUKQGLQYQIBI-UHFFFAOYSA-N 424.610 4.864 0 1 HJAF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104004105 KSDROZSPRYTMDN-JOCHJYFZSA-N 417.465 4.566 0 1 HJAF N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2ccccc2F)c1 115923132 MHNPQJLIMXRRAR-UHFFFAOYSA-N 406.413 4.884 0 1 HJAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1OC 138626672 URHAIHPRBSISPW-RUZDIDTESA-N 412.489 4.973 0 1 HJAF CC(=O)Nc1cccc(-c2cc([C@H](C)Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1 169220604 BSZIYURUQVDTQH-OAHLLOKOSA-N 419.500 4.759 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713443 GLSZMIVCBQXSEA-DKJCVDEQSA-N 402.623 4.725 0 1 HJAF O[C@H]1CC[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 586897660 BXMOYFVKFQMPJV-GASCZTMLSA-N 401.304 4.923 0 1 HJAF FC(F)(F)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1 586998628 MQCXSMJMEYYOND-UPHRSURJSA-N 412.165 4.638 0 1 HJAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587026356 CLKQWUIOGRSTKB-UHFFFAOYSA-N 409.696 4.990 0 1 HJAF CC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027973 VHQJXFASBNBBIQ-UIFIKXQLSA-N 407.539 4.902 0 1 HJAF CN1CCN(c2ccc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3c2)CC1 587077115 RCVPFSIFVLWMSB-UHFFFAOYSA-N 403.917 4.697 0 1 HJAF Cc1nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1Br 587084877 IDDTVNUBWIAOSG-UHFFFAOYSA-N 400.667 4.806 0 1 HJAF Cc1c(Br)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587127058 QXGPFEGHUDHBJE-JVXZTZIISA-N 414.229 4.805 0 1 HJAF CCc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 587156980 FSRBRGHACXZXMH-UHFFFAOYSA-N 415.266 4.862 0 1 HJAF C[C@@]1(c2cnc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331368 PKHGTMRANFFTCR-UZLBHIALSA-N 419.239 4.902 0 1 HJAF COCOc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345942 AGMWZSVYRJQDGL-LADGPHEKSA-N 408.425 4.788 0 1 HJAF CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351988 VTGFPZIEHOEFAH-QMHWCDLVSA-N 400.446 4.628 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc4c(cc32)OCCO4)[C@H]1c1ccc(F)cc1 587355663 FNCMMFQEKHIDBJ-ZCYQVOJMSA-N 418.420 4.503 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)c(Br)c1)O2 587381849 IDTAZQOFNIBJCS-OAHLLOKOSA-N 416.193 4.945 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587416783 FKHBWDFVBVNWIF-BTYIYWSLSA-N 415.283 4.662 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1cc(Br)ccc1O)(C(C)(C)C)[C@@H](C2)C3=O 587419069 RZOLAFNDRCPMHF-YCRPNKLZSA-N 417.299 4.852 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CC(C)=C(C)C[C@H]1C(=O)O)[C@@H](C2)C3=O 587453387 YTOZXOQZVMQIGA-VSCPTIONSA-N 418.489 4.785 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O)cc1Br)CC2=O 587456461 PCFKHAPKPIZGCT-GOSISDBHSA-N 421.287 4.918 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 587489802 WHAKOIVXPWUFIK-HZPDHXFCSA-N 415.530 4.716 0 1 HJAF O=C1C[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587512813 FTAKGACAMZTQBK-RUZDIDTESA-N 405.494 4.954 0 1 HJAF Cn1ccnc1[C@@]1(c2nccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587514457 YPZDNXVGQUNZAW-SANMLTNESA-N 409.489 4.756 0 1 HJAF CCn1ccc(C(=O)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587516746 VWFQBKXJZDTQLA-HSZRJFAPSA-N 416.477 4.708 0 1 HJAF O=C(O)COc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525170 SRUXMIVCDWVTAV-QFIPXVFZSA-N 402.446 4.889 0 1 HJAF C[C@@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549733 RJJKJIVGSZITKF-RXVVDRJESA-N 416.351 4.994 0 1 HJAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587632106 OYPYZVVVSYSQIU-LLVKDONJSA-N 410.873 4.862 0 1 HJAF O=C(OCC1c2ccccc2-c2ccccc21)n1ncc2ccc(Cl)cc2c1=O 587653214 RWISUOHKPFNWHP-UHFFFAOYSA-N 402.837 4.847 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)nc2)N1 587680225 HWKWDTBKXYPDCP-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF Cc1cc(C)nc(SC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587847582 UPUCRPYWVFAFKS-SGTLLEGYSA-N 410.356 4.537 0 1 HJAF COc1ccc(C[C@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC 587925268 DIKHSYARKPAOCA-VIFPVBQESA-N 411.246 4.967 0 1 HJAF Cn1c(-c2ccccc2)cnc1[C@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961750063 NTQFPPSFFXHDTL-OAQYLSRUSA-N 408.343 4.791 0 1 HJAF COc1cc2c(cc1OC)[C@]1(C=C(NNc3ccccc3)C[C@H](C)C1)N(C)[C@H](C)C2 962557489 AAJKEBNUUVUQNH-ATLLOTDBSA-N 407.558 4.706 0 1 HJAF CC(C)c1nn(C)c2c1[C@@H](c1cc3cc(Br)ccc3nc1Cl)NCC2 962916047 WYNPMRSFEIMBPJ-GOSISDBHSA-N 419.754 4.743 0 1 HJAF Brc1ccccc1OCc1ccc([C@H]2NCCc3nc4ccccn4c32)o1 962985506 PIGVHZZSCKPYNU-HXUWFJFHSA-N 424.298 4.504 0 1 HJAF O=c1c([C@H]2c3ccsc3CCN2Cc2cccnc2)cc2cccc3c2n1CCC3 962993492 BWTAJEBZARMIGN-XMMPIXPASA-N 413.546 4.552 0 1 HJAF CC[C@H](Cc1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963507492 HYGNUVOMQOXOPH-QURRFSBHSA-N 415.533 4.812 0 1 HJAF CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21 963614685 YMIJECVYGUENSB-ZSEKCTLFSA-N 420.347 4.879 0 1 HJAF O=C(NCc1ccccc1)c1ccccc1-n1cc2cc(Br)ccc2n1 1772597505 PMPVSQRHXZYAQN-UHFFFAOYSA-N 406.283 4.718 0 1 HJAF CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc2cc(OC)ccc2[nH]c1=O 1857771968 VVPUXOCQSADNMV-OAQYLSRUSA-N 416.414 4.914 0 1 HJAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 773371 AKLUFDUHEWFIKR-WOJBJXKFSA-N 424.472 4.580 0 1 HJAF O=C1Nc2cccnc2N(C(=S)C[C@H]2CCCN3CCCC[C@@H]23)c2ccccc21 26821050 AGKOAFGRVCVBFH-APWZRJJASA-N 406.555 4.767 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(F)cc3)CC[C@@H]12 26941848 QRXQUYSQEGNIRQ-FKHIRMOZSA-N 410.533 4.678 0 1 HJAF COc1ccc([C@H](CNC(=O)Nc2cccc3cnccc23)Cc2cccnc2)cc1 28958814 TYNWYOMSZOLTRN-NRFANRHFSA-N 412.493 4.786 0 1 HJAF COc1ccc([C@@H]2CC3(N4CCCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 38346901 RLOJIHUMKRBJCL-FCSYJFFPSA-N 421.581 4.971 0 1 HJAF CC1(C)C[C@@]2(CN(Cc3ccccc3)CCO2)c2cc(Br)ccc2O1 40848422 UDQTWLZXSSQPTB-OAQYLSRUSA-N 402.332 4.738 0 1 HJAF C[n+]1cn(-c2ccc(-c3ccc(-n4c[n+](C)c5ccccc54)cc3)cc2)c2ccccc21 73168783 XNSGNOAJRHMFLN-UHFFFAOYSA-N 416.528 4.890 0 1 HJAF Cc1cccc(-c2nc(NCc3cccc(F)c3)sc2-c2ccc3ncnn3c2)n1 84730857 XETRNBBNUVDOJG-UHFFFAOYSA-N 416.485 4.974 0 1 HJAF C[C@@](O)(c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1)c1ccccc1F 96168105 DVKCVJZCFKQWBB-XMMPIXPASA-N 402.473 4.641 0 1 HJAF O=C(Nc1cccc(OCc2ccccc2F)c1)C1CCN(c2ccncc2)CC1 96285741 DXAPSOAHVMXRKS-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF CCOC1(OCC)[C@H]2c3c(Br)cccc3[C@@H]([n+]3ccccc32)C1(C)C 100714901 VSBDNMJNZDGYRX-RTBURBONSA-N 403.340 4.580 0 1 HJAF O[C@H]1CC[C@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1 101686437 AQKULDWMVLPKPM-PSWAGMNNSA-N 423.520 4.972 0 1 HJAF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccc(Br)cc1 103187935 UWLPFYFVDIOLHY-OAQYLSRUSA-N 408.299 4.749 0 1 HJAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1cc(OC)c(OC)c(OC)c1 103232712 FUDPGINZLFJYBK-QFIPXVFZSA-N 420.461 4.837 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@H](F)[C@]4(O)CC(=O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141095928 VIFFEHIQPNWLHS-ZQRKVFFESA-N 401.497 4.889 0 1 HJAF C/C(=C\c1cccc2ccccc12)Cn1cc(CCCCCc2cnc(N)[nH]2)nn1 198875002 GBQXLKLBOZTVGP-NBVRZTHBSA-N 400.530 4.796 0 1 HJAF C[C@@H]1c2c(nnn2-c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 226000138 UAHUEXGEMLYEQJ-GFCCVEGCSA-N 420.822 4.699 0 1 HJAF Cc1cc(F)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 586954332 GXTDSFIBIVULKJ-UHFFFAOYSA-N 423.513 4.732 0 1 HJAF COc1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2n1 586983577 DWBYXMCMQXFMAL-UHFFFAOYSA-N 423.270 4.648 0 1 HJAF CC(C)(C)OC(=O)NC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586988802 RDHMJFHZSPKMMI-ZDUSSCGKSA-N 416.477 4.706 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587044323 ZVVVKAOPUQVWEZ-SFHVURJKSA-N 401.919 4.811 0 1 HJAF COc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)cc(Cl)c1OCC(C)C 587046956 PZVRAUOOXLHING-ALCCZGGFSA-N 400.906 4.965 0 1 HJAF O=C(O)c1c[nH]c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2c1=O 587106733 MGFTZNAMLIEYFR-UHFFFAOYSA-N 418.408 4.653 0 1 HJAF Cc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br 587112983 XDQMAVVXZLYLIK-UHFFFAOYSA-N 412.209 4.583 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)c(N)c(F)c5)[nH]c4c3)o2)cc1 587135050 RDPLEUCZRUBRSH-UHFFFAOYSA-N 419.391 4.816 0 1 HJAF C[C@H](O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326133 ABRBNHBPRWDSIR-VKCVVMHYSA-N 412.844 4.820 0 1 HJAF CCOC(=O)c1cnc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1Cl 587379235 GPEMQYIYUMLWMK-QHCPKHFHSA-N 424.884 4.836 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3nc(C(F)F)cc3C(F)F)o1)O2 587382217 KJZUHDVFXWFXQI-KRWDZBQOSA-N 423.366 4.997 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccccc1CNC(=O)OC(C)(C)C)O2 587388134 WTVSXKQZMJKYKJ-SFHVURJKSA-N 410.514 4.569 0 1 HJAF COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)ccc1F 587422350 DAKJCJXVMMKPTH-DVECYGJZSA-N 418.420 4.777 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1Cl 587541016 CWQQAPOXGACQBX-KNQAVFIVSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OCC2CC2)c1 587592157 IGAQLUVTKQPFEJ-ZJSXRUAMSA-N 404.418 4.590 0 1 HJAF COc1ccccc1C[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599706 HKPHKPLRKFQJAG-WIOPSUGQSA-N 404.462 5.000 0 1 HJAF CCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 587622608 DJNXBZMIRUQIGS-VIFPVBQESA-N 407.312 4.955 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cccnc3Cl)c(=O)c3ccccc23)c(O)c1 587665708 OHJJUTMPWUGNJX-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(C(F)(F)F)N1 587705376 MEFMBRHETPFXBQ-FVMDXXJSSA-N 403.217 4.511 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587805161 SGOOJHOLZNMSPA-SBKAZYGRSA-N 417.278 4.565 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(COCc3ccccc3)C2)N1 587806511 JRVBTMZNCQJKKU-DOOHWEDMSA-N 404.323 4.945 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1 587837147 ZUVGYVNZLIXYBP-LRTDBIEQSA-N 420.322 4.742 0 1 HJAF Cc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(Br)c1 587871871 FPDLBNFPKYUPJP-UHFFFAOYSA-N 403.207 4.585 0 1 HJAF CC(C)(C)c1ccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)cc1 653730284 SOEVDLFRBWQGPB-QHCPKHFHSA-N 401.554 4.728 0 1 HJAF COc1ccc(-c2cc(=O)c3c(OC)c4c(c(OC)c3o2)OC(C)(C)C=C4)cc1OC 685935466 HPVAIHLRTFXJMD-UHFFFAOYSA-N 424.449 4.679 0 1 HJAF biogenic,in-vitro Cn1cccc1CN1CCc2sccc2[C@]12CCCOc1c(F)cc(F)cc12 962401062 VCAPPSKUCVPBDN-QFIPXVFZSA-N 400.494 4.839 0 1 HJAF Cc1cccc(C)c1[C@]1(c2ccc(Cl)nc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017582 CYOONZGIRPEATA-CRICUBBOSA-N 417.940 4.697 0 1 HJAF COc1ccc(F)cc1-c1ccc(OC)c([C@H](CC(=O)O)c2ncc(C)s2)c1 1772645639 YGFPKCLNJKIVAK-KRWDZBQOSA-N 401.459 4.881 0 1 HJAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@H](c2cccs2)N2C(=N1)Nc1ccccc12 1857567709 UCCOOBMVTLDQJJ-ZBEGNZNMSA-N 407.417 4.859 0 1 HJAF O=C(O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1Cl 1857744965 AWSBVIWHCMLTAU-CQSZACIVSA-N 417.086 4.702 0 1 HJAF O[C@H](CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)c(F)c1 1857748406 QFBLZOIEDHBOQM-RUZDIDTESA-N 422.519 4.796 0 1 HJAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@@H](O)[C@]1(C)CCC(=O)O1 2356409098 YRNRZLZDGLUALE-QPPBQGQZSA-N 416.514 4.543 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 772122 ORAPIMIRGJILJP-PZJWPPBQSA-N 412.848 4.523 0 1 HJAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn([C@@H](C)CO)c1=O 1581931 VCXLMEHFCKQBTQ-LBPRGKRZSA-N 417.292 4.640 0 1 HJAF COc1ccccc1CNc1ncnc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc12 4264628 FPSSHDGVWLFGKY-UHFFFAOYSA-N 412.493 4.619 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCC(C)(C)CO 4273972 JPWZPDJCFHCLEN-RBUKOAKNSA-N 412.933 4.628 0 1 HJAF CCN1c2ncc(COc3ccc(F)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385135 SDHDKVPVUDEWQJ-UHFFFAOYSA-N 412.852 4.596 0 1 HJAF Clc1nc(NCc2ccccc2)c2nc(Cl)nc(NCc3ccccc3)c2n1 13583283 YXUVICSSVPNGJZ-UHFFFAOYSA-N 411.296 4.951 0 1 HJAF COc1cc2oc(=O)cc(-c3ccc(-c4cccc(N)c4)cc3)c2c(OC)c1OC 13814281 UKOOLEBSIPSICF-UHFFFAOYSA-N 403.434 4.735 0 1 HJAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1[nH]c(=O)c2ccccc2c1O 13817106 RTSHMNHVBUEJRR-UHFFFAOYSA-N 416.277 4.524 0 1 HJAF C=C1CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]1CCc1ccc2c(c1)C(=O)[C@@H]1O[C@@H]1C2=O 14930308 BITOGWCSDFTKCY-GRADPPADSA-N 422.521 4.636 0 1 HJAF biogenic O=C(c1cccc(O)c1OCc1csc(-c2ccc(Cl)cc2)n1)N1CCCC1 28521142 OEOCKPYECPGJLS-UHFFFAOYSA-N 414.914 4.984 0 1 HJAF Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@H]3CO)nc2-c2ccc(C)cc2)cc1 28900413 HQKXFIJHBIYHNR-FCHUYYIVSA-N 415.537 4.708 0 1 HJAF CCc1cccc(C(C)C)c1Nc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 29250483 FFDDUSOHXXTYTB-UHFFFAOYSA-N 419.525 4.913 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 29461924 KFZWDYQMBIYWFQ-MNLGXKRNSA-N 402.623 4.769 0 1 HJAF COc1ccc(Nc2nccc(-c3ccc4ccnc(NCCCCN)c4c3)n2)cc1 45201372 LVNFJRYHIFOOTE-UHFFFAOYSA-N 414.513 4.595 0 1 HJAF CCO[P@]1(=O)OC(C2CC2)=C(I)c2ccc(Cl)cc21 49054271 AHAGJAMAPBQNAQ-IBGZPJMESA-N 410.575 4.739 0 1 HJAF CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159708 CLYMXIFNUWVRIC-UHFFFAOYSA-N 400.526 4.893 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95878106 RHJILHMKDZKQLE-OYDLWJJNSA-N 420.459 4.622 0 1 HJAF O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100093459 CMAOIXJJGIJOER-FGAGNQIYSA-N 413.496 4.968 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C/C=C(\C(C)C)[C@H]1OC(C)=O 138788758 SVAFVUMQBHODCP-BFRYRCLUSA-N 404.547 4.816 0 1 HJAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(Cl)ccc43)cc21 143427916 AGSIAFUQDKFVFH-QGZVFWFLSA-N 413.905 4.673 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1 167594162 IPMCRSFCBZAIFI-RHSMWYFYSA-N 423.431 4.755 0 1 HJAF CCC1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1 206102713 YGXKCHDRBDRTQD-UHFFFAOYSA-N 401.470 4.849 0 1 HJAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@H]2C(=O)[C@H]3[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O 238737299 HLAZCJDVEHCLSE-UHSWLTJBSA-N 400.559 4.873 0 1 HJAF CN(C)[C@@]12CCN(CCN3CCCC3)[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 253673171 DSBAUSQCZVZXKB-JMJJTJLESA-N 417.641 4.818 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(C)c2[nH]1 586934503 AHULIKPRTXZGHD-QGZVFWFLSA-N 417.600 4.569 0 1 HJAF COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1OC 586986626 YJEPLCYDBGHCSJ-IBGZPJMESA-N 416.319 4.528 0 1 HJAF Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073582 JVXIPGQHPYYWBJ-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1coc2ccccc12 587281041 QQTXQSHOTIEQQU-UHFFFAOYSA-N 417.486 4.805 0 1 HJAF C[C@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326452 BYHJADUNOAXXNM-QRWLVFNGSA-N 419.239 4.902 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2cncnc2)[C@H]1c1ccc(F)cc1 587345651 JGDZYFJDDDPVSQ-SSPYTLHUSA-N 404.441 4.777 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC[C@H]1Cc1cc(Br)ccc1C2 587373836 VEYLNPNVQWNDCC-WCJKSRRJSA-N 412.327 4.869 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cnc1NC(=O)C(C)(C)C)CC2=O 587472055 PIRJYTBSINEMIZ-SFHVURJKSA-N 400.450 4.570 0 1 HJAF O=C1C[C@@]2(CCN(c3cccc(Br)c3)C2)Oc2c1ccc1c2CCCC1 587502409 KWRVQHSODVCHQB-JOCHJYFZSA-N 412.327 4.942 0 1 HJAF CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587536864 XOPQPYLMEPIWAE-ZEQKJWHPSA-N 420.505 4.537 0 1 HJAF Cc1cc(C)c2c(N)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2n1 587573016 ARKCNBAIAYKCOG-HOYKHHGWSA-N 416.433 4.609 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2Br)N1 587682522 ZOADLRLLNNHPAN-ZKANADHPSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587719049 KDQALDRYQPHICS-NIVTXAMTSA-N 422.248 4.880 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725283 OOMDMDVIBVDEJS-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF COc1cccc2c1OCC([C@@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 587836162 RZNBSJKJQBDPOF-LAJNKCICSA-N 418.306 4.822 0 1 HJAF CCOC(=O)Cc1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587936236 JWQWKTOOQWWMKW-XMMPIXPASA-N 400.478 4.857 0 1 HJAF COc1ccc(-c2ccc3oc(=O)n(C(=O)NCCCCc4ccccc4)c3c2)cc1 653779741 WXOYFFMUMQVXGO-UHFFFAOYSA-N 416.477 4.851 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(COc1ccccc1Br)N(C)[C@H](C)C2 962619690 FKXSLTRWVSPFCD-SZNDQCEHSA-N 420.347 4.637 0 1 HJAF Cc1ccc(C)c([C@]2(CCCCCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963023532 JWIPDIJUKGNBIM-NIYFSFCBSA-N 420.553 4.635 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@]2(C)[C@H](OC(=O)C(C)=CC)C[C@](O)(C(C)C)[C@@H]12 2356653892 LBJPCDBPHHIOKJ-KJOZEKRCSA-N 418.574 4.896 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@H]2[C@@H](C)OC(C)=O)C1 2356682605 YFQHKGUJGTVODY-ZICOXTJWSA-N 418.574 4.708 0 1 HJAF CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cnc4ccccc4c3)c(C)c12 2925911 YXEABDPTAAJCQE-UHFFFAOYSA-N 405.527 4.955 0 1 HJAF CN(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 13742736 OKVPDEXTEJGPIM-BJWOPKJYSA-N 406.570 4.563 0 1 HJAF CC[C@@H]1Cc2cc(OC(C)=O)c(OC(C)=O)cc2-c2cc3cc(OC(C)=O)ccc3n21 29340955 OGXAECKYYUQXKX-GOSISDBHSA-N 421.449 4.591 0 1 HJAF CO[C@H](C)C(=O)N(c1ccccc1Cl)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 34114417 GXUBZESBVOAOLU-KNKQGSTJSA-N 414.977 4.661 0 1 HJAF CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CS2)cc1 45338075 OQWGWLPYPVDWKN-LADGPHEKSA-N 417.534 4.654 0 1 HJAF O=C(O)c1ccccc1[C@H]1CC(c2cc3ccccc3o2)=NN1C(=O)c1ccncc1 64552927 QXMCYJALHOYSIR-HXUWFJFHSA-N 411.417 4.518 0 1 HJAF CN(C)C(C)(C)COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82075117 QTEPHFRRUDIAOG-UHFFFAOYSA-N 424.341 4.876 0 1 HJAF CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(C)C)n2)cc1 82195817 CUKQXYWOJVCORX-KRWDZBQOSA-N 407.605 4.515 0 1 HJAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccc(F)cc4)cc23)c1 84653516 SCNCSAGXTCHOKM-UHFFFAOYSA-N 403.457 4.579 0 1 HJAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1 84705435 KSUJCVFPHBXDGE-UHFFFAOYSA-N 420.563 4.687 0 1 HJAF Cc1nn(C)c2nc3ccccc3c(NCCCNC34CC5CC(CC(C5)C3)C4)c12 169328128 VBPGVSXBSQKOTP-UHFFFAOYSA-N 403.574 4.790 0 1 HJAF COc1ccc(-c2ccc3c(=O)n(C)c4cc(-c5cccc(OC)c5)nn4c3c2)cc1 169350938 JTQAQWZTDVDUAB-UHFFFAOYSA-N 411.461 4.537 0 1 HJAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccccc1 210652553 HIFRNNPTJMGJRD-UHFFFAOYSA-N 419.569 4.600 0 1 HJAF Oc1nc(S)nc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586998731 OTUZWZKDVBCIBF-VURMDHGXSA-N 415.272 4.540 0 1 HJAF Brc1cnc2c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cnn2c1 587008282 KZCDHCJWLXWRLI-UHFFFAOYSA-N 420.270 4.614 0 1 HJAF Nc1ncc(-c2nc3cc(F)cc(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587060631 KQBFZTXPYNIGJQ-UHFFFAOYSA-N 418.657 4.824 0 1 HJAF FC(F)(F)c1cc(-c2nc3cc(Br)ncc3[nH]2)c(Br)cn1 587115287 RLDBOOCNYDOYPO-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF FC(F)(F)OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587124595 NASZIAVWIMEFBZ-UHFFFAOYSA-N 401.182 4.941 0 1 HJAF COc1c(F)ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1N 587133287 NRIZKYBVWPFPBM-UHFFFAOYSA-N 404.161 4.741 0 1 HJAF Cn1nccc1[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337522 BAYXFWQQALBNLS-OHOZJJFFSA-N 406.457 4.720 0 1 HJAF CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587525440 OQYKVCYAANQNIN-SANMLTNESA-N 422.521 4.950 0 1 HJAF COC(OC)c1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587556253 IWJACISNIDSTOE-UGKGYDQZSA-N 410.397 4.526 0 1 HJAF CC(C)[C@@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576411 GWBOPSIJKHUATL-RCZVLFRGSA-N 403.478 4.964 0 1 HJAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(N4CCOCC4)cc3)c2c1 587644514 YLGRRMJIJUGCJX-MRXNPFEDSA-N 420.509 4.536 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)n2)N1 587680297 IIXZEXASEAYAIC-JDNHERCYSA-N 414.116 4.543 0 1 HJAF COCC[C@@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587730777 KRIQJTHPOKIBAN-RBZFPXEDSA-N 410.302 4.736 0 1 HJAF Cc1csc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n12 587854197 CHGMPQDWEHCHEZ-UHLUBPPHSA-N 414.731 4.883 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc2c(c1)OCO2 587863826 KCPSMGHDKAZOLQ-UHFFFAOYSA-N 421.400 4.551 0 1 HJAF C1=C2CCCN(CCCCCNCc3ccccc3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 653895436 LFCWBPAWCNMTHU-FICKONGGSA-N 407.646 4.842 0 1 HJAF CC(=O)O[C@@]12C[C@H]3C[C@@H](C1)[C@]1(c4cccc(F)c4CCN1[C@H]1CCSC1)[C@H](C3)C2 962701878 LRRXMNPCBFBIIG-QCQMECMTSA-N 415.574 4.526 0 1 HJAF O=C(OCc1ccccc1)N1CCC[C@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963116929 BYUYVGKFHKBYDU-OAQYLSRUSA-N 405.325 4.767 0 1 HJAF O=C(c1cccc(Cl)c1Cl)n1nc(OCCN2CCCC2)c2ccccc21 1857581903 BFWYWDUWRLIPEO-UHFFFAOYSA-N 404.297 4.506 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@]23CCC[C@@H](C)C3)[nH]c2ccc(Cl)cc12 1911577330 XZBWAFAXNGHCTI-RZZGRXHGSA-N 405.951 4.645 0 1 HJAF COC[C@@H]1CCCN1C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@@H]1C(C)C 2356553580 GRIXRNROZSZXME-CWBXHPNXSA-N 424.589 4.640 0 1 HJAF CCCn1nc2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1OCC 8628411 KGVHEGWVNMILOY-UHFFFAOYSA-N 421.419 4.674 0 3 HJAF O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1 12466652 PRBDBNFKRWJHLN-INIZCTEOSA-N 416.321 4.534 0 3 HJAF COc1ccc(CN2CCC(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)cc1 61930744 DNMYRKXTQQNJML-IBGZPJMESA-N 402.538 4.938 0 3 HJAF Cc1ccc(CNCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1 100511968 IXLKMFAUSIGXMT-UHFFFAOYSA-N 400.526 4.561 0 3 HJAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@H]1c1cccs1 6875476 UDEQWQBOSLIMOF-OFAXGOBFSA-N 416.546 4.675 0 1 HJAF O=C([C@@H]1CS[C@@H](c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 13737437 CGDAQHGJRXOMFU-GMAHTHKFSA-N 415.518 4.659 0 1 HJAF C[C@@](O)(C[S@@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801510 GJCXIQFUTFASBU-CRYYWNKWSA-N 419.827 4.995 0 1 HJAF CNc1nccc(-c2ccc(C(=O)N[C@H](C)Cc3ccc(Cl)cc3Cl)s2)n1 36144140 VAUZNVKLRSEUFA-LLVKDONJSA-N 421.353 4.915 0 1 HJAF Cc1c(Br)cc2c(c1C)N[C@H]1CCN(C(=O)OCc3ccccc3)C[C@@H]21 40556671 RSXRQYOHAKMFCB-HKUYNNGSSA-N 415.331 4.986 0 1 HJAF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3)cc1)CC2 40893400 WQFANMYSSGNEFC-UHFFFAOYSA-N 416.521 4.557 0 1 HJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)[nH]c(-c3cccs3)nc2c1 40972832 IWXAZQJAMFBEQU-UHFFFAOYSA-N 401.491 4.519 0 1 HJAF NC(=O)c1sc(-c2cnn3ccccc23)cc1OCc1ccccc1C(F)(F)F 43123518 PAUHHPAGKWCLHG-UHFFFAOYSA-N 417.412 4.760 0 1 HJAF COc1cc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc(OC)c1OC 58591799 VKGQVODOHUQMKJ-UHFFFAOYSA-N 403.438 4.772 0 1 HJAF CC(C)c1csc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)n1 64437166 YJVFMNYQMRVPQU-UHFFFAOYSA-N 420.361 4.646 0 1 HJAF COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 66258913 HWNABQNNNBLHBS-DHIUTWEWSA-N 419.477 4.593 0 1 HJAF O=C(O)C[C@H]1O[C@@H](c2cccc3c2OCCO3)c2cc(Cl)ccc2-n2cccc21 84687301 NRHOEVJTGYGNPI-CTNGQTDRSA-N 411.841 4.537 0 1 HJAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@@](C)(O)CCCCCC)O3 85595079 KBDXHODIYPYLNP-RDPSFJRHSA-N 416.514 4.573 0 1 HJAF biogenic,in-vitro C[C@@H](Cc1ccc(-c2ccccc2)cc1)SC(=O)[C@@H](C)NC(=O)Cc1cccnc1 103186366 BQGWFOPNVBDRHK-RBUKOAKNSA-N 418.562 4.687 0 1 HJAF COc1cc(-c2nnc3n2CCC[C@@H]3c2ccc(F)cc2)ccc1-c1cnc(C)o1 140542490 SDRFBEYEIFWHKL-GOSISDBHSA-N 404.445 4.982 0 1 HJAF CN1O[C@@]2(C=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCc2ccccc2C1 146793068 BISBSZKTJSDXHH-NSOVKSMOSA-N 419.528 4.829 0 1 HJAF COc1cc2c(c(OC)c1O)[C@@H]1O[C@H](c3cc(OC)c(OC)c(OC)c3-2)[C@H](C)[C@@H]1C 238776300 IHMGYSIQQKTHJB-QMOQROQPSA-N 416.470 4.500 0 1 HJAF CN[C@H]1C=CC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO 238779026 SUQIYTZXZZJGMZ-OROJKWBISA-N 412.662 4.798 0 1 HJAF O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845727 UKCKMAPJVUQTAB-QHAWAJNXSA-N 413.359 4.824 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(O)cc3[nH]2)c1C=O 586968287 PLPZAPJTFUPSKK-UHFFFAOYSA-N 412.902 4.580 0 1 HJAF CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc(Br)c21 587004297 RAMPVARMDLOMMN-UHFFFAOYSA-N 413.275 4.523 0 1 HJAF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587025606 LTNZUQVIMYNSEX-TWGQIWQCSA-N 411.508 4.604 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587076559 KJOUCHNPFRKTBS-UHFFFAOYSA-N 405.820 4.976 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2c1 587168589 JAMVARKNVVZRMS-JTQLQIEISA-N 407.239 4.781 0 1 HJAF CCCCOc1cc2nc(-c3ccc(NC(=O)OC)nc3)[nH]c2cc1Br 587245544 VNBUMKAPHOQIQD-UHFFFAOYSA-N 419.279 4.745 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507638 RPQAULXRMBSNFT-QHCPKHFHSA-N 400.421 4.658 0 1 HJAF C[C@]1(c2c(Cl)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550869 CJFMGOLAUSJTSB-VGSWGCGISA-N 406.825 4.570 0 1 HJAF C[C@@H]1CCN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583825 VEGFQWONJACNMY-KXVHNFKESA-N 415.489 4.635 0 1 HJAF CC(C)CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587613682 PDFGNLWTBZUUFA-RXVVDRJESA-N 408.479 4.633 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2CCc2ccncc2)N1 587752393 CSBXCXLMSKXUKW-SPLOXXLWSA-N 414.322 4.651 0 1 HJAF Cc1ccccc1-n1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587755562 AUZQGGHBXQMNDC-ZUOKHONESA-N 400.295 4.706 0 1 HJAF CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808119 OZTRLUWAWVOHRI-YEJXKQKISA-N 422.338 4.988 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587828271 OKLWFHFXZNESTA-RBZFPXEDSA-N 406.295 4.539 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC21CCOCC1 587835268 OPQZBVKGIIUVJQ-FPTDNZKUSA-N 416.334 4.719 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC21CCOCC1 587835272 OPQZBVKGIIUVJQ-RCDICMHDSA-N 416.334 4.719 0 1 HJAF O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2ccc(Cl)cc2)nn1 653787452 SMEYPLCWRNXDCK-UHFFFAOYSA-N 415.884 4.884 0 1 HJAF C[S@@](=O)c1ccc([C@@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801619 NCWGRILWBTWFKG-NFQMXDRXSA-N 401.963 4.965 0 1 HJAF C[C@]1(Cc2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21 653871760 VSHONSLXSFZVIG-MSOLQXFVSA-N 419.365 4.829 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1nc2ccccc2n1CCC(C)C 963060216 RQALLCOAPORICA-DEOSSOPVSA-N 400.526 4.874 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(=O)[C@@H](c1ccccc1O)Oc1ccccc12 963226223 GZCRDQCGVUADNJ-KTERKQDUSA-N 413.517 4.995 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@H]2c1c(C)nn(Cc2ccc(F)cc2)c1Cl 963269146 FXRDJYKMGKGDGW-FQEVSTJZSA-N 420.315 4.929 0 1 HJAF C[C@H](Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 11753753 BQRHOISSWJKRSW-QGZVFWFLSA-N 414.981 4.933 0 3 HJAF CCOC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 5499762 CYRGUIBVDJAYKQ-AWEZNQCLSA-N 417.918 4.543 0 1 HJAF COC1CCC(OC(=O)[C@H]2C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 11726783 RJBJIKXTJIZONR-CFVSOWAHSA-N 424.585 4.683 0 1 HJAF COc1cc(Cl)ccc1N1CCN(CC[C@H](O)c2csc3ccccc23)CC1 13861809 RTHNQOOZIMUOPA-FQEVSTJZSA-N 416.974 4.809 0 1 HJAF CC(C)O[C@H](Cc1ccc(OCc2noc(-c3ccc(C(C)C)cc3)n2)cc1)C(=O)O 26470466 JTOAFJBWGZQGSU-OAQYLSRUSA-N 424.497 4.860 0 1 HJAF CNC1=Nc2ccccc2C(c2ccccc2NC)=N[C@@H]1Cc1c[nH]c2ccccc12 26638017 LNZMNIWRLDCENK-XMMPIXPASA-N 407.521 4.921 0 1 HJAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CCCCC1 27871315 FHRNLAAJPNCFLN-UHFFFAOYSA-N 402.477 4.706 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cc5ccccc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 49807988 VJPKRQPTHVMMED-SXUTZIHKSA-N 421.581 4.972 0 1 HJAF Oc1ccccc1C1=N[C@H](c2ccc(Br)cc2)N[C@H](c2cccnc2)C1 58015050 NLSBHRRHLAPICM-GHTZIAJQSA-N 408.299 4.772 0 1 HJAF O=C(c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCCNCC1 64526699 HIHKIAUVGYPJEI-UHFFFAOYSA-N 411.505 4.858 0 1 HJAF FC(F)(F)c1ccc([C@H](NC2CCN(c3nccs3)CC2)c2cccnc2)cc1 72101018 ZHSNUXZQQLLCKH-IBGZPJMESA-N 418.488 4.905 0 1 HJAF CC[C@@H](NC(=O)c1cc(C(=O)NC2CCCCC2)n2c1CCCC2)c1ccccc1 146110992 GGSYCUFIRYOPJI-OAQYLSRUSA-N 407.558 4.768 0 1 HJAF N#CCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 166934175 YUHPSPFJMMUSHP-DHZHZOJOSA-N 411.490 4.533 0 1 HJAF CC[C@@H](C)CNC(=O)c1cncc(-c2cccc(CNC3Cc4ccccc4C3)c2)c1 206766430 OBYXJYVECVMEOE-LJQANCHMSA-N 413.565 4.782 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074283 VCRXAHZMGBASJI-UHFFFAOYSA-N 417.962 4.717 0 1 HJAF Cc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c(C)n1 587120031 ODELHBKEYWRRGA-UHFFFAOYSA-N 408.387 4.970 0 1 HJAF O=C(NCCc1nc2ccc(OCc3ccccc3)cc2[nH]1)OCc1ccccc1 587228273 LTFXKXDXMYFTER-UHFFFAOYSA-N 401.466 4.611 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587233350 NNTIAGODVSOZKE-WPRPVWTQSA-N 415.719 4.535 0 1 HJAF CCc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587343800 DOVKJNQJIOIBBB-KGNSGPCRSA-N 422.456 4.932 0 1 HJAF COc1ccc(C=O)cc1COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587398293 DIDZAAXRLWOBBI-XMMPIXPASA-N 417.461 4.684 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)OCC)CC[C@@H]1c1ccccc1 587480701 OWVRWQGEFHRCST-FHAGJXEFSA-N 408.494 4.806 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1cc(C)cc(C)c1)CC2=O 587486330 ZIRZQGWFKBHPOP-VWLOTQADSA-N 410.510 4.861 0 1 HJAF Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587557469 RXUOZNVVLZKVCN-WBMJQRKESA-N 424.762 4.501 0 1 HJAF Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587757 HOJOZODXOJNRSI-BWKNWUBXSA-N 412.445 4.649 0 1 HJAF CC(C)(C)OC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597849 WOPNBMUACDUYRA-RSGHMTPZSA-N 410.466 4.625 0 1 HJAF Cc1ccc(OC(F)F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587714539 GEAKKYVEUMFRRQ-PSLIRLAXSA-N 401.226 4.517 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(F)F)OC(C(F)F)=C2)N1 587718381 NUHVHVFKEVJBFF-SSDOTTSWSA-N 410.180 4.646 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(N)ccc12 587748168 VMOTUJAUFDLFHT-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCCC3)ccc2N)N1 587766515 NRFGXUYOPCPAEB-ASSNKEHSSA-N 418.354 4.568 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587790362 CHOHFHYKTXFNGQ-MQJDWESPSA-N 417.322 4.616 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587795471 XKUYZHNDBNHBJW-YPMLDQLKSA-N 417.278 4.700 0 1 HJAF CCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587798368 VFBQMTFAMKEIQP-JEOXALJRSA-N 416.294 4.824 0 1 HJAF CCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587833644 GYYYWFNYKTUDMM-YUNKPMOVSA-N 406.295 4.547 0 1 HJAF Cc1nc(NC[C@H]2CCCN(C(=O)C3CCC3)C2)cc(-c2ccc3ncsc3c2)n1 653665407 VJDDTTIHMCBWNA-MRXNPFEDSA-N 421.570 4.512 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ncco1)c1ccc(F)cc1F 962375228 RWOTYWFYXOPKPD-QFIPXVFZSA-N 411.477 4.703 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1ccc(C(=O)c3ccccc3)cc1)N(C)[C@H](C)C2 962642505 VXSWCSXQCMJYRB-CRICUBBOSA-N 401.506 4.901 0 1 HJAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c(-c3cccc(N)c3)ccnc12 1772655580 QAMKVWHXRIZINB-UHFFFAOYSA-N 421.460 4.537 0 1 HJAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N(C)C3CCCCC3)sc2n1 753909 WFGJTUIXQXUXPG-UHFFFAOYSA-N 400.592 4.949 0 1 HJAF Cc1cccc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1 1824467 ZEXNMZNYWXCPIN-LEWJYISDSA-N 418.518 4.731 0 1 HJAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1sccc12 1861224 QLAOOVNXTROWDF-UHFFFAOYSA-N 417.531 4.662 0 1 HJAF CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cccc(Cl)c1Cl 3815523 XAMVWASPGSOCIU-UHFFFAOYSA-N 405.289 4.501 0 1 HJAF O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1 4172274 AJALKHZZBSHUSA-QDPPLXMDSA-N 422.484 4.655 0 1 HJAF O=C(NCC/C=C\c1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589125 JNTKRACVKGTMSU-POHAHGRESA-N 400.522 4.558 0 1 HJAF c1ccc(-c2cc(Cc3ccc4ccccc4c3)c(NCCN3CCOCC3)nn2)cc1 27623189 FQTIFUAYWZPUQW-UHFFFAOYSA-N 424.548 4.632 0 1 HJAF COc1cc(/C=C/c2cc(N(C)C)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O 28949010 VRUSEVBHUMRXRT-NXZHAISVSA-N 418.493 4.917 0 1 HJAF CC(C)[C@H](N)c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 40955003 HSLXUGSHYBHXSU-JPYJTQIMSA-N 413.993 4.523 0 1 HJAF O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 53298820 IKYXYVLOGJLJTF-UHFFFAOYSA-N 403.843 4.631 0 1 HJAF O=C1CS[C@@H](c2ccco2)N1CCCCNc1ccnc2cc(Cl)ccc12 72106770 DAYLAGQHOMHSNF-FQEVSTJZSA-N 401.919 4.948 0 1 HJAF O=C(c1c[nH]c2ccc(Br)cc12)c1nccc2c1[nH]c1ccc(O)cc12 73071886 VGASSRMTJXYMCG-UHFFFAOYSA-N 406.239 4.897 0 1 HJAF CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O 95562029 YZAHEHXQIMZHAJ-HXUWFJFHSA-N 409.961 4.905 0 1 HJAF CN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253636680 OKVPDEXTEJGPIM-PUXCOOOISA-N 406.570 4.563 0 1 HJAF CC[Si]1(CC)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 473124047 MUUJLXUIYHIOQS-UHFFFAOYSA-N 404.426 4.582 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CN(Cc2ccccc2)C[C@@H]1C3 586988923 ZTISSDBOSAQXGE-UWJYYQICSA-N 418.496 4.924 0 1 HJAF Brc1cc2c(cc1/C=C/c1nc3cccc(Br)c3[nH]1)OCO2 586997388 BUIKCBFGSPQWIJ-SNAWJCMRSA-N 422.076 4.987 0 1 HJAF Cc1cc2c(Br)ccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2o1 587004751 ZTHNAUDHXFLFNT-UHFFFAOYSA-N 414.303 4.987 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3c(C)ccc(C)c3[nH]2)[C@H]1c1ccccc1Cl 587062594 HFXVVLKDTOGUJD-HTAPYJJXSA-N 411.933 4.927 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c(F)c2)c1 587147684 XUAGBYGQEAQGMH-UHFFFAOYSA-N 420.396 4.514 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)c(OC)cc4[nH]3)c(F)c2)c1 587147754 ZHWWDSIJLDFMJI-UHFFFAOYSA-N 422.412 4.760 0 1 HJAF FC(F)(F)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1 587183929 LPJCTDJLGSXYOP-PLNGDYQASA-N 415.156 4.752 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(C)(C)C 587205820 UMCZKKTUYNACMR-CQSZACIVSA-N 414.319 4.946 0 1 HJAF COc1cc2c3c(c1)O[C@](CCC1OCCCO1)(c1ccccc1Cl)[C@@H](C2)C3=O 587422787 ZXUMFVXFMFFGNK-GAJHUEQPSA-N 414.885 4.535 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cc(C=O)n(C)c1)CC2=O 587467143 OHWKIZUPHKVNIJ-DEOSSOPVSA-N 407.441 4.544 0 1 HJAF Cc1ccc([C@@]2(c3c(N)nc4n3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516505 XOVGWUTZVYLFKQ-AREMUKBSSA-N 413.521 4.508 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CCCCC2)nc1 587589509 XIMSFRPPDHYDRI-OFNKIYASSA-N 402.450 4.933 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cscc1Br 587617276 JQYQOYKYLCXWNG-MAUKXSAKSA-N 403.253 4.919 0 1 HJAF Cc1ccc(Cl)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587656652 HZKFLMVIIMHRNK-UHFFFAOYSA-N 422.843 4.884 0 1 HJAF Cc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F 587718473 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NWBHNUNUMAFJRU-QPPBQGQZSA-N 414.578 4.849 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCCc3ccccc3C2)N1 962926735 MGUNBHMHNSVBTM-AHWVRZQESA-N 415.489 4.558 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(C(=O)O)=CN(C(C)C)c1ccccc12 962955340 MGXVKCGMZOYBGI-CPJLOUKISA-N 401.510 4.533 0 1 HJAF Cc1ccc(OCc2ccccc2)c([C@]2(C)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963018570 DJHKETKDGDSQFQ-NFQMXDRXSA-N 412.533 4.891 0 1 HJAF CC[C@H]1CCCC[C@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963161131 XHLPSDBOBJYODF-AVRWGWEMSA-N 408.542 4.780 0 1 HJAF O=C(NC1CC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772605137 IXIAWXRFUMXMQT-UHFFFAOYSA-N 423.341 4.968 0 1 HJAF CC(C)=CC[C@H]1Cc2c(OCc3ccccc3)cc(=O)n(CCCO)c2CC1(C)C 1857579255 KRBNLJOQRKGAJX-NRFANRHFSA-N 409.570 4.907 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@@]23CCCC[C@H]3C)[nH]c2ccc(Cl)cc12 1911572427 ISIOGXCCKZDFTJ-POEZALAKSA-N 405.951 4.645 0 1 HJAF O=C1c2ccccc2[C@H](Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccco1 12469471 HDDKUZXMQTXGTK-XMMPIXPASA-N 421.460 4.985 0 3 HJAF C/C=C1\CO[C@@](C(=O)NCc2ccncc2)(C(F)(F)F)C=C1C=C1CCCCC1 13828959 LHQVHFHEUOFPRY-AAMSICHXSA-N 406.448 4.792 0 3 HJAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1 61908785 JZOMOHUYAQPXOT-HSZRJFAPSA-N 407.901 4.800 0 3 HJAF Cn1c(O)c(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)c(=O)c2ccccc21 3846489 XIVQLQWNIBECDV-IBGZPJMESA-N 401.491 4.661 0 1 HJAF biogenic CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OCC)cc1 4206798 BULLTWBZXXGYMK-FPOVZHCZSA-N 400.906 4.747 0 1 HJAF CN(C)c1ccccc1C[S@@](=O)c1ncc(-c2ccccc2)n1-c1ccccc1 13746225 OAKKLSLQFXANDJ-LJAQVGFWSA-N 401.535 4.913 0 1 HJAF CCCCN1CC[C@](Cc2ccncc2)(c2ccc(OC)c(OC3CCCC3)c2)C1=O 27325880 TURCQYBAPKWUEP-SANMLTNESA-N 422.569 4.925 0 1 HJAF Cc1ccc(-c2nc(SC[C@@H]3C[C@@](C)(O)CC(=O)O3)[nH]c2-c2ccc(C)cc2)cc1 27438658 OVDBTRIWXKFQPB-YADARESESA-N 422.550 4.909 0 1 HJAF CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(NC4CCCC4)cccn23)n1 28703261 SFZHOFPOUNTDEI-UHFFFAOYSA-N 402.477 4.994 0 1 HJAF NS(=O)(=O)c1ccc2nc(-c3ccc(Oc4ccc5ccccc5c4)cc3)[nH]c2c1 34231871 FYJXNYHANMMZPJ-UHFFFAOYSA-N 415.474 4.823 0 1 HJAF Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2cc[nH]c(=O)c2c1 40972868 XNDBJDASTBQWJM-UHFFFAOYSA-N 424.504 4.751 0 1 HJAF COc1ccc(-c2ccn([C@H](CC(=O)O)C3CC3)c2-c2ccc(C(N)=O)cc2C)cc1 71281037 DFKAKOVIJBUUEV-JOCHJYFZSA-N 418.493 4.664 0 1 HJAF Cc1oc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 82164505 VGRHNWKSNVWBTO-UHFFFAOYSA-N 416.456 4.750 0 1 HJAF COC[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 84742369 BBYKXKUKIDZJQS-QGZVFWFLSA-N 405.991 4.771 0 1 HJAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3)c1 95869453 GXVWFRBIVXCGPX-IEZKXTBUSA-N 420.553 4.619 0 1 HJAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(-c4ccncc4)s3)cc2)CC1 101501610 AOAIAIINPUUPKW-GASCZTMLSA-N 422.510 4.601 0 1 HJAF CSc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12 102845631 XSCNDDIBDGUSGQ-UHFFFAOYSA-N 419.897 4.675 0 1 HJAF N[C@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4ccccc4F)nc23)C1 116905072 AJEKKBSRNRYYET-KRWDZBQOSA-N 414.488 4.502 0 1 HJAF COc1cccc(N[C@H](CC(C)C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 142289257 WURXJEWKQALJRV-GOSISDBHSA-N 409.515 4.647 0 1 HJAF C[C@H]1CCC[C@H](C)N1Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 169306158 IUALIHPRDXWTSS-DINDLPBHSA-N 403.828 4.894 0 1 HJAF Cc1ccc(N2CCc3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C2)nc1 202610904 YTMKSQJDWWWAKU-UHFFFAOYSA-N 400.313 4.662 0 1 HJAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(OCc4ccccc4)c3)oc2c1 204162077 HQJIKAIHRRUGMP-INIZCTEOSA-N 411.461 4.934 0 1 HJAF COc1cc([C@H]2CC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)CC[C@H]23)cc(OC)c1O 238731048 LBLYRBKCMMKANA-BRSBDYLESA-N 414.498 4.820 0 1 HJAF COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 473135371 OMPCUOMTQJRQEV-FCHUYYIVSA-N 420.896 4.691 0 1 HJAF CC(C)COc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Br 586903835 QJJHMRZSBOWUBH-KSSFIOAISA-N 401.304 4.929 0 1 HJAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccccc4NC=O)nc13)-c1ccccc1C2=O 586997699 WBLFYKXISYVCSM-UHFFFAOYSA-N 422.440 4.617 0 1 HJAF Fc1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005475 WWWUYBNZGFRDLS-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587051109 UPRCYJQGNZSWKX-UHFFFAOYSA-N 400.063 4.653 0 1 HJAF Cc1nn(-c2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2)c(C)c1Cl 587064921 JAMYFBMNAKNZOZ-UHFFFAOYSA-N 409.921 4.626 0 1 HJAF C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc(Cl)cn1 587079578 LEGBHZQHGPVTID-LURJTMIESA-N 409.593 4.683 0 1 HJAF Cc1ccc2c3c(cc(CCN4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O 587097353 NMFJUSYDAKQNMG-UHFFFAOYSA-N 418.452 4.593 0 1 HJAF CC1=C(c2ccc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3c2)NNC(=O)C1 587145885 USNAEGGYGXFWRT-UHFFFAOYSA-N 412.468 4.715 0 1 HJAF C[C@@]1(CC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349710 JENGUCUNYHYKNV-ZCYQVOJMSA-N 420.436 4.782 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Br)ccc1O)(C(C)(C)C)O2 587375086 CBNLAMKANWJHHV-HXUWFJFHSA-N 404.304 4.952 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(OC)c1F)CC2=O 587466937 QTPFJWAMAWKFFU-INIZCTEOSA-N 409.251 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccnc3C(=O)O)cc1)CC2=O 587486816 LRMQFJPVQAZPKZ-OAQYLSRUSA-N 403.434 4.811 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cnc(N)s1)(c1ccccc1Cl)CC2=O 587494036 HRGANNIOPQEXOW-OAQYLSRUSA-N 414.914 4.946 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1)c1ccccc12 587519233 WRDRCXVIAQXPOL-HHHXNRCGSA-N 409.485 4.973 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587571492 LHIBQOMIIANBEN-FRLQODLRSA-N 401.462 4.633 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Cl)c(Cl)c2)N1 587697696 SXAVNNYLKUVJDI-HUTHGQBESA-N 419.121 4.665 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(CC3CCCCC3)n2)N1 587767400 YWLSZRIHEHNIIA-RBZFPXEDSA-N 406.343 4.989 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN3CCCC3)c2)N1 587768075 SRFWFYNCJCVDFW-SPLOXXLWSA-N 403.339 4.808 0 1 HJAF COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587774158 LSLRRRBNRFPZSS-WYRIXSBYSA-N 401.279 4.769 0 1 HJAF CCOC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587792308 BOZLMCDZSDPCGM-RNODOKPDSA-N 420.322 4.973 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)n(C)n2)N1 587852673 MSWDCINJDYMVMU-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF COc1ccc2c(c1)[C@@](c1ccccn1)(c1c(N)sc3c1CCC3)N(C(C)C)CC2 962093220 SRCBBFKINHSBOS-RUZDIDTESA-N 419.594 4.781 0 1 HJAF C[C@]1(c2c(O)nc3ccccc3c2C(=O)O)NCCc2cc(-c3ccccc3)ccc21 962670323 QOZQCSQWUVXPAD-SANMLTNESA-N 410.473 4.715 0 1 HJAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962700871 LFELNCVTKOATEY-ASSNKEHSSA-N 414.477 4.597 0 1 HJAF COc1ccc(-c2ncc([C@@H]3c4ccsc4CCN3Cc3cccnc3)cn2)cc1 962997237 LBIDKAPDRGJZHV-HSZRJFAPSA-N 414.534 4.756 0 1 HJAF C[C@]1(CC(=O)Nc2ccc(F)c(F)c2)c2ccsc2CCN1Cc1cccnc1 962998781 QFQWLJILXOBEBI-QFIPXVFZSA-N 413.493 4.724 0 1 HJAF O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@]2(C1)c1c(F)cccc1C[C@H]1CCCN12 963093573 AIHRPSPFNFIFAD-UDCNLSRBSA-N 418.512 4.670 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC4CC4)c(Cl)c3)n3c2CCOCC3)cc(C)n1 1772574746 QXPVYCRNOMZLCA-UHFFFAOYSA-N 409.917 4.996 0 1 HJAF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCn3cc4cc[nH]c4c3)c2)CC1 2356768478 OPQUROGRWPFTLL-YJLYGGOZSA-N 422.525 4.567 0 1 HJAF O=C1CN(C(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456389 FSHOZIQVEPFSAA-OAQYLSRUSA-N 412.823 4.802 0 1 HJAF CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 3955105 RHVPNYWLAXRVBA-IAGOWNOFSA-N 408.571 4.766 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O 13555748 FIVWLOUIQSKMNV-CBZYBWOJSA-N 402.531 4.631 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26389644 KFZWDYQMBIYWFQ-SCXLPSKVSA-N 402.623 4.769 0 1 HJAF O=C1CC[C@@H](CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1 45322108 QVNXDQSVSCOBNT-QFIPXVFZSA-N 418.025 4.609 0 1 HJAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc([C@@H](C)O)ccc3o2)cc1 45340295 OFJBRVPKOCARGK-MRXNPFEDSA-N 402.450 4.874 0 1 HJAF N[C@@H](COc1cc(/C=C/c2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 73297496 AQDWLHMFJHACCX-ZMBJWTFHSA-N 404.901 4.731 0 1 HJAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1 82067300 ALLHADBMVNASMF-KRWDZBQOSA-N 407.518 4.562 0 1 HJAF CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3OC)ccnc21 84709649 RHURQGMRFGKHMD-QGZVFWFLSA-N 413.905 4.799 0 1 HJAF COc1cc(OC)c2c(c1)[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 100722075 JGWSSKJXZVVXRZ-QPPBQGQZSA-N 400.454 4.602 0 1 HJAF CC[C@H]([C@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303306 CIJXDSNTGMSJOR-HRAATJIYSA-N 407.480 4.862 0 1 HJAF O=C1/C(=C(\NCc2ccccc2)c2cc3ccccc3[nH]2)N=CN1Cc1ccccc1 148833285 JOALDFGZVPYRPQ-OCOZRVBESA-N 406.489 4.697 0 1 HJAF COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3ccccc3Cl)OCC4)cc12 206834597 CHLUUWQLDURKRV-NRFANRHFSA-N 404.857 4.685 0 1 HJAF C[C@@H]1CC(=O)O[C@@]12CC[C@@]1(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@@H]1CC3 255225779 LFRYQVAXMYFDHT-ZOGDYYMBSA-N 416.602 4.775 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 255262269 RFIYLZGMGGONQR-NKYIAETPSA-N 413.646 4.626 0 1 HJAF CC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2c1 586947297 LHNDUQWXBKAKEH-UHFFFAOYSA-N 419.506 4.850 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(OC)cc4[nH]3)cc2)cc1F 587147093 FMNSIZLACMMVNE-UHFFFAOYSA-N 403.457 4.718 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 587167100 ICULRHYQRUQNCQ-HNNXBMFYSA-N 421.245 4.973 0 1 HJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587240278 BESCEPXSSVPCKN-UHFFFAOYSA-N 406.511 4.576 0 1 HJAF CCn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587326387 BMBYACJZHYZGPF-KNQAVFIVSA-N 416.399 4.576 0 1 HJAF CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587346233 IIEZLQRQFVUENV-DHLKQENFSA-N 417.436 4.861 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(C(=O)O)CC2)[C@@H]1c1ccc(F)cc1 587354965 SDTUZASBZGNIJA-BWKNWUBXSA-N 418.420 4.651 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)O2 587386936 YASPAIHEJUWVBP-XMMPIXPASA-N 405.425 4.962 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)cc1OC)CC2=O 587455507 CLWBLGSSCMEPLR-SFHVURJKSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)CC1(F)F)CC2=O 587467290 SBAUZCHSOLNSHM-QFIPXVFZSA-N 401.453 4.590 0 1 HJAF CCN(CC)C(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587504563 JZSIAYFYQRTNHN-QHCPKHFHSA-N 407.510 4.519 0 1 HJAF C[C@@]1(c2ccc(SCC(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508427 VOVAYLJCEDLHOU-QFIPXVFZSA-N 400.471 4.762 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c(F)cc(F)cc12 587566885 BALHAFHMYAFTME-WMZHIEFXSA-N 410.372 4.700 0 1 HJAF Cc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587589202 WGHTYRPXUYRIDA-ZJSXRUAMSA-N 410.429 4.861 0 1 HJAF O=C(c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587622008 UEDJFIICPMXNOB-UHFFFAOYSA-N 409.165 4.614 0 1 HJAF CCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699968 TWVZUEJZDALFQB-FVMDXXJSSA-N 400.723 4.780 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728227 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420.933 4.685 0 1 HJAF CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)c(OC)c1 1856553 JXVIDFNZNDXUGG-UHFFFAOYSA-N 421.375 4.586 0 1 HJAF CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21 29053275 KJUWYOUVPTVRFN-DEOSSOPVSA-N 411.977 4.932 0 1 HJAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1Cl 38853473 CERXYDAYZZMUJI-CQSZACIVSA-N 412.964 4.503 0 1 HJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@@H](C)[C@H]4OCC)O[C@@H](C)CC3=O 58538549 OMIZSNPUKICYBX-LIBAHTEVSA-N 420.889 4.859 0 1 HJAF OC[C@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1 66251444 CDBQSPQLPIPLAO-KRWDZBQOSA-N 415.459 4.967 0 1 HJAF Cc1ccc(CNc2nc(CN3CCC[C@@H]3c3nccs3)nc3ccccc23)o1 71937211 UCQPYSQFGBFLHC-LJQANCHMSA-N 405.527 4.937 0 1 HJAF Clc1cccc(N2CCN(CCCCOc3ccc4cn[nH]c4c3)CC2)c1Cl 95552916 IKOXHMZXTCWMQE-UHFFFAOYSA-N 419.356 4.851 0 1 HJAF Cn1cc2c(nc(NCc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1 95575129 NTSZYLQRYJXMAS-UHFFFAOYSA-N 421.464 4.550 0 1 HJAF CC(C)c1cc2c(N3CCC(COCC[C@@H]4CCCCN4C)CC3)ncnc2s1 146426759 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1 HJAF COc1cc(C)c(N)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587250556 YOJLYRQWHBYZCJ-UHFFFAOYSA-N 416.197 4.790 0 1 HJAF Cc1c(Cl)ccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327927 IGDHJIWJFULRJT-XXBNENTESA-N 423.827 4.700 0 1 HJAF COc1ccc([C@]2(c3ccccc3OC)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587397612 ADHYWTFMUJUOMN-RUZDIDTESA-N 419.477 4.512 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccccc1 587399257 HUFFTJKIZHOURF-HSZRJFAPSA-N 417.461 4.554 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(OC)c(OC)c(OC)c31)CC2=O 587481163 PZNBQRNYBNDMAD-XMMPIXPASA-N 412.482 4.568 0 1 HJAF COc1cc2c(c(OC)c1OC)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525541 PPNKPHJIFKLOAJ-VWLOTQADSA-N 408.494 4.788 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(Br)cc12 587548380 TYWILYBHYLETLK-UGKGYDQZSA-N 423.262 4.958 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCCCO2 587551502 GBKRGDXRHYATFJ-KNQAVFIVSA-N 424.836 4.910 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2Br)N1 587676949 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1 587855516 GLZIDKVKPQEDEH-CFMSYZGJSA-N 421.379 4.908 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1 587858804 BQAQXSMJOREPJR-UHFFFAOYSA-N 416.268 4.662 0 1 HJAF Brc1cnc2c(c1)CC[C@@]21c2ccsc2CCN1Cc1ccco1 962703845 HGSDSJNWBBPDHC-LJQANCHMSA-N 401.329 4.747 0 1 HJAF CCc1ccccc1[C@]1(c2cc(F)cc(F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962919704 KUPVEKVOOFSPTQ-URXFXBBRSA-N 411.423 4.557 0 1 HJAF Cc1cccc2c1[C@@H](CC[C@H]1CCCO1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905678 ZRUUALSDZTXEDK-GUDVDZBRSA-N 403.519 4.632 0 1 HJAF COc1cc2nccc([C@@H](OC(=O)C3CC3)c3ccc4ncccc4c3)c2cc1OC 1772606078 NRXQXRKXDUXHFU-DEOSSOPVSA-N 414.461 4.843 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1C(=O)c1occ(C)c1[C@@H]2OC(=O)C(C)C 2356478929 YGDIXPFBPXGHMQ-AKEUIGTLSA-N 416.514 4.955 0 1 HJAF COC(=O)C[C@H](C)CCC=C(C)CCC=C(CCC=C(C)C(=O)OC)C(=O)OC 2356532649 SEJZXIDGSAPMBO-GOSISDBHSA-N 408.535 4.691 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)CC[C@@H]2Cc3occ(C)c3C[C@@]12C 2356677179 KBUUBOOGAZPPCR-PDKZGUECSA-N 402.531 4.939 0 1 HJAF CC1=C[C@H](CNC2CCN(C)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356691117 YAXATQPBJPKCKR-MQSCRBSSSA-N 408.634 4.952 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1nn(-c3ccc(F)cc3)nc12 6482801 JAUDVHBWCFGZJO-QFNYRDOESA-N 407.533 4.744 0 1 HJAF C/C(=C\C[C@@H]1OC(=O)NC1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1 13558108 LZZJDRGBBVKRQW-GLHYLFFDSA-N 418.449 4.657 0 1 HJAF O=C(NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1)N1CCCC1 14956693 IBLLULZLFNQCIR-UHFFFAOYSA-N 412.493 4.908 0 1 HJAF COc1ccc2[nH]c3c(c2c1)[C@H](c1ccccc1)C[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 17213527 LNZROKSDUKWNAW-PTLVVNQVSA-N 422.484 4.985 0 1 HJAF O=C(NCCCN1CCc2ccccc2C1)C1=Cc2sc3c(c2CS1)CCCC3 20557554 MOKSOYQJIRHAJC-UHFFFAOYSA-N 424.635 4.779 0 1 HJAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1 26269564 NURSXRYHWKCZOQ-DLBZAZTESA-N 414.590 4.828 0 1 HJAF O=C(c1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1)N1CCc2ccccc21 27865185 PDBBHWHTQRCWFH-UHFFFAOYSA-N 407.517 4.929 0 1 HJAF Cc1cccc(C)c1NC(=O)CNCCCC(=O)N(c1ccccc1)c1ccccc1 28706781 XAQMIIBOMSEULK-UHFFFAOYSA-N 415.537 4.977 0 1 HJAF CS(=O)(=O)c1ccc(-c2nc(NCC3CCCCC3)cc(C(F)(F)F)n2)cc1 29132125 GMIANBJBVYZECH-UHFFFAOYSA-N 413.465 4.558 0 1 HJAF CC(C)c1ccc([C@](CCN2CCCCC2)(CCN(C(C)C)C(C)C)C(N)=O)cc1 40465220 BLPHPTXNQITPKP-SANMLTNESA-N 415.666 4.918 0 1 HJAF O=C(O)CCC/C=C/C[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 100570212 XBEXHWPCLKUYDD-UOZKWWBKSA-N 400.490 4.761 0 1 HJAF CO[C@@H](C)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638874 NJQFICBDDSVJKM-SLFFLAALSA-N 415.574 4.785 0 1 HJAF C[C@@H](Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2Cc2ccccc2)n1)c1ccccc1 142050987 NKICQMJTGBNAOX-XLIONFOSSA-N 402.498 4.996 0 1 HJAF COc1ccc(CN2CCC(COc3nc4ccsc4n4cccc34)CC2)cc1 169329291 LAPGVQDITXNFBP-UHFFFAOYSA-N 407.539 4.849 0 1 HJAF C[C@@H]1c2ncn(-c3ccc(F)cc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 218543276 QTQJIORCBXHVQF-GFCCVEGCSA-N 421.369 4.929 0 1 HJAF COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]43)c2c1 504789430 FGIKHFZJZSAPJO-VKZLBCMESA-N 422.569 4.767 0 1 HJAF biogenic CCCCCCOc1ccc(Br)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586982405 VSHPSSVLJMNRPQ-UHFFFAOYSA-N 424.730 4.759 0 1 HJAF FC1(F)Oc2cc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3cc2O1 586997183 AYXNJCZISUHHCX-UPHRSURJSA-N 423.169 4.546 0 1 HJAF CCOc1cc2oc(=O)c(-c3nc4c(F)cccc4[nH]3)cc2cc1Br 586997513 CYLLFYUNBNJIJM-UHFFFAOYSA-N 403.207 4.637 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)cc(F)c3[nH]2)c1 587047905 CBWVIZOIZWTZTQ-VOTSOKGWSA-N 418.831 4.885 0 1 HJAF COc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144148 RSFHIBPQLGYTRH-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF COc1cc(N)c(I)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587179261 SWKXSAHSFCLHCI-UHFFFAOYSA-N 421.282 4.723 0 1 HJAF CCCCCOc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276000 IPBFELOHMJXPBU-UHFFFAOYSA-N 418.287 4.883 0 1 HJAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343764 DJNYKQGKPBQYDR-HYBUGGRVSA-N 423.440 4.703 0 1 HJAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(Br)cc4)cc3)nc2n1 587366216 LHWVCXLVRNRWRK-UHFFFAOYSA-N 410.227 4.658 0 1 HJAF C=Cn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1CCN(Cc1ccccc1)C2 587389299 GHPNBBCTOIKNOZ-VWLOTQADSA-N 413.521 4.744 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCC(C)(C)c4c1[nH]c1ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587438781 QVEKFYKVWWKPCU-IVCQMTBJSA-N 417.461 4.589 0 1 HJAF CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587508314 ANZACLSKENKLPO-DEOSSOPVSA-N 408.498 4.610 0 1 HJAF O=C(O)c1ccc([C@]2(Cc3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515952 SAMXIPKBOMPWFG-SANMLTNESA-N 413.473 4.762 0 1 HJAF COCOc1cccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516790 ZTIJJQKIWCEFKX-AREMUKBSSA-N 415.489 4.852 0 1 HJAF C[C@]1([C@H]2CCN(Cc3ccccc3)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584181 XALGVGFFDPQHLB-FPDDQMOCSA-N 415.489 4.635 0 1 HJAF CCOC(=O)c1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599562 XWWXSFSPEAWOJL-OFVILXPXSA-N 418.445 4.532 0 1 HJAF C[C@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605201 BLHZWIKOKHTYIJ-WMZHIEFXSA-N 422.458 4.603 0 1 HJAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1 587650543 NGAMGEJDHOGXCY-AWEZNQCLSA-N 414.527 4.824 0 1 HJAF Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Cl 587656206 CVOYJUGUOVKJPY-CQSZACIVSA-N 424.863 4.571 0 1 HJAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br 587676811 FWNLPTJPWKFVMI-BCTVWOGZSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 587710253 QXUXZERFCGTFCC-FVMDXXJSSA-N 416.212 4.957 0 1 HJAF CCc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587746180 YSFUHCSIRNQNOD-LRTDBIEQSA-N 419.338 4.929 0 1 HJAF Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1-c1ccccc1 587754831 NBNVDYIGKNTMAY-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3=O)cc2)N1 587764975 HVMZFRJHCGDHSM-YEJXKQKISA-N 417.322 4.513 0 1 HJAF COc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780043 XSFMNRHVFZLRML-GIPWTMENSA-N 401.279 4.769 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798497 OOTAKLCCZYQPLT-PTAUBWNISA-N 400.332 4.563 0 1 HJAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587835644 WXRGBJGAAHRRGC-QKAVXHIFSA-N 420.322 4.554 0 1 HJAF COc1ccc2cc(-c3cc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)co3)ccc2c1 621431275 XROCLKUOLBXPOQ-JOCHJYFZSA-N 415.445 4.534 0 1 HJAF CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1 653718812 LUPJACSLHHJFMT-UHFFFAOYSA-N 416.591 4.515 0 1 HJAF CCOC(OCC)c1ccc([C@@H]2c3cc(OC)ccc3CCN2CCCOC)cc1 961326139 QZLFDJVLRJDUGJ-XMMPIXPASA-N 413.558 4.751 0 1 HJAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3cccnc3-c3ccncc3)C2)cc1 962630793 FVJXRXKRZFNNTD-UFHPHHKVSA-N 418.544 4.980 0 1 HJAF COC(=O)[C@@]1(C)CCc2ccccc2[C@]12c1ccsc1CCN2Cc1cccnc1 963002689 DHFOEZRQYFYRSD-RPBOFIJWSA-N 418.562 4.571 0 1 HJAF C[C@H]1c2c(F)cncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772578806 RMWFPAYOTQJEQE-MOPGFXCFSA-N 418.516 4.902 0 1 HJAF COc1ccc(C(=O)[C@@H](CCC2CCN(Cc3ccccc3)CC2)C(C)=O)cc1OC 1772579612 LKNNUHOFKGKYOP-QHCPKHFHSA-N 423.553 4.784 0 1 HJAF O=C(O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1 1857563501 FQOYUYHOZUKJQY-UHFFFAOYSA-N 419.549 4.582 0 1 HJAF CC(=O)N(Cc1ccco1)c1nc(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12 1857766745 QXIUAGMTFWTFLK-UHFFFAOYSA-N 410.836 4.734 0 1 HJAF CCC[C@H](CC(=O)OC)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)CCC(C)(C)O2 2356511060 WJKQSIIVJOFWKK-BFHYXJOUSA-N 404.503 4.542 0 1 HJAF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356545119 MSICKHSMAWNUCH-VXNXHJTFSA-N 423.601 4.838 0 1 HJAF CCOc1ccc2nc(N3CCC[C@H](N(C)Cc4ccncc4C)CC3)nc(C)c2c1 12151927 CVYDXKVHYUXBLD-NRFANRHFSA-N 419.573 4.531 0 1 HJAF CCN1CCN=C1c1ccc(-c2ccc(-c3ccc(C4=NCCN4CC)cc3)o2)cc1 13602504 BZCJMPSKDBBSCB-UHFFFAOYSA-N 412.537 4.778 0 1 HJAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3ccccc3)nc21 13780916 GCVONYYXPDJZOE-UHFFFAOYSA-N 411.292 4.914 0 1 HJAF CCNC(=O)N[C@H]1CCN(c2cccc3oc(CCCCc4ccccc4)cc23)C1 28379094 CYFFUVJFCPIIJE-FQEVSTJZSA-N 405.542 4.896 0 1 HJAF CCC[C@@H](O)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29242205 HQNASEHVPXFKAY-LLVKDONJSA-N 411.405 4.502 0 1 HJAF COc1ccc([C@@H]2CC3(N4CCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 40810672 HWQISLZWCOZLRA-IVLXBCIGSA-N 407.554 4.580 0 1 HJAF NC[C@H](NC(=O)c1cc(C2CC2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1 40896692 ZXAIWDLCJKVDIG-IBGZPJMESA-N 402.523 4.599 0 1 HJAF COc1cc(C2=NN(S(=O)(=O)c3c(C)cc(C)cc3C)CCCC2)ccc1Cl 45189786 BSIDGCLXPWEEMU-UHFFFAOYSA-N 420.962 4.853 0 1 HJAF Cc1nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)n([C@@H](C)C2CC2)n1 49112373 ALYLZBHAZKKANS-ZETCQYMHSA-N 407.223 4.987 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 70454876 MWBJDDYEYGDWCZ-DEZDYDBTSA-N 413.646 4.771 0 1 HJAF biogenic,in-vitro CCO[C@@H](Cc1ccc(OCCc2nc(-c3sccc3C)oc2C)cc1)C(=O)O 72107799 QCHCMMQOWAXIGU-IBGZPJMESA-N 415.511 4.674 0 1 HJAF O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)OCCC1CCCCC1 82084956 ZAGGHXCURUOEHP-UHFFFAOYSA-N 406.935 4.707 0 1 HJAF CCCC[C@H](Nc1nc(-c2ccccc2OC)cs1)C(=O)NCCCOC(C)C 82195639 PHQVEYFEANPGPM-SFHVURJKSA-N 419.591 4.721 0 1 HJAF O=C1NC(=O)[C@@H](N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(Cl)cc2)S1 96921577 DMNJHQHXDDKPBO-FPOVZHCZSA-N 421.909 4.953 0 1 HJAF Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)ncc1Cl 117301817 MTGOYRBSVWOIKE-FZNQNYSPSA-N 407.345 4.801 0 1 HJAF CCOc1cc([C@@H](Nc2ccc(C(=N)N)cc2)c2ccccn2)ccc1OC(C)C 143222703 YTINDOOOAFEFQT-HSZRJFAPSA-N 404.514 4.753 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccc(Oc3ccccc3)cc2)n1 221307874 KWEXEVWJVYFBQF-HXUWFJFHSA-N 404.470 4.862 0 1 HJAF CC(=O)OC/C=C(\C)C[C@H](O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]12C 238769566 XSWLZHVYMDZOHK-ITHYRWBJSA-N 406.563 4.587 0 1 HJAF CCCCOc1ccc(C(=O)NN2Cc3ccccc3N[C@@H]2c2ccc(O)cc2)cc1 474604631 DJHYOFKKEDYHMW-DEOSSOPVSA-N 417.509 4.842 0 1 HJAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587041750 GABVJLCXNXATQF-LLVKDONJSA-N 402.745 4.599 0 1 HJAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)nc1OC 587096199 FLRKBLXPNRGQJZ-UHFFFAOYSA-N 412.445 4.842 0 1 HJAF Fc1cc(Br)ccc1-c1nc2cccc(I)c2[nH]1 587142842 NNXNEVAUKDJZIC-UHFFFAOYSA-N 417.019 4.736 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N1CCCC1)O2 587378190 SGWAAVWIPBJITP-LJQANCHMSA-N 401.304 4.646 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1Cc1ccc(C)cc1)[C@@H](C2)C3=O 587433628 ZUMJJWYNHWQCIZ-UQBPGWFLSA-N 410.473 4.890 0 1 HJAF Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C(C)C)cc1Cl 587650788 DWAXFLOFIJVEMZ-UHFFFAOYSA-N 405.281 4.854 0 1 HJAF CCCCN(CCCC)c1ccc(-c2nn(C(=O)OC)c(=O)c3ccccc23)c(O)c1 587660989 LNHFCTFEBSPFEO-UHFFFAOYSA-N 423.513 4.790 0 1 HJAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1Cl 587692108 JUKZCTJUYUJXGM-DYBLOJMWSA-N 413.718 4.630 0 1 HJAF CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O 587698089 YETBPCAQCSIDIT-VVVCHXIZSA-N 414.702 4.970 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728349 ALDPHHIDEKKGOP-JEOXALJRSA-N 409.274 4.506 0 1 HJAF COc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587772269 ZJWJTAGDVZEDRS-AWEZNQCLSA-N 419.338 4.627 0 1 HJAF CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795961 JUCZNOCTTSUCFL-XIKOKIGWSA-N 400.332 4.707 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587816491 YWRMLYBFOYLLQQ-FIKIJFGZSA-N 418.306 4.791 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)o2)N1 587841434 BJMLXAPMOOGDKP-QGHHPUGFSA-N 420.307 4.746 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)CCO2 587864479 KPCWUXJFBJQWOI-UHFFFAOYSA-N 402.372 4.591 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1CCC(C)CC1 587866030 BLSLCSIKFSRLDN-MRXNPFEDSA-N 423.479 4.976 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(C(F)(F)F)c1 587868566 OJBCFAMYHHCUCD-UHFFFAOYSA-N 415.293 4.680 0 1 HJAF Cc1cc(C)c(C)c([C@]2(C[C@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)c1C 962925519 ZHXOCTZMRBPDCX-BZQUYTCOSA-N 411.590 4.667 0 1 HJAF CC(C)Oc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1Cl 963231573 NFMFBEJQQBJRGX-REWPJTCUSA-N 410.901 4.538 0 1 HJAF O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)c(F)c1)C1CCCCC1 1857556659 ZMUYUPCRXUFWFP-UHFFFAOYSA-N 406.498 4.602 0 1 HJAF CC1=C[C@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356514400 DZPWFOXQGMGBGX-ZRBLBEILSA-N 409.574 4.774 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4041527 MLSURWXIZDSBDQ-LADGPHEKSA-N 407.558 4.884 0 1 HJAF O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1c(Cl)cccc1CO 27311515 SFUXKNOKDVPGIY-UHFFFAOYSA-N 415.877 4.879 0 1 HJAF O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](N1CCCCC1)O2 28126150 ZJMGZUMWNMFBEJ-XMMPIXPASA-N 406.526 4.942 0 1 HJAF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccccc1)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088107 BXNNFPHCTNPRQD-LWKKZUAWSA-N 402.538 4.733 0 1 HJAF COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(=O)O)c2)n1 66101194 BDUACRVWCKJSNP-UHFFFAOYSA-N 418.280 4.812 0 1 HJAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1)c1ccc2cnccc2c1 72178907 REUCABNHPPJJRD-FXAWDEMLSA-N 400.309 4.622 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCCOC)nc1-c1cccc(C)c1 82147319 LJJDTCCKSNNBNA-UHFFFAOYSA-N 418.541 4.563 0 1 HJAF OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95874544 CPGJSWPJIQFYIV-ZRBLBEILSA-N 418.503 4.531 0 1 HJAF COc1ccc(OC)c(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2cc(OC)ccc2OC)c1 103191821 LBYLUJZFUBILFH-QDFBCBDNSA-N 408.498 4.605 0 1 HJAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@@H](c3ccccc3)C2)cc1 103216809 DKAZABRDWZNOHD-HXUWFJFHSA-N 421.403 4.792 0 1 HJAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)n2)C1 140820911 ZODLANPEWOOBCB-XHSDSOJGSA-N 422.479 4.905 0 1 HJAF O=C1C[C@@H](Sc2ccc(F)cc2)N1C(=O)NC(c1ccccc1)c1ccccc1 299866384 OTCVHCLJVNBMGJ-OAQYLSRUSA-N 406.482 4.975 0 1 HJAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(=N)N)cc2[nH]1 586981318 HNKAMSLJUJYYAS-UHFFFAOYSA-N 401.308 4.701 0 1 HJAF O=C(NCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1cc2c(s1)CCC2 587034300 HFWGOOINOMWHEQ-UHFFFAOYSA-N 403.507 4.622 0 1 HJAF COc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1OC 587166660 ZIPHBRKSQDVRCF-UHFFFAOYSA-N 408.458 4.686 0 1 HJAF CC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587345036 IGNHFUSNSQWJMF-QPPBQGQZSA-N 407.441 4.953 0 1 HJAF COc1cccc(-c2cc([C@@H]3CN(C)CC[C@]3(C)O)nc3c2oc2ccccc23)c1 587362965 KJYDYTNRTXCAQP-CPJSRVTESA-N 402.494 4.827 0 1 HJAF C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518509 JWPGHNGONJAGLW-UAOJZALGSA-N 415.530 4.660 0 1 HJAF CC(C)[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594258 NQWDUHTURNPLPF-WIOPSUGQSA-N 404.462 4.965 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CO)(c1ccccc1)CC2 587607279 HGHRVTLJCMFHKA-IKJWCUOUSA-N 416.473 4.597 0 1 HJAF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2n1 587659844 FYUDSNNPNFEVNJ-UHFFFAOYSA-N 409.420 4.748 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742453 RKMIWGOZRFHSAG-BDJLRTHQSA-N 415.347 4.809 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1 587762908 GUKVMOLWAMXIJO-BXJCWQANSA-N 406.343 4.946 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798495 OOTAKLCCZYQPLT-PJFSTRORSA-N 400.332 4.563 0 1 HJAF CCOC(=O)C[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798550 OXTJHCJBYDLWPN-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF CCOc1cc(OC)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587803498 WQJGBSDFKXNTKE-ODXCJYRJSA-N 408.311 4.793 0 1 HJAF COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809287 SHPXKLDVXMUSQC-QKVFXAPYSA-N 422.338 4.906 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587832835 DDPNCEAPOCRJJS-SOUFYDLCSA-N 404.279 4.780 0 1 HJAF C/C(=C\[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587845381 DYBMRYLBRUMJFE-LHIATFLGSA-N 409.368 4.893 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccn3)n2)N1 587852132 KMASFGAOGXTQGQ-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1c(C)n[nH]c1C 587860316 TXNQAKJGFSBXCA-UHFFFAOYSA-N 407.301 4.869 0 1 HJAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3noc(Cc4ccccc4)n3)cc2)CC1 653786113 VDDYJROJCPXWQG-IYARVYRRSA-N 419.481 4.661 0 1 HJAF Cc1ccc([C@@]2(CCNc3ccc(F)cc3)NCCc3c2c(C(C)C)nn3C)cc1 962907762 IUFAFQSBACFZOW-RUZDIDTESA-N 406.549 4.883 0 1 HJAF Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)CC(C)(C)CC1=N2 1857576007 MVKFBFYPPBPYEP-NHCUHLMSSA-N 407.514 4.899 0 1 HJAF CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccc(C)cn12 1857596391 WGDXCOJKSFFXNN-UHFFFAOYSA-N 419.312 4.732 0 1 HJAF CN(C(=S)SCc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1 1857653435 MFNOYIFXECSAPC-UHFFFAOYSA-N 408.552 4.571 0 1 HJAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@]4(C)C3=CC[C@@H]12 2356392575 HBDJSKMXFZVHGN-PKIAOTFVSA-N 411.586 4.535 0 1 HJAF N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2c(F)cccc2Cl)o1 1256689 VBCLHIIKYWUYIE-INIZCTEOSA-N 402.882 4.878 0 3 HJAF COc1ccccc1CNc1nc(NCCOc2ccccc2)c2sccc2n1 61903336 GKDVXVOXFNVFMY-UHFFFAOYSA-N 406.511 4.803 0 3 HJAF COc1ccc(-c2cc3nc(NCC4CCCCC4)n(C)c(=O)c3s2)cc1OC 61926169 IXYYDKXMNFDVNZ-UHFFFAOYSA-N 413.543 4.671 0 3 HJAF O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2ccc(C(F)(F)F)cc21 578789 QYQQPOAMTVZFQL-UHFFFAOYSA-N 414.387 4.669 0 1 HJAF CC1=C(/C=C/c2cc(N3CCN(c4ccccc4)CC3)nc(N)n2)C(C)(C)CCC1 28712582 WIFPCGIGZLODJI-VAWYXSNFSA-N 403.574 4.925 0 1 HJAF Cc1cc(I)c2ncc(CSCCc3ccccc3)n2c1 28877311 ACTVUNQBPXQVIH-UHFFFAOYSA-N 408.308 4.723 0 1 HJAF NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1 66073725 VQDHOYFDFLRELQ-UHFFFAOYSA-N 415.150 4.520 0 1 HJAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185498 SRTXNPCMMSAONR-UHFFFAOYSA-N 411.868 4.544 0 1 HJAF CCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1 84596616 ZQXYAXCRCBTDIH-UHFFFAOYSA-N 409.917 4.676 0 1 HJAF CC(C)C[C@H](Nc1ccc2ccccc2n1)c1ccc(C(=O)NCCC(=O)O)cc1 169711320 CXWPZMBWNDCHAD-NRFANRHFSA-N 405.498 4.639 0 1 HJAF O=c1[nH]c(O)c(Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2Cl)s1 169722724 PUEZSHVXMBOEHM-UHFFFAOYSA-N 403.674 4.880 0 1 HJAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O 200829269 MQECJTQJIRQLIM-UHFFFAOYSA-N 423.366 4.786 0 1 HJAF Cc1cc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)ccc1OCC(C)(C)C(=O)O 205346983 VRBFPBCGRGSENR-UHFFFAOYSA-N 419.403 4.956 0 1 HJAF Clc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c(Cl)n1 586997865 DKPSCQDPGYSPNG-UPHRSURJSA-N 413.058 4.926 0 1 HJAF Clc1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1Cl 586998858 QNKPLQRSJQDZSU-UPHRSURJSA-N 413.058 4.926 0 1 HJAF Fc1cc(Cl)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018720 MJJZDJPCVOBLIK-UHFFFAOYSA-N 401.850 4.841 0 1 HJAF O=S(=O)(c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1)C(F)(F)F 587022977 AZHCZYSGQNACLC-UHFFFAOYSA-N 415.443 4.708 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cncnc2)[C@H]1c1ccc(F)cc1 587346730 NAQRZHKFGGGKNH-ZCYQVOJMSA-N 412.420 4.624 0 1 HJAF CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350136 HIXRVUYVXMWQEN-QPPBQGQZSA-N 406.409 4.894 0 1 HJAF CCCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411545 DFTVWVDXDIAESX-QRWLVFNGSA-N 403.272 4.735 0 1 HJAF COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587425320 BOWPVZWIEAQRET-YKSBVNFPSA-N 418.420 4.777 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4cccc(F)c4)c1)[C@@H](C2)C3=O 587426191 ABGYJJPJAFFDOA-DFBJGRDBSA-N 420.436 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3cc(C)on3)c1)CC2=O 587470808 OPCAFPZRWUVMIW-XMMPIXPASA-N 420.465 4.774 0 1 HJAF Cc1ccc2c(c1N)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587507883 CLYGTNSPWSICRK-HHHXNRCGSA-N 409.485 4.909 0 1 HJAF O=C(O)Cn1cc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515164 JWXOQORTDDRWSP-SANMLTNESA-N 415.489 4.875 0 1 HJAF Cc1nc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549421 WVHHEEBVZATFCK-YLJYHZDGSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(CC2CCCCC2)n1 587580494 IIQBDNXYFWGBJE-URXFXBBRSA-N 404.466 4.872 0 1 HJAF CCCCC[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581785 MRSNVDPXNNFDNZ-ZJSXRUAMSA-N 406.482 4.872 0 1 HJAF CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCCC1 587628717 XYYQWRXLYKIEDX-UHFFFAOYSA-N 408.342 4.911 0 1 HJAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1Cl 587691247 DOOOARZPVVKTNW-DYBLOJMWSA-N 413.718 4.630 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc3c2OCOC3)N1 587695131 IGGYDKOVPGBPBY-XLFHBGCDSA-N 412.686 4.732 0 1 HJAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1 587761824 WQSBSOLABRLIKS-ASSNKEHSSA-N 414.322 4.921 0 1 HJAF Cc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587775423 QXLMMQPVANZMDY-XCLFUZPHSA-N 412.306 4.977 0 1 HJAF CC(=O)Oc1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814471 ZQOGLMLDQXBPPA-BLVKFPJESA-N 406.295 4.754 0 1 HJAF CCc1ccc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839629 TXZSLENKYMFHEJ-YBTHPKLGSA-N 416.290 4.881 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)nn1 587864434 GZFJPRSQAVKKIE-UHFFFAOYSA-N 402.298 4.766 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cc(F)cc(Cl)c1)(C1CCCC1)NCC2 962924516 KLYGEZFZTCQWHP-HSZRJFAPSA-N 400.925 4.760 0 1 HJAF C[C@]1([C@@H]2C[C@@H](N)c3ccccc32)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961123 QTUHZYRXKYWQRT-KCZVDYSFSA-N 416.487 4.759 0 1 HJAF Cc1ccc(C(=O)Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 61925722 BCUYPBIODKWPRI-INIZCTEOSA-N 405.445 4.965 0 3 HJAF COc1ccc(C(=O)N(C(=S)OCCOc2ccccc2)c2ccccc2)cc1 1655248 AWIMFMHQNLHSQO-UHFFFAOYSA-N 407.491 4.723 0 1 HJAF O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc(C(=O)O)cc1 4258296 RGADJDUZNWOKFH-UHFFFAOYSA-N 405.494 4.870 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@]12C 13301177 QHWXZKKFMSATQN-KDGWLSIRSA-N 420.590 4.979 0 1 HJAF biogenic c1ccc(OCc2nnc(CCCCCc3nnc(COc4ccccc4)o3)o2)cc1 13645644 RHZFSMFZEMBZMN-UHFFFAOYSA-N 420.469 4.566 0 1 HJAF CC[C@H](COC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32 13672730 XRKLENBXCYDLAH-CQSZACIVSA-N 405.329 4.959 0 1 HJAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2[C@H]2CCCC[C@H]21 22941315 FNYJYFAJIFQJRG-ISKFKSNPSA-N 423.988 4.531 0 1 HJAF CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1C/C=C/c1cccc(N)c1 28758902 KGDIXRUPHWTRKD-GDQKNDLDSA-N 417.557 4.735 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 34801455 HNCAMNUTTBOMFY-LYZOWHQXSA-N 402.623 4.725 0 1 HJAF Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1 40939480 RGJKMQUWZRECNS-NDEPHWFRSA-N 424.544 4.712 0 1 HJAF O=C(Nc1ccc2nc(CO)cn2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 43068422 NUYIAOHGRUKRRC-UHFFFAOYSA-N 411.383 4.765 0 1 HJAF CC(C)CNC(=O)c1ccnc(-c2ccc(CNCCCc3ccccc3)cc2)c1 45226576 GDQWSJKXGACODM-UHFFFAOYSA-N 401.554 4.857 0 1 HJAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCN1CCCCC1)[C@H]3c1cccc(O)c1 45351700 KAWLEOFRFLUVTP-SANMLTNESA-N 417.553 4.532 0 1 HJAF CCOC(=O)Cc1cc(Br)c(OCCC(C)C)c(Br)c1 64513230 PBDOTOUKVLMOAS-UHFFFAOYSA-N 408.130 4.742 0 1 HJAF O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(Cc2ccncc2)CC1 96285769 CVYGVCRZCVMCSK-UHFFFAOYSA-N 419.500 4.650 0 1 HJAF COc1ccc(CN2OC(C)(C)[C@H]3COc4ccc5c(=O)c(C)c(C)oc5c4[C@H]32)cc1 96924224 PTHJFMBXEZVGOY-UGKGYDQZSA-N 421.493 4.694 0 1 HJAF CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(OC)cc1 103266123 BXYUNBOQOHPQCP-UHFFFAOYSA-N 400.950 4.723 0 1 HJAF CC1=Nc2ncnn2[C@@H](c2cccc(Br)c2)/C1=C(\O)OC1CCCCC1 104060234 PKZJFRRGRXUIGG-HVESIFNPSA-N 417.307 4.855 0 1 HJAF COc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1F 143159511 DSGSRMJPDQBTMM-UHFFFAOYSA-N 423.227 4.874 0 1 HJAF CC[C@@H](C)C(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 165908773 ISGVOILXCPQWBH-GOSISDBHSA-N 421.541 4.650 0 1 HJAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cn1)N1Cc2ccccc2C1 166970631 CGCJYFXQRYMLFY-UHFFFAOYSA-N 424.504 4.559 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 169319213 NVBZLUSKXDCJBQ-CBOBAEOPSA-N 402.623 4.580 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169370516 GZGRNURZGJTHEM-PAPZRDAFSA-N 402.623 4.725 0 1 HJAF Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3cccc4cnccc34)ncc1CC2 169702167 XLWIGFBKZAWRMC-UHFFFAOYSA-N 418.504 4.858 0 1 HJAF O=C(Nc1ccc(SC[C@@H]2CCCN3CCCC[C@@H]23)nc1)c1cccnc1Cl 504576631 WRPYPJJMEXUTIN-YJBOKZPZSA-N 416.978 4.739 0 1 HJAF biogenic CC[C@@H](Oc1ccccc1Cl)c1nc2cc(I)cnc2[nH]1 587062230 OOCGRNOEGRZQSL-GFCCVEGCSA-N 413.646 4.746 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587258215 AXKRTUKFXOSRGE-AWEZNQCLSA-N 414.296 4.837 0 1 HJAF Cn1ncc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587345239 YWWPWISUTSJREJ-VWNXMTODSA-N 402.425 4.692 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)OCC)c3ccccc13)CC2=O 587475310 LZGBKHUKNZCZHP-JOCHJYFZSA-N 407.466 4.569 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)cc2)N1 587751699 AKGYGZGRGYPPJV-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF COc1cccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587765519 CYHGVYXVZALRQF-CQSZACIVSA-N 419.338 4.627 0 1 HJAF COc1cc(C)c(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805536 GHYJFGFJPGVEHH-LRTDBIEQSA-N 422.338 4.906 0 1 HJAF CC(=O)SC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587844195 KUYMCVFECQSQOV-CWTRNNRKSA-N 408.336 4.646 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)cc(-c2ccccc2)n1 587862598 DXHWVRAQLRNOPE-UHFFFAOYSA-N 412.371 4.729 0 1 HJAF Oc1ccc(OCc2ccccc2)n1-c1cc(Br)cnc1Br 587939660 IBBBQQGQSZEFHT-UHFFFAOYSA-N 424.092 4.682 0 1 HJAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 1772573775 KPCHHLHOZXEQNM-ZDUSSCGKSA-N 415.902 4.547 0 1 HJAF COc1cc2c(cc1Br)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857590662 QPIBFFXOJGPEDG-WIYYLYMNSA-N 401.348 4.910 0 1 HJAF COc1ccc2c(CN3CCC4(CC3)OCCO4)cn(CCCc3ccccc3)c2c1 1857633691 ZKVYPSDJKNPYNT-UHFFFAOYSA-N 420.553 4.622 0 1 HJAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CCc1c[nH]c2ccccc12 72122882 SDMAHUITVLAFEU-AREMUKBSSA-N 411.505 4.883 0 3 HJAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)cc1 2483467 OWICTBUZHZUIGG-UHFFFAOYSA-N 408.498 4.847 0 1 HJAF COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1OC 3814666 LTICETBYOXBZNU-UHFFFAOYSA-N 404.434 4.720 0 1 HJAF COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1csc2ncnc(N)c12 13673682 AUEDINJRBZYSTK-UHFFFAOYSA-N 405.483 4.902 0 1 HJAF CC(C)CC(C/C=C1/C[C@](CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C 13683999 BKNVHJDEURXREP-XFOXHJFNSA-N 402.531 4.546 0 1 HJAF CCN(CC)C(=O)/C=C1\CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29410844 XZGUOAXOYPYCGD-ZCTFSJQDSA-N 400.607 4.645 0 1 HJAF CCC[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 36222184 NYYAWUQQKRNUEW-HSZRJFAPSA-N 424.508 4.728 0 1 HJAF CCC[C@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NCCc2ccccc2)n1 45228732 QQFGYCSGTRACOV-RXVVDRJESA-N 411.594 4.571 0 1 HJAF Oc1ccccc1C1=N[C@@H](c2ccc(Br)cc2)N[C@H](c2cccnc2)C1 58015052 NLSBHRRHLAPICM-RXVVDRJESA-N 408.299 4.772 0 1 HJAF Oc1c2cnnc-2nc(SCc2c(F)cccc2F)n1-c1ccc(Cl)cc1 101572930 RTMAZUJNQOZSRU-UHFFFAOYSA-N 404.829 4.697 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(O)c2)C2=C(O)CC(C)(C)CC2=N1 104008136 NCWYBWLPYASBKA-DYESRHJHSA-N 411.498 4.559 0 1 HJAF C[C@]1(O)CC[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1 144076940 BRVHEKADILFBGL-GKVSMKOHSA-N 413.477 5.000 0 1 HJAF COc1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c(Cl)c1 219725251 FHYHECDEOUNXFL-OAQYLSRUSA-N 423.940 4.814 0 1 HJAF CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@@H](OC(C)=O)C[C@H](C)[C@@]12C 238744986 JKBLJUFERPGEOU-UPPJQGEPSA-N 402.487 4.709 0 1 HJAF O=S(=O)(Nc1ccccc1)c1ccc(-c2nccnc2Cc2ccccc2)cc1 299822638 OQHGYDFCYFPABG-UHFFFAOYSA-N 401.491 4.535 0 1 HJAF C[C@@H]1[C@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 299879741 LEAXMMRZYWLUQL-VXIWKAIFSA-N 422.548 4.683 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4c(Cl)c(Cl)cnc4[nH]3)n2C)cc1 586965737 XGBGGTFZVPGNDV-UHFFFAOYSA-N 405.314 4.661 0 1 HJAF Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br 587003503 LCOKLYBMHNPNHE-UHFFFAOYSA-N 406.081 4.940 0 1 HJAF Fc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1Br 587004349 TXPRHJCDMGHOKP-UHFFFAOYSA-N 410.044 4.770 0 1 HJAF CC(C)n1c(-c2nc3cc(CO)ccc3[nH]2)cc(Br)c1Br 587004951 FXQAAOFLMWAMDI-UHFFFAOYSA-N 413.113 4.630 0 1 HJAF COC(=O)c1ccnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015858 VQRHGBHFXPRHDF-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)c2)c1 587231599 BZIQEVPCJFPARK-UHFFFAOYSA-N 410.399 4.594 0 1 HJAF CCOC(=O)c1cnc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1Cl 587379231 GPEMQYIYUMLWMK-HSZRJFAPSA-N 424.884 4.836 0 1 HJAF CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587524441 QNRRPBXCGLOIKU-AREMUKBSSA-N 404.506 4.868 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552041 MMKJVRIDZPXTHZ-AVRDEDQJSA-N 406.825 4.705 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1c(F)cccc1F 587559814 ZCAXSFLUFAPGNY-WMZHIEFXSA-N 420.371 4.763 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccc(F)cc1 587572334 SARSLVJVSXMDKL-WIOPSUGQSA-N 413.404 4.832 0 1 HJAF CCOP(=O)(C[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC 587608741 SMKPUFNYOZWWTM-RXVVDRJESA-N 420.398 4.769 0 1 HJAF Nc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587614732 SZOCPKBWFYRDQB-QPPBQGQZSA-N 415.470 4.941 0 1 HJAF CCC(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587745477 WGTZDLMKQOIAIG-ODXCJYRJSA-N 405.311 4.734 0 1 HJAF Cc1ccnc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587758739 XYOYNDTXVRBGII-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@@H](c1ccccc1)N1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766781 HVYCIMMVZZUXQI-LRAJWGHMSA-N 403.339 4.785 0 1 HJAF COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587783244 JVBFGFXAAKYFGA-UHFFFAOYSA-N 413.193 4.727 0 1 HJAF Cc1noc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587791053 FHHUONVLWFINQZ-MLCYQJTMSA-N 402.267 4.570 0 1 HJAF CN(C)[C@H](Cn1c(O)cc(Cc2ccccc2)c1O)c1cccc(Br)c1 587940266 NUDLJKNOVDABIH-LJQANCHMSA-N 415.331 4.556 0 1 HJAF O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccco3)c2O)c1F 587943555 IMBFIMMITXFKHC-UHFFFAOYSA-N 411.360 4.784 0 1 HJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)on3)cc2)no1 653834978 ROWQYTIRUFMIIY-UHFFFAOYSA-N 409.446 4.620 0 1 HJAF Cc1nn(-c2ccccn2)c(Cl)c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962368665 BMMJEEWLCHAGRG-OAQYLSRUSA-N 423.973 4.777 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(C)nn(-c2ccc(F)cc2)c1Cl 963067142 NRAUATYVOFLRCS-QFIPXVFZSA-N 422.891 4.765 0 1 HJAF COc1ccccc1CNCCCCCOC(=O)Nc1cc(Cl)nc(Cl)c1 1857746627 NXDHXDOGBRDRPD-UHFFFAOYSA-N 412.317 4.906 0 1 HJAF COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2cn(C)c3ccccc23)cn1 1857768844 SLTMAQJVXBGOLJ-HSZRJFAPSA-N 410.477 4.573 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC[C@]4(O)C[C@H](O)CC[C@@]54C)[C@H]3CN2C1 2356472618 CWNLEIMHIBMIJB-XMJUBTKUSA-N 415.662 4.707 0 1 HJAF C[C@@H]1Oc2c3c(c(C(=CC(=O)O)c4ccccc4)c(O)c2C(=O)[C@H]1C)OC(C)(C)C=C3 2356535293 SSJOJPHKKKSPGS-KBPBESRZSA-N 420.461 4.692 0 1 HJAF COc1ccc([C@@H]2CC[C@H](OCCCn3c(C)nc4cnccc43)O2)cc1Cl 11687442 DZJWQOQLLYRSPY-PZJWPPBQSA-N 401.894 4.686 0 1 HJAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21 13650701 XJCLVUFSVBCYLV-UHFFFAOYSA-N 408.454 4.888 0 1 HJAF COc1ccc(CCN2CCN(c3ccccc3)CC2)cc1OCCc1ccccc1 13795782 IIYBUMVBOAURQO-UHFFFAOYSA-N 416.565 4.681 0 1 HJAF CC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c3c(c12)OC(C)(C)C=C3 14586142 PDBRSWMFWMQYGK-HNNXBMFYSA-N 414.454 4.536 0 1 HJAF biogenic CC(=O)O[C@@H](CO)COC(=O)[C@@H]1C(C)=CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 34537850 WYTVDHJDWVCVFI-DXBALXSTSA-N 420.590 4.669 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 34801453 HNCAMNUTTBOMFY-JZVUSVNDSA-N 402.623 4.725 0 1 HJAF O=C(/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(NC(=O)c2ccccc2)cc1 40848289 CKRYKYFEZJGZHQ-REZHQCRGSA-N 412.445 4.876 0 1 HJAF O=C1CS[C@@H](c2c(Br)cccc2Br)N1Cc1ccco1 40917897 BZSOEPFGNMAPFZ-AWEZNQCLSA-N 417.122 4.579 0 1 HJAF CC[C@@H](C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1 72125760 KQJPQVAOMPTZKE-MRXNPFEDSA-N 423.463 4.906 0 1 HJAF CCCc1c(C)c2ccc(OCc3ccccc3/C(=C\OC)C(=O)OC)cc2oc1=O 103178502 VCYKUHOAIZMHKW-PXLXIMEGSA-N 422.477 4.793 0 1 HJAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1F 103184297 OQQGSOQWGPOVAT-UHFFFAOYSA-N 421.394 4.863 0 1 HJAF O=C1N[C@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@H]2O1 114351822 BXKXPJPYACCXTA-XZOQPEGZSA-N 418.924 4.666 0 1 HJAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccc(OC)cc3)cc21 169309915 STPRJGIWQVNMMS-UHFFFAOYSA-N 418.518 4.757 0 1 HJAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(-c3cccnc3)c1C(C)C)CC2 169702228 IJAMEDUAYXEPJW-UHFFFAOYSA-N 412.497 4.699 0 1 HJAF C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3ccncc3)nc2n1 169704083 BQJCIWPXUFAVBN-QGZVFWFLSA-N 412.497 4.620 0 1 HJAF COCc1cccc(-c2ccc3c(c2)[C@]2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1 169708735 OJULZIHGKOEUGD-TXDAUAKNSA-N 417.553 4.616 0 1 HJAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 238756619 ZLLJYAHSJDPPOJ-CKIBMAIQSA-N 424.493 4.716 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C 238775494 CSSGXDLJYUSHNP-MTRMNIFUSA-N 416.558 4.748 0 1 HJAF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CO)CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1[C@@H](O)CC[C@H](O)[C@H]13 473249328 UPDYINKCBFIYHT-PIVZRKJGSA-N 402.619 4.552 0 1 HJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(I)c2[nH]1 587026787 IQAWVKCQRKMRAJ-UHFFFAOYSA-N 421.263 4.783 0 1 HJAF COc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587335052 VJOQTAPQZWFCSV-KNQAVFIVSA-N 413.832 4.863 0 1 HJAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350517 GVQKTAUADKVMDX-GBXCKJPGSA-N 422.408 4.722 0 1 HJAF C[C@@]1(c2cccc3sc(N)nc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375162 RKENTKHSOIQDSS-CVDCTZTESA-N 420.465 4.998 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(OC(F)(F)F)c1)O2 587384294 ZSUFLOKTXOXETN-HNNXBMFYSA-N 416.193 4.945 0 1 HJAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587411565 DSHSJUNVHAMBTN-VLIAUNLRSA-N 403.272 4.735 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(CC(=O)O)c1)CC2=O 587478859 CAOBWSFVXHRBRB-SANMLTNESA-N 416.473 4.881 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Br 587542529 YOGZZGYVKPEAQB-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CN2CCCC2)cs1 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COc1c(Cc2ccccc2)cc(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 587945651 GYZQVZXTDWFSTQ-UHFFFAOYSA-N 408.517 4.844 0 1 HJAF Fc1ccc([C@]2(c3ncco3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1F 962715012 SGXSSNJXASAXFG-OYHNWAKOSA-N 416.468 4.747 0 1 HJAF Cc1cccc(CC[C@@]2(C3CCC3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963226232 KVWMLIWXNGUUSA-AHWVRZQESA-N 400.522 4.770 0 1 HJAF COc1cc(-c2cn(CNc3cccc4ccccc34)nn2)ccc1-n1cnc(C)c1 1772643586 KEUUQQUBFZBKTF-UHFFFAOYSA-N 410.481 4.671 0 1 HJAF COc1ccccc1-c1coc2cc3oc(=O)c(-c4nsc(=O)o4)c(C)c3cc12 1857571349 ZEYIRBYPPVSCLY-UHFFFAOYSA-N 407.403 4.600 0 1 HJAF O=C(O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 1857637773 AXUNBKOEFUEUBQ-CQSZACIVSA-N 406.187 4.958 0 1 HJAF C=CC1=CO[C@]23C[C@@H](OC(C)=O)[C@H]1[C@]2(C)CC[C@H]1[C@H]3CC[C@H]2C[C@@H](O)CC[C@@]21C 2356536224 HEVBJYCZSNXYKU-MBLBFXPISA-N 400.559 4.771 0 1 HJAF COc1ccc(OC)c(NC(=O)Nc2nc([C@@H](N)c3ccccc3Cl)cs2)c1 61905796 AKTZEIXHIBCVKZ-KRWDZBQOSA-N 418.906 4.506 0 3 HJAF c1cncc(Cc2ccc3c(c2)CN2CN3Cc3cc(Cc4cccnc4)ccc32)c1 13600172 HKPGMDPRVGQPOE-UHFFFAOYSA-N 404.517 4.956 0 1 HJAF COc1ccc(/C=C/C(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 27981043 DRQRTGMHXVHIHC-FMIVXFBMSA-N 414.413 4.793 0 1 HJAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)c1cccc(C(F)(F)F)c1 29398095 BUAJWRNWBMLUCH-ZWKOTPCHSA-N 415.452 4.545 0 1 HJAF c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)ccc34)ccnc2c1 40891551 HMVOWZJWAKWRRX-UHFFFAOYSA-N 405.505 4.626 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 73224489 YJVGDVPBEKGCSK-UHFFFAOYSA-N 409.501 4.573 0 1 HJAF O=C(N[C@@H](CO)CSCc1ccccc1)c1coc(-c2ccc3ccccc3c2)n1 82084528 LEZMPMDVJCFAKV-NRFANRHFSA-N 418.518 4.519 0 1 HJAF Fc1cccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)c1 82179567 OYTBYAOYSDVLRC-SFHVURJKSA-N 423.517 4.528 0 1 HJAF CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1 84614903 KERDGDWAWDJKKK-UHFFFAOYSA-N 424.545 4.514 0 1 HJAF CCOC(=O)c1cn(CC)c2cc(F)c(O[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2c1=O 169294330 UDJIVBMJRVKZIM-WJDFUICOSA-N 415.505 4.931 0 1 HJAF C[C@@H]1c2ncn(-c3ccccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 218426030 OGZKVSNRBCPRRL-GFCCVEGCSA-N 420.822 4.699 0 1 HJAF Cc1ccc(-n2nc(-c3ccccc3)cc2Cn2cnc3c(Cl)ncnc32)cc1 220920532 FZWHEJOXQNKPNV-UHFFFAOYSA-N 400.873 4.689 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@]53C)[C@@H]1CCC2=O 253851726 KGFRQVJXQKRIGD-JJBARKDQSA-N 402.538 4.733 0 1 HJAF CCN(CC)C(=O)Cc1c(-c2ccc(OC3CCCC3)cc2)nn2c(C)cc(C)nc12 299867016 XGMAIANLNDEVRJ-UHFFFAOYSA-N 420.557 4.745 0 1 HJAF O=C(O)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1F 587001040 KNXCKRWKVYVJHF-UHFFFAOYSA-N 415.218 4.895 0 1 HJAF Brc1c(OCc2nc3cc4c(cc3[nH]2)OCCO4)ccc2ccccc12 587002006 RHUOSGXVAJLJAD-UHFFFAOYSA-N 411.255 4.829 0 1 HJAF CCc1cc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1Cl 587052947 VEMIVEVNOPLVSE-UHFFFAOYSA-N 409.667 4.818 0 1 HJAF Cc1nn(CCC(=O)O)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098714 TXMXKLZXWFTWGN-UHFFFAOYSA-N 411.461 4.710 0 1 HJAF Nc1ccc(N2CCC(O)CC2)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105140 QAAUIIUZBQQYBD-UHFFFAOYSA-N 421.500 4.657 0 1 HJAF O=C1CC=C(c2nc3ccc(SC(F)(F)F)cc3[nH]2)NN1Cc1ccc(F)cc1 587163762 OGGUYSXYHROXRH-UHFFFAOYSA-N 422.407 4.592 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587258288 FJJMSOKCBBLIQC-HNNXBMFYSA-N 414.296 4.837 0 1 HJAF Cc1noc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587347629 PFSACVKYCNFSEX-NKTGRTDOSA-N 408.429 4.678 0 1 HJAF COCc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC 587352637 PJXQNNVEOCEAJM-UKILVPOCSA-N 422.452 4.961 0 1 HJAF COC(=O)/C(=C/N(C)C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587360290 NWBDELHONPJFOS-XMHGGMMESA-N 402.450 4.732 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Cl)c2)c1 587546795 KSUYAQSEVORVJM-REWPJTCUSA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(C(F)(F)F)c1 587549867 SEPOXBLUJAVPJG-XLIONFOSSA-N 402.324 4.820 0 1 HJAF CC(=O)Oc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587602474 YAGXXVLYBIABCV-GBXCKJPGSA-N 404.418 4.637 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 587652156 XHOVEVYTJLOFTP-UHFFFAOYSA-N 420.753 4.654 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]2(c3cccc(F)c3)CCOC2)N1 587729544 HIABMWQQMZTROV-CFGAKRJMSA-N 408.286 4.661 0 1 HJAF Cc1ccc2[nH]c(C(=O)O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587795467 XKUYZHNDBNHBJW-MLCYQJTMSA-N 417.278 4.700 0 1 HJAF COc1cccc(-c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)on2)c1 587799482 ZOCORFBUQQBKHF-GIPWTMENSA-N 417.278 4.875 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807171 JYJKKVSMHDTAHU-XUSGNXJCSA-N 420.322 4.720 0 1 HJAF CNC(=O)c1ccc(Oc2cccc(NC(=S)Nc3ccc(C)c(C)c3)c2)nc1 653794108 PDWCKZXYVOYINP-UHFFFAOYSA-N 406.511 4.659 0 1 HJAF COC(=O)c1ccc(COc2ccc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN43)cc2)o1 963097964 OLODOHQNQBKRCB-NTKDMRAZSA-N 421.468 4.894 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C(=O)O)o1)c1cccnc1Cl 963223709 CZRCCLYSPYWFTG-WNSKOXEYSA-N 410.901 4.975 0 1 HJAF CN1CCC[C@H]1CCO[C@@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772634926 FLCRYTPTFPDXRU-LHSJRXKWSA-N 413.905 4.505 0 1 HJAF O=C(OCc1cccc(Cn2cnc3ccccc32)c1)c1cc(Br)c[nH]1 1857583225 KAEMJXYUXPBTMK-UHFFFAOYSA-N 410.271 4.532 0 1 HJAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5cccc(Br)c5)[nH]c4c3)nc12 1857631766 YJWRJZCSMZQKDF-UHFFFAOYSA-N 419.286 4.714 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@H](OC(C)=O)C[C@@H](C)[C@@]12C 2356545416 JKBLJUFERPGEOU-WSBSQHQDSA-N 402.487 4.709 0 1 HJAF C[C@@H]1[C@H]2[C@H](O)C[C@@H](C)CN2[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356588592 ATEWGTOGFJMCPH-YPSOTDPFSA-N 415.662 4.706 0 1 HJAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1OC2=C(c3ccccc3N(O)[C@@H]2C)[C@@H]1O 2356810033 AUYTZCXTQMUNJC-HMMLOCITSA-N 413.558 4.979 0 1 HJAF C[C@H](O)C[C@H](O)C[C@H]1CCCCCCCCCCCCCC[C@@H](O)C=CC(=O)O1 2356866495 WFHNHKIPMIIXND-GSPCLOLRSA-N 412.611 4.812 0 1 HJAF COC(=O)[C@H]1SC(N(C)c2ccccc2)=NC12c1ccccc1Nc1ccccc12 1658686 YQHUXXLAOYBHBA-OAQYLSRUSA-N 415.518 4.768 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4043190 MYIGFWZWFWYKBT-CTNGQTDRSA-N 417.912 4.553 0 1 HJAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213240 LTGYIRYKKACOTF-GLYQVZKVSA-N 409.574 4.920 0 1 HJAF CN(c1nnc(NC(=O)Nc2ccc(Br)cc2)s1)C1CCCCC1 6792888 SHVDDAKSDUVVSW-UHFFFAOYSA-N 410.341 4.714 0 1 HJAF CC(C)=CC(=O)O[C@H]1[C@@H](O)C2=C[C@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 13303320 KEENXIBOPJRZDN-ZHMAKZFUSA-N 404.591 4.795 0 1 HJAF CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCO)c1CCC 13672372 JFFLSWVXJMUUFT-UHFFFAOYSA-N 415.555 4.696 0 1 HJAF Fc1ccc(C[C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767808 LUVXYVCJJHKMGL-FXAWDEMLSA-N 407.272 4.840 0 1 HJAF C[C@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088073 KGFRQVJXQKRIGD-BUIQJFRMSA-N 402.538 4.733 0 1 HJAF CC(C)N(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1 38334637 GVLPJHAOLSTQRA-JPYJTQIMSA-N 423.557 4.844 0 1 HJAF O=C(Cc1ccc2c(c1)OCO2)Nc1cccc(COc2cccc3scnc23)c1 64528426 JXFOQPXREAGXMT-UHFFFAOYSA-N 418.474 4.785 0 1 HJAF COc1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 73225072 DFIIRLCESYNSLK-UHFFFAOYSA-N 422.444 4.856 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc(C)c2)C1 82145612 HMSHOIISBHXGIN-RBUKOAKNSA-N 410.562 4.551 0 1 HJAF O=C(O)c1ccccc1Nc1cc(I)cc(C(F)(F)F)c1 103285751 NALHBPHLCISSGR-UHFFFAOYSA-N 407.129 4.752 0 1 HJAF CN(c1nc(C(C)(C)C)cs1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118884188 KOMGKPCQMFSOBS-AWEZNQCLSA-N 415.534 4.613 0 1 HJAF Cn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2ccccc21 169045120 HZXVWJIMVWUESM-UHFFFAOYSA-N 413.477 4.886 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C/CC/C(C)=C\[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 169363957 SVAFVUMQBHODCP-DEXQWTFRSA-N 404.547 4.816 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]2CC[C@H](C3)[C@@]12CO2 238737464 PCABRNORLWDGEA-RVOYGIDFSA-N 402.575 4.647 0 1 HJAF CO[P@@](=O)(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 473083464 BSUSXSDHXRLHKS-LJAQVGFWSA-N 404.450 4.539 0 1 HJAF Cc1c(Cl)ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586934788 AYECMWRHVJJTFK-INIZCTEOSA-N 412.342 4.854 0 1 HJAF Cc1cc(Br)ccc1OCc1nc2ccc(Br)c(O)c2[nH]1 586980737 FMNRFEBRYDAMBR-UHFFFAOYSA-N 412.081 4.681 0 1 HJAF Nc1cc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c2cc1N 587030214 ABSMZCAQDHGHCZ-UHFFFAOYSA-N 423.929 4.850 0 1 HJAF COC(=O)c1cc2nc(C(F)(F)c3ccccn3)[nH]c2c(F)c1Nc1ccccc1 587090759 XGGDGIKNDMUWNF-UHFFFAOYSA-N 412.371 4.767 0 1 HJAF Fc1cccc([C@H]2C[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1 587161445 OEXUIBDXOAXFQB-NXEZZACHSA-N 413.621 4.626 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O 587426124 LKOSSVFTPSMQOF-MBSDFSHPSA-N 404.393 4.688 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cc(C=O)n(C)c1)CC2=O 587467145 OHWKIZUPHKVNIJ-XMMPIXPASA-N 407.441 4.544 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC(C)C)cc1)CC2=O 587483650 LIDMQUTVTRTMQT-XMMPIXPASA-N 412.482 4.556 0 1 HJAF CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527689 VLLLTXHWCORNAP-RUZDIDTESA-N 403.478 4.861 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587579829 QRTHRFDLEABUMV-WIOPSUGQSA-N 417.461 4.758 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(C(F)(F)F)n1 587656008 SGGOXKQHLBIJSJ-UHFFFAOYSA-N 403.310 4.745 0 1 HJAF COc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587659172 YTIVBMIPKNAULM-UHFFFAOYSA-N 423.444 4.595 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccccc2F)N1 587727281 NGYLKKZPOPDUKW-MLCYQJTMSA-N 404.258 4.741 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2)N1 587729788 DKRDYGYZIHPXOC-YEJXKQKISA-N 415.281 4.948 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2F)N1 587732475 MNRFJZIGPBDWJX-ZIDLFYJRSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(C)(C)C)cc12 587795242 NUJWAYSNULZXKD-MQJDWESPSA-N 417.322 4.616 0 1 HJAF COc1ccc(OC)c2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587806729 ISOKEUBDKKGTIZ-GTJPDFRWSA-N 420.322 4.720 0 1 HJAF O=C(Nc1ccccn1)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 653761887 DMCLDHHFXNQIAP-UHFFFAOYSA-N 418.407 4.889 0 1 HJAF CC(=O)O[C@H]1C(C(C)C)=CC=C(C)C[C@H](O)C=C(C)CCC=C(C)[C@H]1OC(C)=O 2356646906 SVAFVUMQBHODCP-JRFVFWCSSA-N 404.547 4.816 0 1 HJAF CCCCCCNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(O)cc1 205703980 UEBYHDKFFXEPKH-UHFFFAOYSA-N 405.498 4.511 0 3 HJAF O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 26381091 GUMXVOWULZDTHA-UHFFFAOYSA-N 400.346 4.808 0 1 HJAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3cc(-c4nnn[nH]4)oc23)cc1 27998077 QANDNBARFAVZPJ-BUHFOSPRSA-N 401.470 4.998 0 1 HJAF O=C(NC[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1)c1ccc(OC(F)(F)F)cc1 28571293 ONHOBQYHAZQYBX-TYPHKJRUSA-N 421.459 4.725 0 1 HJAF CCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCC2CCCCC2)cs1 82069265 CYNSTVYMOBXRQS-LJQANCHMSA-N 414.571 4.560 0 1 HJAF Fc1ccccc1CCNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H]1CCCO1 82180785 WDLHGGLEMNBYHK-IBGZPJMESA-N 423.536 4.847 0 1 HJAF CNC(=O)c1ccccc1Nc1c(C(F)(F)F)cnc2[nH]c(-c3cccnc3)cc12 95597959 NGVBWWVRVRKHQO-UHFFFAOYSA-N 411.387 4.747 0 1 HJAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(C4CCOCC4)ccc3C[C@@H]21 100621292 CCVFCQWLWIEWAF-RDGATRHJSA-N 400.522 4.784 0 1 HJAF Cc1nc2ccc(N[C@H]3CC[C@H](O)CC3)cc2n2c(-c3ccccc3Cl)nnc12 101656120 KNIOZKBZHBPMPJ-FZNQNYSPSA-N 407.905 4.622 0 1 HJAF OC1=C2C(=Nc3nc(-c4ccco4)nn3[C@H]2c2ccc(Br)cc2)CCC1 103665784 AYQGTVCJGLCBLE-KRWDZBQOSA-N 411.259 4.972 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(OC(F)(F)F)c1 166703648 SHLTXVFUCTYPIT-CJNGLKHVSA-N 409.404 4.712 0 1 HJAF COc1cc(Nc2cncc(Oc3ccc([C@@H](C)N=O)cc3)n2)cc(OC)c1OC 169686082 DMPWTEJCEUYONL-CYBMUJFWSA-N 410.430 4.866 0 1 HJAF O=C(Nc1cc(C2CC2)on1)n1ccc2cc(Oc3ncnc4c3CSC4)ccc21 201324176 DZAFHPMCOMLULI-UHFFFAOYSA-N 419.466 4.916 0 1 HJAF C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 253656819 ZNSKOGGQUHKREZ-BLHXGTNJSA-N 402.560 4.525 0 1 HJAF C[C@H]1CC[C@@H]([C@@H](C)[C@@]2(C)C3=CC[C@@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]3C[C@@H]2O)NC1 255206761 DMLNDBOUFBIGIL-VNJUDDQKSA-N 413.646 4.841 0 1 HJAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586913648 RLHAVXXCCOMADQ-AUUYWEPGSA-N 419.934 4.690 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586974903 XRENVUPVWTYELF-KRWDZBQOSA-N 411.424 4.831 0 1 HJAF CS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975953 HIMXHLMYODULQQ-UHFFFAOYSA-N 420.115 4.703 0 1 HJAF Brc1ccnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 587018396 YPXNHWNDXWHBGN-UHFFFAOYSA-N 423.299 5.136 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1 587018947 CZQMSDGQLHOULB-UHFFFAOYSA-N 400.291 4.659 0 1 HJAF CCOc1n[nH]c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1Cl 587064561 CNNKHPXMSSMING-UHFFFAOYSA-N 420.492 4.530 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587331719 FHBGENHUVBCXOO-UKILVPOCSA-N 419.452 4.986 0 1 HJAF C/C(=C/[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587370106 BTDTVRYPQIESCE-SZRHCGQDSA-N 415.331 4.666 0 1 HJAF COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587394257 RYGGNDIGLJCFPA-NRFANRHFSA-N 413.477 4.915 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O 587420095 ICPVOOGJSONKTD-YVEFUNNKSA-N 413.189 4.965 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557235 QVDVOAMZJZARJJ-YLJYHZDGSA-N 401.340 4.817 0 1 HJAF CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 587587430 MVNPSUBEVNGOCP-XXBNENTESA-N 400.434 4.866 0 1 HJAF C[C@H](Oc1ccc(F)cc1F)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658669 RYXXWAMMVMTGRQ-ZDUSSCGKSA-N 424.378 4.589 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1 587709656 CAFCWGAREFTRAH-ZKANADHPSA-N 404.201 4.936 0 1 HJAF Cc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743720 PLEJNYCCDOOERT-RBZFPXEDSA-N 405.311 4.675 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1 587836088 RPROIRPESJIFNY-YEJXKQKISA-N 420.322 4.742 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@H]1C 587869233 DOAHYXQDLYPVMY-OUCADQQQSA-N 412.481 4.520 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(F)c(F)c1Br 963259670 SKZZKSWBRXQPSR-QGZVFWFLSA-N 402.666 4.799 0 1 HJAF CC1=C(CCC(=CC[C@H](O)C2=CC(=O)OC2)CO)[C@]2(C)CCCC(C)(C)[C@@H]2CC1 2356543408 QNKXTVCLBCSBNT-HWBMXIPRSA-N 402.575 4.862 0 1 HJAF Cc1cc(-n2c(SCc3ccccc3F)nc3[nH]ncc3c2=O)ccc1Cl 5156378 PPNVYLBSPDHCSH-UHFFFAOYSA-N 400.866 4.502 0 1 HJAF aggregator Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CC3CCN(C)CC3)c2n1 7991849 AKVAYBUBTZSOEZ-UHFFFAOYSA-N 418.589 4.888 0 1 HJAF CCCCOC(=O)c1c(N2CCN(C)CC2)nc2ccccc2c1-c1ccccc1 13797122 ZYSPORNILYKUOB-UHFFFAOYSA-N 403.526 4.611 0 1 HJAF CCCn1c(=O)c2[nH]c(C(C3CCCCC3)C3CCCCC3)nc2n(CCC)c1=O 13861097 BTAKKRMEEVEZAS-UHFFFAOYSA-N 414.594 4.951 0 1 HJAF Clc1ccc([C@@]2(Cn3cncn3)OCO[C@@H]2c2ccc(Cl)cc2Cl)cc1 26008939 UAURYESUYYJWMA-QZTJIDSGSA-N 410.688 4.879 0 1 HJAF CCCCc1cn(C[C@H]2CN(c3ccc4c(c3)Oc3ccccc3O4)C(=O)O2)nn1 29131077 HLMHMTVNKZMNSJ-KRWDZBQOSA-N 406.442 4.544 0 1 HJAF CC(C)Cc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1 29557215 YCNPVAWPPYPZLG-WOJGMQOQSA-N 424.522 4.600 0 1 HJAF COc1cc([C@H]2SCC(=O)N2CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 40393213 CUXXKHVDTJIOJR-ACBHSLRGSA-N 417.571 4.503 0 1 HJAF Cn1cc(CN2CCC[C@@H](COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cn1 45193793 HGOVRFKKNGWZRJ-GOSISDBHSA-N 411.496 4.717 0 1 HJAF O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)Nc1ccc(C(F)(F)F)cc1 49049948 UYEAQWCPUKNRBT-UHFFFAOYSA-N 400.360 4.997 0 1 HJAF CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82186017 CHEKHEIORMOHNL-FQEVSTJZSA-N 424.568 4.965 0 1 HJAF CCC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O 95561945 UVPAFACFFSFLHN-QGZVFWFLSA-N 415.342 4.567 0 1 HJAF CCC/C=C\CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 96914327 LDBPDNDFCXVQGQ-XFHJGTJQSA-N 423.332 4.738 0 1 HJAF CCOc1cc(CO)c(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)cc1OC 167105409 ZZRMHGGTXKBZSC-UHFFFAOYSA-N 414.465 4.673 0 1 HJAF C[C@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@@H](C)N5)cc4)s3)cc2)N1 196190949 FYWYWTFGPALOTO-IYBDPMFKSA-N 400.551 4.559 0 1 HJAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586913649 RLHAVXXCCOMADQ-IFXJQAMLSA-N 419.934 4.690 0 1 HJAF CC(C)(C)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2n1 587019762 VVDIJIJTIZSLSS-UHFFFAOYSA-N 406.515 4.947 0 1 HJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587117540 UCELOTLPOPHNJD-UHFFFAOYSA-N 404.779 4.867 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)c(F)cc4[nH]3)c(F)c2)c1 587147300 LHXGNTOEOUQIET-UHFFFAOYSA-N 410.376 4.891 0 1 HJAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587350635 KWNRBMZLHPHCOK-ISKFKSNPSA-N 408.425 4.823 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(C1CCOCC1)O2 587378220 SSTGWYQZLXGJAS-NRFANRHFSA-N 416.315 4.627 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1OC(F)(F)F)O2 587382807 OPYCTXRNSWDULO-CQSZACIVSA-N 416.193 4.945 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1C(=O)OC)CC2=O 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HJAF O=C1N(CC2CC2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1 6579611 DXCWLVDKAIRNLW-TWJOJJKGSA-N 418.581 4.518 0 1 HJAF CCO[C@@H](Cc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1)C(=O)O 12358220 KASBLUIPHVTDNF-DEOSSOPVSA-N 405.494 4.936 0 1 HJAF CCN(CC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br 13794827 LRRZXSQPMGQMNI-UHFFFAOYSA-N 402.340 4.856 0 1 HJAF O=C(CSc1nc2ccccc2s1)NC[C@H]1CCCN(CC2CCCCC2)C1 28231211 DSBULHATUKJWAF-GOSISDBHSA-N 417.644 4.797 0 1 HJAF Oc1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCCCC4)ccc32)cc1 28885994 SVIAKBGHBKXSEH-IZZNHLLZSA-N 406.570 4.929 0 1 HJAF Cc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189151 UGSQUXYEAXCLHB-ZDLPBCNCSA-N 406.570 4.847 0 1 HJAF COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)ccc1OC1CCCCCCC1 49033721 IGOAKQWSQQOWJT-JQIJEIRASA-N 422.525 4.938 0 1 HJAF CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 65098052 BKEIXLIMLQUGGM-MRXNPFEDSA-N 421.519 4.557 0 1 HJAF COc1cc(-c2cnc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-n1cnc(C)c1 72176448 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O=C(Cc1ccc(C(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 587276218 KEKFTCJWDPSSSD-UHFFFAOYSA-N 414.177 4.527 0 1 HJAF COc1cccc(-c2cc(CC(=O)Nc3cc(C)on3)nc3c2oc2ccccc23)c1 587362334 HMVUYVIQIPGISY-UHFFFAOYSA-N 413.433 5.134 0 1 HJAF CN(C)Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587378095 UJNUVFODZCIMLO-GGAORHGYSA-N 411.498 4.929 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587450032 LUHRXQVNCJVPCX-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)cc1)CC2=O 587461519 KNKDUSQNMUAPOP-JOCHJYFZSA-N 402.874 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 587474058 CMJMDVCNPIRBQN-WBPRFABPSA-N 403.519 4.714 0 1 HJAF CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)c1 587505728 IJOJZZZRKWNIAG-LJQANCHMSA-N 424.440 4.694 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cnccn1 587585488 DISXXOOUSUJSRZ-ZJSXRUAMSA-N 412.401 4.677 0 1 HJAF COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593762 DVZQREDOPOMFEC-XUZZJYLKSA-N 406.434 4.510 0 1 HJAF CC[C@]1(Cc2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595833 UDOVVRYXHAECBD-RCZVLFRGSA-N 420.461 4.763 0 1 HJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 587614556 CMFHQSKIFGWZMN-GBXCKJPGSA-N 404.418 4.516 0 1 HJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587617880 LQJJPJWOKSCLCY-SIKLNZKXSA-N 418.474 4.959 0 1 HJAF O=C(Cc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587653875 NAWJVGFFSAVCFC-UHFFFAOYSA-N 410.807 4.878 0 1 HJAF O=C(c1csc2c1CCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657252 SLKYANBUAZRZDM-UHFFFAOYSA-N 422.456 4.971 0 1 HJAF CCCOc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660614 QPBVSGYDLUQMDT-UHFFFAOYSA-N 402.425 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(O)c(Cl)cc32)N1 587694008 FWGXFSVABHROGM-YYSFKGJASA-N 412.686 4.508 0 1 HJAF CC(C)n1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587709968 PMBRYMDBHCSSAC-MGPLVRAMSA-N 420.248 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnc(C(F)(F)F)c2)N1 587723728 XLDFNCXJGRELIM-FVMDXXJSSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1 587752101 BRFKHFNEFYDOTB-RNODOKPDSA-N 400.295 4.572 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C 587758499 QFWVFDVANVUDCT-GTJPDFRWSA-N 414.322 4.921 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587805321 TUJDDLVMROHUKG-WSVYEEACSA-N 414.322 4.766 0 1 HJAF CC(=O)Oc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587808464 GUXMVBKVMNVWTH-FKIZINRSSA-N 406.295 4.754 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C)c2ccccc12 587867157 WJXWXAVUVWJOBV-UHFFFAOYSA-N 413.399 4.809 0 1 HJAF COc1ccc(-c2cccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2C)c(OC)c1 587929257 LPFAKVUWTWDIFM-UHFFFAOYSA-N 422.506 4.626 0 1 HJAF Cc1cc(C(F)(F)F)c2cc(-c3cn4nc(Br)sc4n3)oc2n1 653676831 PETYJFLMIAQLJE-UHFFFAOYSA-N 403.183 4.689 0 1 HJAF COC(=O)[C@@]1(c2c[nH]c3cc(F)ccc23)NCCc2cccc(-c3ccccc3)c21 962661470 CNPPZRDLTOWSJW-VWLOTQADSA-N 400.453 4.536 0 1 HJAF O[C@@H](CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 1772652424 OXMXFLBOVMILOO-SXOMAYOGSA-N 400.566 4.539 0 1 HJAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(O)cc(C)c(C=O)c2O3)C1(C)C 2356334301 DBXHPZZOVLNOBW-YJKSRPNZSA-N 414.542 4.991 0 1 HJAF O=C(Cn1ccc2ccc(Cl)cc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 2356449198 DXKYBSAAJYNLCU-VCWGXOKSSA-N 423.988 4.716 0 1 HJAF CO[C@@H](C=C[C@@H]1CCC(=O)O1)CCCCCC=C(Br)Br 2356635175 VKOGIGKSQGLZNY-CHWSQXEVSA-N 410.146 4.845 0 1 HJAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@]3(C)CCC[C@@]4(CCC[C@@H]14)N3C2 2356808254 YPIJXCVPEFMAJE-WXJRWHARSA-N 419.993 4.723 0 1 HJAF O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205708023 IRQLLYMAKBSQLN-JNAXZKDPSA-N 410.436 4.968 0 3 HJAF O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NCc3ccccc3)CC[C@]23CCCN13 206040993 DAJYIUNYFXGQPF-DPRQWMOBSA-N 402.582 4.959 0 3 HJAF C[C@]12C[C@H](/C=C/I)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13651930 BLGSUUFKFHIHOU-YUQUTFGDSA-N 424.322 4.784 0 1 HJAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)c(Br)c1OC 13756933 YYSJYFVNZQEQDG-QGZVFWFLSA-N 415.331 4.686 0 1 HJAF Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(-c3ccccc3)cc2)o1 28571502 QZAKYVQBEWOWAU-UHFFFAOYSA-N 423.480 4.888 0 1 HJAF COc1ccc([C@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2C)cc1 34610027 ZBCRNIFALVNVKY-QAPCUYQASA-N 420.475 4.585 0 1 HJAF in-vivo COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(N)c2cc1OC 82131478 FYVAHCFUHIHZBP-UHFFFAOYSA-N 414.509 4.863 0 1 HJAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2c(C)cc(C)cc2s1 84652333 HVXGIBCZPVLEDS-UHFFFAOYSA-N 414.328 4.937 0 1 HJAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)Nc1ccccc1 96170291 SYAPFIQRJYCKQP-UHFFFAOYSA-N 403.869 4.966 0 1 HJAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 104700498 DSBZIDWHQCJWBA-JOCHJYFZSA-N 422.525 4.872 0 1 HJAF CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 115825858 NAQHJYUFGGYLEP-IRLDBZIGSA-N 411.498 4.573 0 1 HJAF Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2 142575667 FLYXKMPTLQKZJQ-UHFFFAOYSA-N 410.348 4.971 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 299880035 LQKVZUIWEOGLPX-ZRGWGRIASA-N 411.506 4.571 0 1 HJAF O=C(O)c1ccc(-c2nc(C(=O)c3c(F)cccc3Cl)n3c2CCCC3)c(F)c1 473082977 LYQOYBQJYMWTBG-UHFFFAOYSA-N 416.811 4.747 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c(C)ccc(C)c3[nH]1)C(=O)OC2 586915002 FBYQUNVPXCQAIC-AWNIVKPZSA-N 420.509 4.994 0 1 HJAF Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1C 586954890 JPZKVPUQDDMBBB-UHFFFAOYSA-N 411.571 4.871 0 1 HJAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)cc3[nH]2)C[C@@H](C)O1 586969289 VNQOWWDEFUTZMM-ZIAGYGMSSA-N 423.517 4.551 0 1 HJAF O=C(O)c1c(F)ccc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985986 JAAZRFHFNMIQBN-UHFFFAOYSA-N 403.340 4.795 0 1 HJAF Cc1ccc2c(ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c32)n1 587003441 VEESGVLDBHLBTG-UHFFFAOYSA-N 406.287 4.774 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 587028164 WGZQNQGAKHDWLO-COXVUDFISA-N 400.935 4.748 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 587028716 ZNWAVLUDWWXDRR-COXVUDFISA-N 400.935 4.748 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1 587192505 UWYIBZHABNTNBD-OAHLLOKOSA-N 417.307 4.677 0 1 HJAF O=NCC1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587334543 IIMKGBHQGWBIKT-LADGPHEKSA-N 417.392 4.828 0 1 HJAF CCCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352301 WVNOSFDWDSWTRZ-GGAORHGYSA-N 400.446 4.772 0 1 HJAF C/C(=C/[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C 587370107 BTDTVRYPQIESCE-YXAHYSCSSA-N 415.331 4.666 0 1 HJAF O=C(O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377059 QJWGSDFMTKRSOP-IFMALSPDSA-N 412.438 4.712 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(C)C)C1)O2 587394879 JUYXBKLRDAVNBV-SQJMNOBHSA-N 422.525 4.738 0 1 HJAF 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Cc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1C(F)(F)F 587713790 NXVAGTCVINQEOU-PWCHPLFNSA-N 409.246 4.996 0 1 HJAF COc1ccc(Cc2nc3c(o2)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1 653709025 LGACBXRBHHAKSE-UHFFFAOYSA-N 410.473 4.974 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21COCc2cccc(Cl)c21 962952663 IGHKJERTAHCIGP-OAQYLSRUSA-N 423.862 4.784 0 1 HJAF COc1ccc(C2=COc3cc(O)ccc3[C@]23NCCc2c3sc(C)c2C)cc1 963021611 JWRITVADOUYQGT-DEOSSOPVSA-N 405.519 4.902 0 1 HJAF Cc1sc2c(c1C)CCN[C@@]2(C(=O)N(C)c1ccccc1)c1c[nH]c2ccccc12 963034252 YIZASPWVQARLHD-VWLOTQADSA-N 415.562 4.899 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(c1cccc(F)c1)c1ccccc1F 963046516 JZQAZKJZMNIPFB-RUZDIDTESA-N 402.444 4.959 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccs1)c1oc2ccccc2c1N 963637464 SIHVCIWABFZEFI-LFPIHBKWSA-N 420.534 4.920 0 1 HJAF Cc1cccc2c1[C@@H](c1ccc3oncc3c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841355 MCAJONHPLQFSQT-XMSQKQJNSA-N 422.481 4.862 0 1 HJAF COc1cccc(S(=O)(=O)c2cnc3cc(OC)ccc3c2-c2ccc(F)cc2)c1 1772635775 USBXQSHJNBSFEB-UHFFFAOYSA-N 423.465 4.891 0 1 HJAF Cc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)[C@@H]2c1ccccc1 1857544386 DIKZWBAANZCKMW-QGZVFWFLSA-N 420.822 4.504 0 1 HJAF CCCc1nn(C)c2c(NCc3ccccc3OC)nc(/C=C/c3ccco3)nc12 1857594070 JLCQGBGIQQGQGT-OUKQBFOZSA-N 403.486 4.700 0 1 HJAF Cc1ccsc1CN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnnc1 1857750537 NJLAAVOCXAJMDJ-UHFFFAOYSA-N 415.828 4.691 0 1 HJAF FC(F)(F)c1ccc(-c2c[nH]c3ccc(-c4cncc(N5CCNCC5)n4)cc23)cc1 1857751640 JNOYDDQBVMUSBF-UHFFFAOYSA-N 423.442 4.720 0 1 HJAF C[C@H](CCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356345668 XIVYAVYHUZLGIV-ZFVIQDPVSA-N 416.599 4.794 0 1 HJAF CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC[C@H]3CCCO3)c2c1 922181 FYCWFVJWVNMBLH-LJQANCHMSA-N 421.566 4.555 0 3 HJAF COc1ccc(N2C[C@H](Cc3ccccc3)[C@@H](CC(=O)Nc3ccccc3)C2=O)cc1 61923286 MOBZXWIKGQGYKU-GBXCKJPGSA-N 414.505 4.546 0 3 HJAF C[C@H](c1ccccc1)N1CC[C@H]2C=CC[C@@H](C(=O)Nc3ccc(F)c(F)c3)[C@H]2C1=O 205705213 BEHIXSXVUDVAJV-AWGCWCAXSA-N 410.464 4.705 0 3 HJAF COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c2ccccc2)c1 6052331 IPIOFSASIRPEHU-YHKSUCIDSA-N 421.537 4.720 0 1 HJAF Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(-c3ccccc3)cnc2n1 13474474 QSNZOWTXIXJCER-UHFFFAOYSA-N 418.504 4.876 0 1 HJAF COc1ccc(CCN(C)CC(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1OC 13885110 DJJGDYIXCOGEEH-AREMUKBSSA-N 424.585 4.616 0 1 HJAF C[C@H](C(=O)O)c1ccc(Cc2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc12 26580339 IMLMRXHSSZSAAG-ZDUSSCGKSA-N 402.899 4.676 0 1 HJAF CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2C=C[C@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 40662836 BJELSCHUTSHMDO-OVCFKVRTSA-N 414.567 4.628 0 1 HJAF CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)CCC(=O)O 45385570 GXZYKMSZEQFJDJ-UHFFFAOYSA-N 411.479 4.937 0 1 HJAF CCCCCC[C@H](C[C@@H]1OCO[C@H]1CCCCCCCC(=O)OC)OC(C)=O 66252633 YCBXTQVGRHXKBE-HKBOAZHASA-N 400.556 4.924 0 1 HJAF Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 73198909 IZDCSALITLBJNW-LQIWJUJESA-N 410.517 4.525 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2/C=C/CCCCC2)c1=O 169707542 KOAWAGCCRWSOLU-MCNMIKGFSA-N 421.541 4.542 0 1 HJAF COc1ccccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 253635359 FFFBLUYUGVALAT-GGHCMKMRSA-N 422.569 4.547 0 1 HJAF Oc1ccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1 586897428 DYAGSXYHJOXLHF-UHFFFAOYSA-N 409.449 4.662 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)cc1 586931626 ZYCUEXMPDFPTBW-UHFFFAOYSA-N 409.486 4.811 0 1 HJAF COc1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587030198 ASUMIPFOJVYQHF-OXFWXOROSA-N 400.529 4.698 0 1 HJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587040672 QJRLDUIZOVFUKS-NSHDSACASA-N 418.744 4.961 0 1 HJAF N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F 587142542 DUGCVYDURWJDNZ-LBPRGKRZSA-N 418.188 4.606 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2c(Br)ccc(Br)c2[nH]1 587240844 XYFSVRLIQTXTEB-UHFFFAOYSA-N 424.096 4.554 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)O2 587396457 SJWGGYJBAZOMFS-NXMSCROESA-N 408.542 4.640 0 1 HJAF CC1=C(C)C[C@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C(=O)O)C1 587403002 BSJBPIHHBYQYCT-JVFUWBCBSA-N 405.494 4.885 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O 587416688 CBKXHZDHZSIMPV-BUXKBTBVSA-N 421.674 4.537 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587442647 MRCBNLLIPDQGMT-GBXCKJPGSA-N 400.430 4.712 0 1 HJAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 587581498 LOYJIEBJRKTDLG-DHLKQENFSA-N 412.445 4.763 0 1 HJAF CCOC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]c2cc(F)ccc12 587637151 WJKCUIFKNIYHNR-UHFFFAOYSA-N 424.472 5.000 0 1 HJAF CCOc1ccc(-c2nn(-c3ccnc(Cl)c3)c(=O)c3ccccc23)cc1OCC 587669684 VVBIDOLAVQYVBI-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807168 JYJKKVSMHDTAHU-QKVFXAPYSA-N 420.322 4.720 0 1 HJAF COc1cccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587811626 WVHAZLAFKQLMTJ-MPBGBICISA-N 406.295 4.619 0 1 HJAF COc1ccc([C@@H]2C[C@]3(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587828909 AYIILJBCTOGVGN-ZEWGMFERSA-N 420.322 4.878 0 1 HJAF CC(C)(C)Oc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962669872 PLFQHTLTYGPQMF-OFVILXPXSA-N 404.510 4.600 0 1 HJAF CCCOc1ccc([C@@H]2NCCc3c(C)ccnc32)c(OCc2csc(C)n2)c1 963089908 RMHXNAJPQPLANO-QHCPKHFHSA-N 409.555 4.758 0 1 HJAF Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)cc1 1857554481 VQSKIWSCQASJNQ-UHFFFAOYSA-N 405.465 4.517 0 1 HJAF CONC(=O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857629654 ZIZYRBHXTLKPGE-SUAWWAITSA-N 417.590 4.811 0 1 HJAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)c(OC)c1)CC2 1857768812 LAXFIZLXJONRSH-UHFFFAOYSA-N 405.494 4.643 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2C[C@H](OC(C)=O)C(C)=CCC1 2356458292 KOCINJBLZIFNLK-KEZOAJOQSA-N 406.563 4.731 0 1 HJAF CC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356571017 DEMDQMZDGUZBDH-FVIFPRJZSA-N 400.559 4.578 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@H]21)CN(CC(=O)O)C=C3 2356816116 CXTSGZSYYDXXBX-AXWOKOBESA-N 415.574 4.783 0 1 HJAF CCc1ccc(CN(C)C(=O)c2cc(COc3cccc4cnccc34)on2)cc1 12440677 TYCPDKYZBBCGJJ-UHFFFAOYSA-N 401.466 4.636 0 3 HJAF CC(=O)O[C@H](CO)COC(=O)[C@@H]1[C@H](C)CC[C@@]2(C)C(CCC=C(C)C)=CCC[C@@]12C 14409464 QHWXZKKFMSATQN-SFTSMORHSA-N 420.590 4.979 0 1 HJAF biogenic COCCOCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1CC=C(C)C 28764942 SRMLSPHJODOYLP-UHFFFAOYSA-N 410.466 4.674 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncs1 40420663 ILWGRHNQIGQYHK-UHFFFAOYSA-N 406.311 4.619 0 1 HJAF Cc1cc(Cl)cc2c1S(=O)(=O)N[C@H](C(=O)c1ccc(Cl)c(Cl)c1)S2 40848912 RYCBRKHBTZTJPK-HNNXBMFYSA-N 422.742 4.548 0 1 HJAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N2CCC(C)CC2)c1 82146625 LBPDKRFJPLNAHY-PMACEKPBSA-N 406.574 4.806 0 1 HJAF 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CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccs4)cc3)cc2S1(=O)=O 95601573 HXWQTAKCJJMCFM-CQSZACIVSA-N 419.549 4.511 0 1 HJAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)ncc(Br)c4[nH]3)oc12 586904186 SEQDJKUNTCTHLE-UHFFFAOYSA-N 406.623 4.608 0 1 HJAF COc1cc(-c2nc3ccc(C(C)=O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144156 SBUPDEMHMMVGNG-UHFFFAOYSA-N 404.397 4.945 0 1 HJAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356246 ZVMXIZIQOLHZLJ-SXPGVMETSA-N 424.468 4.930 0 1 HJAF C[C@@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373187 LSTOHNPNTQVELK-AUSIDOKSSA-N 409.482 4.938 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)cc1N)O2 587375683 FEERLEYCVSPSJW-QFIPXVFZSA-N 423.310 4.831 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587418546 BZGNYOHSSNEQFI-MHECFPHRSA-N 420.848 4.769 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ncc(Br)cc13)CC2=O 587458216 HVJCQIJZCIAUQB-HXUWFJFHSA-N 415.287 4.864 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(F)c(F)c1O)CC2=O 587468977 ZTYKHTCWQANKFN-CQSZACIVSA-N 413.214 4.798 0 1 HJAF COc1ccc(C)cc1NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660422 DTMGMHVKHNNJAC-UHFFFAOYSA-N 419.481 4.765 0 1 HJAF Cc1ccc([C@@]2(c3occc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587748857 ZAPQGSOIKBOPPN-YEJXKQKISA-N 415.306 4.898 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C)c2-c2ccccc2)N1 587766869 XRELPBYYJCYVHG-HXPMCKFVSA-N 400.295 4.612 0 1 HJAF COc1ccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587808939 ORWIEWYTHLTVCU-YUNKPMOVSA-N 406.295 4.619 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587810101 SZNKRDNWTJPCTH-SVIJTADQSA-N 412.343 4.851 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834649 LXFMUHCYHWEQQL-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1ccccc1 587863288 FXLLKUQUWALTSZ-UHFFFAOYSA-N 405.445 4.543 0 1 HJAF COc1cc(N(CC2(C)CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772597039 AANFOUCBNMVANI-IAGOWNOFSA-N 414.889 4.585 0 1 HJAF COc1ccc(C(=O)[C@@H](CCC2CCN(Cc3cccc(C)c3)CC2)C(C)=O)cc1O 1772614336 SECLJIGCOQQKHR-QHCPKHFHSA-N 423.553 4.790 0 1 HJAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CCCC[C@H]2CCCO)c1 2356397285 LXHMXYRWGMCGCZ-AWRGLXIESA-N 420.590 4.935 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)C3=CC[C@@H]([C@@H]4COC(=O)C4)[C@@]3(C)CC[C@H]21 2356415469 MBJLOOMSTRIRSW-KGWDRCHJSA-N 412.570 4.903 0 1 HJAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(OC(F)(F)F)cc2)=NO1 12726037 YCQHHEJWXZNFIR-LJQANCHMSA-N 403.360 4.599 0 3 HJAF COc1ccc([C@@H]2C=CCN(CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 18044532 QCZPYHKLKNCXSP-QHCPKHFHSA-N 410.533 4.822 0 3 HJAF CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4Cl)cn23)c1 61895639 IJLQYSJFCYJVNR-UHFFFAOYSA-N 418.884 4.592 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 4043174 DLYTVNRGPRGOJH-ILBGXUMGSA-N 415.537 4.914 0 1 HJAF CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 13492998 OFCFSGYGIPQRRO-UEHCNWKZSA-N 407.646 4.878 0 1 HJAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3)N2C1=O 13527926 OOXINTWWKKLTIQ-CTNGQTDRSA-N 407.901 4.900 0 1 HJAF c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)nc1 13684447 XPTWUFILEBEWQL-UHFFFAOYSA-N 411.509 4.675 0 1 HJAF CC(C)CC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26390723 YBHYVZMSEKYDAH-UHFFFAOYSA-N 422.403 4.565 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26730205 HPFQTJINQTUEHG-UNMCSNQZSA-N 418.537 4.888 0 1 HJAF C[C@]12CC[C@@H]3c4cc(I)c(O)cc4CC[C@H]3[C@@H]1CCCC2=O 38253450 HTOZGTCPRLWLDE-QPWUGHHJSA-N 410.295 4.812 0 1 HJAF COc1cc2c(cc1OC)Sc1ncnc(Nc3ccc4ncsc4c3)c1NC2 40566881 HCOGTSYUASNTGX-UHFFFAOYSA-N 423.523 4.924 0 1 HJAF Cc1cc(OCCCN2CCC[C@H](N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49046868 XQUIDTKKCWMBJK-IBGZPJMESA-N 424.564 4.781 0 1 HJAF COc1ccc(-c2ccn([C@@H](CC(=O)O)C3CC3)c2-c2ccc(C(N)=O)cc2C)cc1 71281035 DFKAKOVIJBUUEV-QFIPXVFZSA-N 418.493 4.664 0 1 HJAF COCCn1c(C(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189838 QRXWBLVBNVCFNE-UHFFFAOYSA-N 408.333 4.558 0 1 HJAF C/C(=C(/OCCCCOc1ccc(F)cc1)c1ccc(F)cc1F)n1cncn1 84741963 TWIJJJUJZAWHKW-QNGOZBTKSA-N 403.404 4.917 0 1 HJAF N=C(N)Nc1ccc(Cc2ccc(NC(=O)CCCCCCCCCCN)cc2)cc1 95596289 KZBOPGXSIJGSFK-UHFFFAOYSA-N 423.605 4.991 0 1 HJAF COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204165531 WQZQCVQJRSEWLU-UHFFFAOYSA-N 401.470 4.585 0 1 HJAF Cc1cc(Cl)ccc1-c1ccnc2cc(S(=O)(=O)Nc3ncns3)ccc12 215509529 VVURYSCHDHPNSP-UHFFFAOYSA-N 416.915 4.516 0 1 HJAF CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2 253687203 IIVLONMULFPENV-HPUZDQILSA-N 414.549 4.991 0 1 HJAF CSc1sc(-c2nc3ccc(Cl)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919576 BMKAGYYZYILQBQ-UHFFFAOYSA-N 422.384 4.897 0 1 HJAF COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F 586984579 GYSRDWGZEKETCV-SFHVURJKSA-N 404.283 4.658 0 1 HJAF COC(=O)c1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587023926 SFYGLKQHXMTHLZ-UHFFFAOYSA-N 420.313 4.964 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl 587062088 SFQZHBVZZFOYFF-MGPUTAFESA-N 418.324 4.963 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084466 AVZNJBLGJONRBO-UHFFFAOYSA-N 402.635 4.892 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(OC(C)C)cc2[nH]1 587111304 ABOKSIXGWCUWQE-FQEVSTJZSA-N 405.420 4.769 0 1 HJAF CC(C)COc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br 587119028 WEUYBMIELHXVCV-UHFFFAOYSA-N 417.229 4.780 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(COc3ccc(Cl)cc3C2)[C@@H]1c1ccc(F)cc1 587330631 OPAWYPJPYMSJRE-FYYLOGMGSA-N 410.828 4.918 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)C 587376092 GVQQKNQVQAGNCO-QGZVFWFLSA-N 420.303 4.842 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC)c(Br)c1)[C@@H](C2)C3=O 587414553 WGKZEOYXDINSDV-APPDUMDISA-N 409.663 4.608 0 1 HJAF COc1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587504355 RQNRVNRBAXPJPO-QGZVFWFLSA-N 403.272 4.749 0 1 HJAF COc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587524960 NTRBQKFGANKZGC-YMJPAYASSA-N 420.505 4.936 0 1 HJAF COc1c(Cl)ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551850 KOIUMDUWJVSFQP-MAUKXSAKSA-N 418.232 4.806 0 1 HJAF CCOc1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587587756 HNVDULPNFUEMDD-ZJSXRUAMSA-N 401.418 4.975 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)N1 587742580 SHJVEZIDTPOZIH-BDJLRTHQSA-N 415.347 4.809 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(c2ccccc2)N1 587815873 QVXWWLFJXMYJPP-YEJXKQKISA-N 402.307 4.735 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(=O)c1ccccc12 587826883 JREBAIQYOXXIMF-CYBMUJFWSA-N 422.297 4.959 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)c1 587933110 VBRICTDYJLGMGB-UHFFFAOYSA-N 408.255 4.627 0 1 HJAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 587937576 POPQKULAYFFBNT-VWLOTQADSA-N 412.537 4.504 0 1 HJAF CN(C)Cc1csc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962646334 ZLJQTIPRVBKRHE-RCZVLFRGSA-N 403.595 4.646 0 1 HJAF CNc1nc(N)c([C@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)s1 962664857 PYHXOIUMUPNDTA-RUZDIDTESA-N 412.562 4.872 0 1 HJAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2ccn(C3CCCC3)c2)N1 962921105 FYRKAJJDBOHEFQ-BJKOFHAPSA-N 418.493 4.789 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356566284 YEPSFDDUIHVEJE-HKIYKURRSA-N 416.694 4.887 0 1 HJAF O=C1[C@@H](CCc2ccccc2)[C@@H]2c3ccccc3C=NN2[C@@H]2c3ccccc3C=NN12 201479795 HTTZHIMCWMQZAN-SDHOMARFSA-N 406.489 4.515 0 3 HJAF CC(C)c1cc(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)n1 1889761 FIWPDBJRYNVMLJ-BGGMYYEUSA-N 415.505 4.734 0 1 HJAF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@@]21C 13298319 UWFYSQMTEOIJJG-DKJMFRIBSA-N 416.945 4.608 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@H]2O)ccc1O 13485404 LAQLCZKPJGMFRM-RPWUZVMVSA-N 408.494 4.793 0 1 HJAF endogenous,in-man C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1 13733959 GMKUSBWKAXHTDE-QZTJIDSGSA-N 400.513 4.866 0 1 HJAF COC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13795564 KMYASPPGBOISOT-DEOSSOPVSA-N 410.473 4.936 0 1 HJAF O=C(O)COc1ccc(-c2nocc3c(C(=O)c4ccc(Cl)cc4)ccc2-3)cc1 28569175 AUYLTMMNMSPZFT-UHFFFAOYSA-N 407.809 4.794 0 1 HJAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCCCO3)cs1 28770941 ZQHLEIIJGPWJHK-UHFFFAOYSA-N 403.554 4.706 0 1 HJAF C[C@@H](C(=O)O)N1CCN(c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)C1=O 40401886 QSOMLQDVOVKGQI-SFHVURJKSA-N 416.477 4.648 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc4c3CCCC4)n2)cc(OC)c1OC 40939645 HKMLAPDVSPCPSJ-UHFFFAOYSA-N 407.470 4.917 0 1 HJAF CC(C)=CCc1cc(C(=O)[C@@H](O)Cc2ccc(O)cc2)c(O)c(CC=C(C)C)c1O 43076536 VMDPAFNBQPVUSZ-QFIPXVFZSA-N 410.510 4.607 0 1 HJAF biogenic COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN(C)CCO 45228346 FTOYOBFGDKLZOD-UHFFFAOYSA-N 424.928 4.692 0 1 HJAF C[C@H](Nc1nccc(N(CC2CC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 49112690 HKNWWEOEVFHVRS-KRWDZBQOSA-N 414.509 4.641 0 1 HJAF O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccccc2Cl)N1c1ccccc1 82158506 DFXYLQSUWZHWML-XMMPIXPASA-N 413.908 4.775 0 1 HJAF Oc1cccc(-c2nc3c(NC4CCCCCC4)ncnc3n2C[C@@H]2CCCO2)c1 82187833 WXXGNMKLRLVEPO-IBGZPJMESA-N 407.518 4.513 0 1 HJAF CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 143243119 ORPKPZDNOLOFDR-NRFANRHFSA-N 418.497 4.645 0 1 HJAF Nc1nc(-c2cccc(NC(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)c2)c[nH]1 169328539 WCJLLQTXMKHLHD-UHFFFAOYSA-N 423.476 4.972 0 1 HJAF Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc(C)c1N 204535781 XKLWHFGCLGJBOU-UHFFFAOYSA-N 417.465 4.842 0 1 HJAF O=C(O)C[C@@H](CC(=O)Nc1ccc(OCc2ccccc2F)cc1)c1ccccc1 217071672 FEVHHJGFOBPUMV-LJQANCHMSA-N 407.441 4.992 0 1 HJAF FC(F)(F)c1cc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586966760 KQTRJSLANFPSJD-UHFFFAOYSA-N 411.796 4.972 0 1 HJAF O=C(c1ccccc1)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967448 XSDZZZJORWLGBP-UHFFFAOYSA-N 413.462 4.531 0 1 HJAF Clc1ccc(OCc2nc3cc4c(cc3[nH]2)OCCCO4)c(Br)c1 586975793 JQFCBGZLWWQFIQ-UHFFFAOYSA-N 409.667 4.719 0 1 HJAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(F)c3[nH]2)CC1 587092628 WARBHJVMZDYKBX-UHFFFAOYSA-N 417.403 4.507 0 1 HJAF FC(F)(F)c1cc(-c2nc3ccnc(Br)c3[nH]2)c(Br)cn1 587115077 MHHVGGQRUPXRRO-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1 587124174 LYXGUMBRRZPWMD-SREIQFSDSA-N 418.192 4.636 0 1 HJAF CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 587184125 NZYWTDFTFNXKPW-OAHLLOKOSA-N 419.310 4.708 0 1 HJAF CC(C)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587336875 KUBROTFBGOQCNR-WIOPSUGQSA-N 417.436 4.541 0 1 HJAF CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341531 XYHCQVVRZRIXRQ-CVDCTZTESA-N 415.461 4.564 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1Br)[C@@H](C2)C3=O 587413691 PAPJUDHFFDCTIE-IFXJQAMLSA-N 407.691 4.860 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)N(C)C)cc4)cc1)[C@@H](C2)C3=O 587427185 CHBUAPJJSRMXJA-SQJMNOBHSA-N 413.473 4.553 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cnc(Nc4ccc(Cl)cn4)s1)[C@@H](C2)C3=O 587450283 IJOUTPRPSVBNSW-RBZFPXEDSA-N 413.886 4.607 0 1 HJAF O=C1C[C@@H](c2c(Cl)ncnc2NCc2ccccc2)Oc2c1ccc1c2CCCC1 587500490 PIHGGDNEYOFJLI-FQEVSTJZSA-N 419.912 5.327 0 1 HJAF C[C@H](c1ccccc1)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580696 CXLPLAYHELWDOE-VEDVITAVSA-N 401.462 4.560 0 1 HJAF O=Cc1cccc([C@]2(C3CCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603971 STSQGVXTWFUSNL-DHLKQENFSA-N 400.430 4.862 0 1 HJAF CCN(/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CC 587706813 RHLPPZDNZJHDFF-OPMWLILLSA-N 409.265 4.736 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754430 DLGHTLCWWSXFTR-YBTHPKLGSA-N 403.295 4.583 0 1 HJAF O=C(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1 587781590 LJJUTRNJRBFWQA-UHFFFAOYSA-N 413.193 4.630 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 587929393 IQAMRVFRZHBNQT-XCLFUZPHSA-N 415.287 4.566 0 1 HJAF 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COC(=O)c1cccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587400951 UNMODJIHEHGZJE-VWLOTQADSA-N 401.462 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c(Cl)c1)CC2=O 587460355 FKUFRVGFLATPLR-NRFANRHFSA-N 401.890 4.541 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCCC3)c2)N1 587716797 JWNYLKDELKKXCK-MPBGBICISA-N 407.302 4.951 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCCC3)ccc2N)N1 587766517 NRFGXUYOPCPAEB-YEJXKQKISA-N 418.354 4.568 0 1 HJAF CCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 587791742 GERPXHLUQYVKOF-NSPYISDASA-N 416.294 4.824 0 1 HJAF Cc1cccc([C@@]2(c3cnc[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587793171 QLWNTEBQUSCTKR-LRTDBIEQSA-N 414.322 4.754 0 1 HJAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807742 MYQGXBGVALJFHR-ODXCJYRJSA-N 422.294 4.921 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587825176 GIAREXYLRUDRMH-WLPYNXSRSA-N 410.327 4.619 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2 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CC[C@H](c1nc2cc3ccccc3cc2[nH]1)n1cc(I)c(C)n1 587184074 CQMXLKDCYARJHS-QGZVFWFLSA-N 416.266 4.825 0 1 HJAF Nc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc2c1 587251525 IAPGADFPXTVCTB-UHFFFAOYSA-N 420.641 4.618 0 1 HJAF Cc1cc(Br)c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 587499751 VAGRMFMUPSZBHY-LJQANCHMSA-N 411.299 4.991 0 1 HJAF C[C@]1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC(=O)c2ccc3c(c2O1)CCCC3 587512112 UHGSAVIQHXIEOF-IOHVSYHRSA-N 407.554 4.620 0 1 HJAF COc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577821 PEZDBGHIMJKUBD-RCZVLFRGSA-N 413.429 4.894 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cccs2)N1 587720866 OHOMZQZKLRTZAD-XYZCENFISA-N 418.278 4.652 0 1 HJAF CC[C@H](C)c1[nH]c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587790583 IOXTZRSWJAFBGQ-ZPEMSAPTSA-N 411.315 4.639 0 1 HJAF Cc1cccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587826500 HOYZURGWGYOACQ-SPLOXXLWSA-N 420.322 4.929 0 1 HJAF COc1ccc2c(c1)[C@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834645 LXFMUHCYHWEQQL-FKIZINRSSA-N 406.295 4.547 0 1 HJAF COc1ccc(CCCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c1 587929128 RHEFFGHVZMIKHW-UHFFFAOYSA-N 402.498 4.587 0 1 HJAF CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2nc(C)cc2C)c1=O 653788012 JERRTZILEXDCQT-NSHDSACASA-N 406.864 4.691 0 1 HJAF Cc1cc2c(cc1F)[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)NCC2 962086900 BALNZUQSYNFIMH-DXPJPUQTSA-N 421.512 4.866 0 1 HJAF Cc1c(F)ccc2c1[C@H](c1ccccc1Oc1nccc(C(F)(F)F)n1)NCC2 962092056 MAZVMHPEHCWOOS-IBGZPJMESA-N 403.379 4.970 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@H]1c1[nH]c2nccc-2c(Cl)c1F 962400165 SQQJVMULMHKNDR-IBGZPJMESA-N 400.910 4.855 0 1 HJAF COc1ccc2c(c1OC)[C@@]1(c3ccccc3CCc3cc(O)ccc31)N(C)[C@H](C)C2 962569086 MEJAYYKTGSOIIV-CRYYWNKWSA-N 415.533 4.676 0 1 HJAF COc1cc2c(cc1OC)[C@](C[C@@H](C)CC(=O)O)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962575018 VHCYIKQBPWTAJB-RPPIVITFSA-N 411.542 4.633 0 1 HJAF Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962714977 SMNGQEBZISCKBX-UWJYYQICSA-N 418.390 4.698 0 1 HJAF 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424.456 4.972 0 1 HJAF Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)Nc3ccc(-c4ncc[nH]4)nc3)c2)cc1 299865154 NKJQQIPLDVECSJ-UHFFFAOYSA-N 411.465 4.593 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(C)cc2[nH]1 586938552 WFLJDWFWYOJURG-KRWDZBQOSA-N 417.600 4.569 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 586961868 MKSISGDSFHMLNR-HNNXBMFYSA-N 403.573 4.636 0 1 HJAF Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C 586962508 XHSAQNQISGTEII-UIFIKXQLSA-N 409.555 4.874 0 1 HJAF Cc1ccc2c3c(cc(Cn4cc(C(F)(F)F)ccc4=O)nc13)-c1ccccc1C2=O 586995652 NADWUSUNOBWSRV-UHFFFAOYSA-N 420.390 4.983 0 1 HJAF Clc1nccnc1N1CCC(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 587084387 ACXCRJAULOFFMT-UHFFFAOYSA-N 419.916 4.969 0 1 HJAF COc1cc(OC)c2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc2c1 587144030 HKXBGAAMSYTEIX-UHFFFAOYSA-N 406.413 4.626 0 1 HJAF CCS(=O)(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149904 OHEGOIPCIAWRNG-NRFANRHFSA-N 409.486 4.697 0 1 HJAF COc1ccc(C=O)cc1COc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401359 WFWIZVTYXGCUBO-XMMPIXPASA-N 417.461 4.684 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O 587427281 CXLMFCHJNGJBCS-CAASOKRLSA-N 413.517 4.859 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(OC)nc1C)CC2=O 587458346 RZJXZYPUSNZGNM-HXUWFJFHSA-N 420.303 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1N1CCOCC1)CC2=O 587461814 UAIKNEGIUGAWJM-HXUWFJFHSA-N 401.890 4.541 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(OC)cc13)CC2=O 587486485 UGQUQGPFJFDOPL-FQEVSTJZSA-N 423.465 4.718 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CN)(c1nc(-c3ccccc3)c(C)s1)CC2=O 587496672 ZRJSWTYVVZXCQA-HSZRJFAPSA-N 408.523 4.596 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccc(Cl)cc12 587550460 BAMQWBDDJSCFHG-RXVVDRJESA-N 407.809 4.935 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Br 587568455 LXOBYCRJQZHVEX-FXAWDEMLSA-N 415.214 4.997 0 1 HJAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 587598365 UDXWROKWADTXTF-ZJSXRUAMSA-N 406.434 4.893 0 1 HJAF CC(C)CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587613680 PDFGNLWTBZUUFA-GHTZIAJQSA-N 408.479 4.633 0 1 HJAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587699302 PXSTUHSGBVUVSF-QVMDTKBZSA-N 424.697 4.575 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCCN(C)C)N1 587742228 QKXRXMPBUVYIQP-SZNDQCEHSA-N 421.354 4.542 0 1 HJAF Cc1ccc(-n2cccn2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587759734 MLKVLTLRQCIMSG-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccccc2[nH]1 587788340 YHSISMKLJMXMJG-UHFFFAOYSA-N 420.421 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1 587826177 CWDAOVSEBKKBQQ-SBKAZYGRSA-N 422.294 4.630 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587839259 FFFWORMNEOQICG-PRWKNARSSA-N 404.279 4.758 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1 587845091 MUVIMCIEWZZFGF-BBATYDOGSA-N 423.351 4.986 0 1 HJAF COC[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962637134 KJPLPAIHMOSMDC-RSXGOPAZSA-N 418.968 4.977 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](CCOc2ccc(Cl)c(Cl)c2)N1 963233545 OWXOHWVDLQTQOG-PMACEKPBSA-N 417.292 4.651 0 1 HJAF CCN(CC)CCOc1ccc(Nc2nc(N(CC)CC)nc3ccccc23)cc1 1772583040 BNJWIVZNSKCVDE-UHFFFAOYSA-N 407.562 4.940 0 1 HJAF CC(C)(O)/C=C/C[C@]1(C)CCc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857592181 SQUZDQZNVOMZRG-JZUOHPEUSA-N 408.494 4.900 0 1 HJAF O=C(Nc1cccc(C(F)(F)F)c1)c1cc(O)nc2cc(Br)ccc12 1857746329 ZNMSSPRCYVJBIW-UHFFFAOYSA-N 411.177 4.974 0 1 HJAF COC1=C(C)[C@]2(OC(=O)C=Cc3ccccc3)C(=O)[C@@H]3C(C)=CO[C@H]3C[C@]2(C)CC1 2356607055 OHJOLXCVQUXFGH-OZTAZYLFSA-N 408.494 4.594 0 1 HJAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(OC(F)(F)F)cc2)=NO1 12726035 YCQHHEJWXZNFIR-IBGZPJMESA-N 403.360 4.599 0 3 HJAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2[nH]cnc12 13682669 GTBSGAPIEKIYFO-UHFFFAOYSA-N 412.375 4.676 0 3 HJAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2Cl)c2ncn(C(C)C)c2c1 61949063 IYCQMASIXYLKLI-AWEZNQCLSA-N 401.894 4.673 0 3 HJAF CNC(=O)N(C)CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(C)ccc32)CC1 604456 AVFXKVJXVWBTJZ-UHFFFAOYSA-N 422.548 4.664 0 1 HJAF CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 6725260 MZHNWFRXQJYOIJ-LEWJYISDSA-N 406.507 4.696 0 1 HJAF COC(=O)[C@@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)cc4)c23)C1 26718304 QCUDJDUUJFVRSC-NVXWUHKLSA-N 413.905 4.939 0 1 HJAF Fc1ccc(-c2nc(C3CCNCC3)cn2-c2ccnc(NC3CCCCC3)n2)cc1 27107790 MWSSBDJNSDXRDA-UHFFFAOYSA-N 420.536 4.680 0 1 HJAF CC(C)CN[C@@H]1Oc2ccc(C(=O)c3ccccc3)c(O)c2N[C@@H]1c1ccccc1 28126171 MDPQPLJZBUPJTB-PXDATVDWSA-N 402.494 4.741 0 1 HJAF Cc1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O 28862926 ZVFUAYJOGXMMNP-UHFFFAOYSA-N 420.868 4.576 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 36188682 KFZWDYQMBIYWFQ-MUNABGDISA-N 402.623 4.769 0 1 HJAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4ccccc4C(F)(F)F)CC3)nc2c1 38157622 AUUJYHBCLDTEJF-UHFFFAOYSA-N 414.353 4.927 0 1 HJAF CCCc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 38359400 IVSNFHQAIYJSCL-AREMUKBSSA-N 414.480 4.591 0 1 HJAF Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Br)c3)c2)c1 40403161 YEZVUSRRGGYMPS-AWEZNQCLSA-N 411.303 4.973 0 1 HJAF CCCCCCSc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl 42920831 IBVIIZYHGJMNCH-UHFFFAOYSA-N 417.402 4.670 0 1 HJAF O=C(NC1CC1)c1ccc(N2CCCCN2CCc2ccccc2)c(C(F)(F)F)c1 45210815 HVLMGCVRJYGVFE-UHFFFAOYSA-N 417.475 4.658 0 1 HJAF O=C(O)Cc1sc(C2(c3ccccc3)CCNCC2)nc1-c1ccc(Cl)cc1 45338807 SVOLDBJYHRIHMU-UHFFFAOYSA-N 412.942 4.760 0 1 HJAF Oc1ccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)cc1 586896268 NRGGRPVALZVBJZ-UHFFFAOYSA-N 408.093 4.873 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2 587031159 LXOSKNQZVFJHER-DAVUEJTQSA-N 406.483 4.968 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104594 SCDWYRRYXIJRAS-AWEZNQCLSA-N 400.478 4.828 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587109079 RPLXSPXHXWNJII-UHFFFAOYSA-N 420.572 4.758 0 1 HJAF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1C(F)(F)F 587115271 QNAZUMKZBNZNMV-UHFFFAOYSA-N 414.387 4.920 0 1 HJAF O=c1c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171515 NSUBNLHAAOYZKV-UHFFFAOYSA-N 407.207 4.860 0 1 HJAF CC(=O)Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335852 MQVVAVCUSWLXGE-ZCYQVOJMSA-N 417.436 4.690 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358216 PTSFQYSVEAZNKX-UKILVPOCSA-N 420.436 4.967 0 1 HJAF CC1(C)Cc2nc(N)sc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375598 UODBWISLIZIDSZ-MBSDFSHPSA-N 424.497 4.797 0 1 HJAF COc1nccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1NC(=O)C(C)(C)C 587508213 AAVPYQXFAZRGCT-IBGZPJMESA-N 408.498 4.660 0 1 HJAF C[C@@]1(c2occc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537916 BTAZPMHHNXTYIG-HNAYVOBHSA-N 401.212 4.625 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1)CC2 587573065 VGUIHAVHUJFMSH-OAQYLSRUSA-N 405.425 4.532 0 1 HJAF C[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583824 VEGFQWONJACNMY-BYPCIHSKSA-N 415.489 4.635 0 1 HJAF CCOc1ccc(-c2nn(-c3cc(F)cc(F)n3)c(=O)c3ccccc23)cc1OCC 587671637 OJIMRQMFJCPRHG-UHFFFAOYSA-N 423.419 4.523 0 1 HJAF COC(OC)c1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587716000 IJVYBLJRQUBCTD-MGNBDDOMSA-N 412.274 4.642 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587743570 OXANTWVYUOZPBE-GTJPDFRWSA-N 417.322 4.661 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587745995 YBQWNRHUUCECJL-QKKBWIMNSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3)n2C)N1 587753127 HZYLWIZCHYYSKO-CWTRNNRKSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3sccn23)N1 587853549 AGZTUSHBSDLENN-JVXZTZIISA-N 400.704 4.574 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(OC)c1OC 587858516 IIQUXESWKNSJRM-UHFFFAOYSA-N 421.280 4.961 0 1 HJAF COc1cc(C(N)=O)ccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1 653692778 ITWPODZEFMSAEW-CYBMUJFWSA-N 404.495 4.639 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccc(Cl)nc1)(c1cccs1)N(C)[C@@H](C)C2 962571641 IXUMEZQGZDNFSD-FPTDNZKUSA-N 414.958 4.982 0 1 HJAF Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@H]1c2ccsc2CCN1C(N)=O 962718804 VPVAJZPUCKKBLD-QGZVFWFLSA-N 421.353 4.634 0 1 HJAF NC(=S)c1cccc(-c2cn(CC3C[C@@H](F)[C@H](F)C3)c3cc(CO)ccc23)c1 1857615959 OIQDYYRJSCOVRQ-WOJBJXKFSA-N 400.494 4.521 0 1 HJAF O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 4610901 VJLXBASUDGHACX-LLPZWECASA-N 418.537 4.760 0 1 HJAF Cc1nn([C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2c1sc1ccccc12 6799141 RBOOYXFPJQGLPE-DNVCBOLYSA-N 417.534 4.674 0 1 HJAF CCCN1N=C2/C(=C/c3ccc(C)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(C)cc1 29311942 RWKYJDUJSPOUQG-DNJVQFHFSA-N 408.567 4.554 0 1 HJAF COc1nc2ccc(Br)cc2cc1[C@H](N[C@H]1CCCO1)c1ccccc1 40395043 ZUWJOZQFGAIPRI-WOJBJXKFSA-N 413.315 4.821 0 1 HJAF C[C@@H]1CCCN1CCc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 43017680 YHWXZYXEHVBOKF-HXUWFJFHSA-N 412.599 4.555 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](C)[C@H](C)C2 68590515 HFOJLJJWRROUFQ-OLZOCXBDSA-N 402.487 4.701 0 1 HJAF biogenic C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141916 TXCJPBUEIIAJQA-OXQOHEQNSA-N 422.504 4.839 0 1 HJAF Fc1cccc(CCNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)c1 82179624 CJPFQYXRVRYOED-KRWDZBQOSA-N 423.517 4.528 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CCCCC2)C1 95565207 PRXIPCHXQZPQRW-UHFFFAOYSA-N 412.843 4.654 0 1 HJAF COc1ccc(NC(=S)NCc2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1 96938447 HTRXOSICLWDNMU-UHFFFAOYSA-N 411.527 4.920 0 1 HJAF O=C(NCCc1cccc(Cl)c1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167045833 WOVOJUATGXMDCI-UHFFFAOYSA-N 419.912 4.860 0 1 HJAF CC(=O)O[C@H]1/C=C(\C)CC(=O)C[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 169292941 BIVURAJWBKYIFM-BQTLGXFOSA-N 404.547 4.794 0 1 HJAF CCO[C@H]1C[C@@H](c2coc3ccc(Br)cc3c2=O)N(c2ccccc2)O1 169327140 LRCWUFWUMWUZJC-PKOBYXMFSA-N 416.271 4.801 0 1 HJAF CCNC(=O)O[C@H]1CC[C@](CNc2n[nH]c3cccc(OC)c23)(c2ccccc2)CC1 169329403 WZZPYWCRKLLOTM-XZMJRDFISA-N 422.529 4.610 0 1 HJAF C[C@@H]1c2ncn(-c3cnccn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225985194 PHBHCPMOVBUSRC-LLVKDONJSA-N 419.794 4.522 0 1 HJAF CCCS(=O)(=O)N1CCC(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 586955791 VRAFGMCJFPDMJT-UHFFFAOYSA-N 415.584 4.633 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](O)(c1cccc(F)c1)C3 586988310 IRICNKKISSSPST-AREMUKBSSA-N 411.432 4.667 0 1 HJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cc(Br)cc3[nH]2)s1 587023273 MIJUBVSRKCKYFB-UHFFFAOYSA-N 413.272 4.935 0 1 HJAF Clc1ncc(I)c2nc([C@H]3Cc4ccccc4S3)[nH]c12 587041718 DOVRICBEPRYNBT-SNVBAGLBSA-N 413.671 4.605 0 1 HJAF CCCc1nc(-c2nc3cc(Br)c(C)cc3[nH]2)nn1-c1ccccc1F 587155281 CYRZBQCVNKWABD-UHFFFAOYSA-N 414.282 4.973 0 1 HJAF Fc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(N2CCCC2)n1 587177676 SXDCDICEJZZQAO-UHFFFAOYSA-N 400.763 4.916 0 1 HJAF C[C@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326453 BYHJADUNOAXXNM-YWZLYKJASA-N 419.239 4.902 0 1 HJAF C[C@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352336 WYFYNIZECFVIAH-ISKFKSNPSA-N 406.409 4.540 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1)CC2=O 587482284 DPCKQWWICGOQML-VWLOTQADSA-N 422.477 4.871 0 1 HJAF C[C@]1(c2ccc(N3CCC(C(=O)O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516176 ZFLQWVPHCPXQDH-AREMUKBSSA-N 419.521 4.747 0 1 HJAF CC(C)(C)OC(=O)N1[C@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587516236 AWFBUBIDTMHXCL-YADARESESA-N 415.530 4.661 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)o2)N1 587680246 IAYBRYCWNQYKGC-VXJOIVPMSA-N 403.089 4.741 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1 587707762 WXGNDNBIWVNJOG-YYSFKGJASA-N 422.681 4.972 0 1 HJAF Cc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760739 QIPNHHGXOVJVMZ-RNODOKPDSA-N 400.295 4.706 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccnn2C)c1 587760941 RHFOWMCVUZBNEM-YEJXKQKISA-N 414.322 4.921 0 1 HJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587784808 JNVLORZABWWCIR-QWRGUYRKSA-N 407.214 4.547 0 1 HJAF CCOC(=O)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798950 QHDCNKJNWRRFNE-LHSJRXKWSA-N 420.322 4.514 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1ccccc1 587862241 JEDJFPOJGSIVMA-UHFFFAOYSA-N 417.387 4.637 0 1 HJAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962700873 LFELNCVTKOATEY-YEJXKQKISA-N 414.477 4.597 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccccc3O)cc2)N1 962984883 AAJQFNJWQQUBML-LAUBAEHRSA-N 415.823 4.679 0 1 HJAF Cc1cccn2c(Br)c([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)nc12 963102637 FXOWONOEIMKDHZ-QAPCUYQASA-N 400.295 4.654 0 1 HJAF COc1cccc([C@@]2([C@@H]3CCCC[C@H]3C(=O)O)c3c(F)cccc3C[C@H]3CCCN32)c1 963108401 PCBHJFNOXVTQGN-RKCWLVDCSA-N 423.528 4.989 0 1 HJAF CC(=O)c1c[n+](Cc2ccccc2C)ccc1C[C@H]1Cc2cc(Cl)ccc2C1=O 1772582678 MKDMFAQJDRUVFQ-NRFANRHFSA-N 404.917 4.785 0 1 HJAF COc1ccccc1N1CCN(CCCOc2cccc3[nH]c4ccccc4c23)CC1 1911579256 RRLKVORMCWCCJB-UHFFFAOYSA-N 415.537 4.921 0 1 HJAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356435659 JVGYVFLADYRWMJ-CGDZLOTLSA-N 402.619 4.860 0 1 HJAF COc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1C 11754233 DDWJHZRHSVOXQM-UHFFFAOYSA-N 422.569 4.673 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295435 DCUPCNFOXFBODB-QTJGBDASSA-N 424.541 4.559 0 1 HJAF Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4cc(C)on4)cc32)cc1 6750202 UIGNSXBUKCMVQD-UHFFFAOYSA-N 408.483 4.574 0 1 HJAF Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1 13610450 GFJMSLRUMDAFSY-UHFFFAOYSA-N 403.511 4.890 0 1 HJAF FC(F)(F)c1cccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)c1 13755928 UOPMUBWAOQBXJF-UHFFFAOYSA-N 402.445 4.894 0 1 HJAF Cc1cc(F)ccc1C(=COCCN1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1C 13800086 PZZHWOWIOAUVGB-GOSISDBHSA-N 415.480 4.784 0 1 HJAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25411569 RIEQLIUUODEISW-UTKZUKDTSA-N 410.473 4.521 0 1 HJAF biogenic COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25434050 XEOYRSNGTAHXHA-MJGOQNOKSA-N 421.541 4.556 0 1 HJAF biogenic CCOC(=O)CC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26732857 APCIPSXSLOKDLJ-RUZDIDTESA-N 400.478 4.584 0 1 HJAF O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Nc2ccncn2)cc1 28952654 IAPQCGYOOKRAMC-UHFFFAOYSA-N 409.421 4.874 0 1 HJAF CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O 34717682 SOUNJDHGUGDNBB-QFIPXVFZSA-N 404.466 4.685 0 1 HJAF CC(C)OC(=O)N[C@H](OC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 68586537 GURZNSBXADQDRP-SNVBAGLBSA-N 404.077 4.719 0 1 HJAF biogenic O=C(C1CCCCC1)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103060 ZMCXGJDKSOQALT-QFIPXVFZSA-N 415.940 4.688 0 1 HJAF C[C@@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 72315267 KRDULPYOVRWKMA-LLVKDONJSA-N 419.851 4.929 0 1 HJAF O=C(O)Cn1c2c(c3c(Cl)cc(Cl)cc31)CCN(Cc1ccccc1)C2=S 73200096 WYLOYCNGIGUHGX-UHFFFAOYSA-N 419.333 4.767 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc(C)c1 82146574 PXWLTTSCUPEIAA-QGZVFWFLSA-N 406.505 4.774 0 1 HJAF O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100088698 YRZVXCBYBSYUAM-GQBGUXTCSA-N 413.496 4.968 0 1 HJAF CC1(C)[C@@H]2CC[C@@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@@H]1[C@@H]23 100774253 IJVOVAHXZFALHZ-YJVIZRIWSA-N 422.477 4.811 0 1 HJAF endogenous,in-man O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@H](c3cccc(Br)c3)[C@H]12 102964563 VILJUNOYFPAACM-AEFFLSMTSA-N 401.691 4.775 0 1 HJAF COc1cccc(OC)c1CCc1cc(Br)c(O)c(Br)c1 139477126 OLUWPUCDFICBPK-UHFFFAOYSA-N 416.109 4.720 0 1 HJAF O=C(O)Cc1ccc(F)c(-c2cccc3c2CN(C(=O)OCc2ccccc2)CC3)c1 144152127 ATVQOIGBXSDAFS-UHFFFAOYSA-N 419.452 4.815 0 1 HJAF Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1 203003146 JFTOYDVIHGDBEY-UHFFFAOYSA-N 413.441 4.779 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 586962092 UQMYLXRKJDAKAD-CWVNLOTRSA-N 417.481 4.536 0 1 HJAF Clc1ncc2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2[nH]1 586998775 QYWSXTHPWGPTSW-UHFFFAOYSA-N 415.678 4.966 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(N5C(=O)C=CC5=O)cc4)nc13)-c1ccccc1C2=O 587098235 SEPGAQNFQBMFML-UHFFFAOYSA-N 416.436 4.851 0 1 HJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587201032 DUEXGKQPQHDKLX-UHFFFAOYSA-N 421.851 4.558 0 1 HJAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C2CC2)n1 587230392 UMPKBYIKXAEHNB-UHFFFAOYSA-N 418.419 4.944 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(COc3ccc(Cl)cc3C2)[C@H]1c1ccc(F)cc1 587330646 OPAWYPJPYMSJRE-JTHBVZDNSA-N 410.828 4.918 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(C(F)(F)F)c1O)O2 587381761 LGJZBTGUCACJBO-AWEZNQCLSA-N 416.193 4.771 0 1 HJAF COc1ccc(OCc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)cc1 587398687 GIBLGGNXUIHCCT-XMMPIXPASA-N 419.477 4.880 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(C)cc4)c1Cl)[C@@H](C2)C3=O 587423589 WCMBBKISOCXRTQ-JTSKRJEESA-N 408.885 4.699 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1F)(C1CC1)[C@@H](C2)C3=O 587426425 NLTPJOSXXAZGHU-YWZLYKJASA-N 403.247 4.650 0 1 HJAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1-n1cccc1 587432595 XBBQUGUTHOWKFK-CJAUYULYSA-N 419.477 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4cccc(OC)c41)[C@@H](C2)C3=O 587453601 PHKFJACZTSGBOK-HFJWLAOPSA-N 412.441 4.780 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)CC2=O 587479977 MPJALUXXEQZJRQ-LNJIKXCHSA-N 424.493 4.715 0 1 HJAF C[C@@]1(c2ccc(SCC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506372 RSCMUYKWQCAECJ-QFIPXVFZSA-N 400.471 4.762 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cc(O)ccn2)c1 587589417 VOLMHCGKSCFWFF-RCZVLFRGSA-N 411.413 4.863 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)cccc2Br)N1 587676315 GHFMTZSCVLPQPE-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2OC(F)F)N1 587719081 PGZSRKMAULYBCO-ZKANADHPSA-N 404.201 4.952 0 1 HJAF COC(OC)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587726496 JCDLVYJQDLXROZ-XTZNXHDOSA-N 412.274 4.642 0 1 HJAF COc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587757115 MYVQPKXHHXVNGR-WYRIXSBYSA-N 403.295 4.712 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)n(C)n2)N1 587765860 UQLIQPJASVTFFL-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF COc1ccc2[nH]cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587804491 RCXWMZSBQUCECI-GIPWTMENSA-N 403.295 4.876 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@H](C)C2 587828884 ATOFGZWDOSKGDY-FKANQGBASA-N 420.322 4.934 0 1 HJAF COc1cccc(-c2cc(O)cc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1 587933665 UZVYEAQKFZFRHQ-UHFFFAOYSA-N 414.234 4.908 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(CCCC(=O)O)c1ccccc1F 963289012 HNSXDKFDQOCSJY-HXUWFJFHSA-N 406.295 4.575 0 1 HJAF Cc1nn(C(C)(C)C)c2c1[C@H](c1ccc3c(c1)OCO3)[C@@H]1C(=O)CC(C)(C)CC1=N2 1857576009 MVKFBFYPPBPYEP-SFTDATJTSA-N 407.514 4.899 0 1 HJAF CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H](O)C2=O 2356400198 SUUABGCZKXRNFT-JWQCQUIFSA-N 424.493 4.847 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@@]2(COC(C)=O)[C@H]3CCc4cocc4[C@@]3(C)CC[C@H]12 2356527845 JBMZWHIPLKEEMI-BAHGYDIPSA-N 402.531 4.813 0 1 HJAF CC1=C[C@H](CN2CCN(C)CC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356565883 OPSSFJQTOFGNKS-SMIHKQSGSA-N 422.617 4.690 0 1 HJAF COC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 2356820691 FNKYMGUMJBGLNY-YMPTZIRTSA-N 418.618 4.877 0 1 HJAF CCCCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)NCCCC 12466424 MQPVZQCECCHXDC-UHFFFAOYSA-N 417.575 4.644 0 3 HJAF CSc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c1 2456053 SRWOZUKJAFTBPQ-XZOQPEGZSA-N 414.530 4.884 0 1 HJAF O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2 3956263 FAZNWJVYUDNPGI-UHFFFAOYSA-N 411.477 4.735 0 1 HJAF COc1ccc(C(C(=O)NCCCN2[C@@H](C)CCC[C@H]2C)c2ccc(OC)cc2)cc1 13733987 ZZHWBLLFKUKZAZ-BGYRXZFFSA-N 424.585 4.605 0 1 HJAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC 26670334 KYAIXXKUPQNRDR-MRXNPFEDSA-N 415.331 4.686 0 1 HJAF COc1cccc(NC(=O)[C@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)c1 26952766 FMEUWASIYBNIKU-ZFTPDRLMSA-N 422.569 4.547 0 1 HJAF Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3ccc(F)cc3)CC2)CC1 28126937 KHXJXFWUMHULPM-UHFFFAOYSA-N 408.561 4.622 0 1 HJAF Cc1cnc2c(C(=O)c3cccs3)cnn2c1-c1cccc(NC(=O)CC(C)C)c1 28819320 ZWBWVTLWLZMZFB-UHFFFAOYSA-N 418.522 4.982 0 1 HJAF CC1=C(CC/C(=C\C[C@H]2OC(=O)C=C2CO)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 38627977 QJXKKRHELODLFT-HSACWFNSSA-N 402.575 4.862 0 1 HJAF COc1ccc2c(c1)[C@H](C)N(c1nc(C(=O)c3ccc(F)cc3)nc(C)c1C)CC2 64539269 HYWJOTVFIBPRQG-INIZCTEOSA-N 405.473 4.596 0 1 HJAF CCn1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 66252653 ABHGEUHKZCLZGJ-ZFGQVMFLSA-N 404.554 4.870 0 1 HJAF COc1ccc(CCNc2cc(-c3ccccc3C(F)(F)F)ncn2)cc1OC 82161155 HKMCKFWXYPNNMW-UHFFFAOYSA-N 403.404 4.834 0 1 HJAF CCCCNc1ncc(C(=O)NCCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82217174 ODRRIHKZAYYIMB-UHFFFAOYSA-N 418.541 4.789 0 1 HJAF Cc1c(C(=O)NCc2cccc3ccccc23)oc2cccc(OC3CCNCC3)c12 95553430 JDZKIYVLMLQBQF-UHFFFAOYSA-N 414.505 4.955 0 1 HJAF in-vitro COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)[nH]c(=S)n2)ccc1O 95872500 XOIRSCJVZSIOKJ-FCXRPNKRSA-N 408.479 4.908 0 1 HJAF CS(=O)(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247460 WORVMFGYOZJSID-RWDCKZERSA-N 414.546 4.645 0 1 HJAF COc1cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc(C(F)(F)F)c1 203005232 RVBJHZJTJMZFTQ-UHFFFAOYSA-N 404.396 4.900 0 1 HJAF C/C=C\c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 223670107 KSFJZAJNFSVANY-WHBBVXQDSA-N 401.539 4.768 0 1 HJAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CC/C(C)=C/CO 238749743 DHBPVKBZOWIHTC-JWARWUBZSA-N 406.563 4.891 0 1 HJAF CC(C)COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br 586909548 YNJDJUKNCKBUAI-GFCCVEGCSA-N 417.303 4.941 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@@H]2CCCC[C@H]21 587025250 GCIUINPTMQZJLZ-IMJJTQAJSA-N 400.935 4.748 0 1 HJAF Cc1cc(C)c2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 587106475 CZHYYAUDKZSGCO-MRXNPFEDSA-N 423.460 4.724 0 1 HJAF Oc1nc2cc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2[nH]1 587110327 RMXZQKNHYOKATH-UHFFFAOYSA-N 400.282 4.773 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)cc2[nH]1 587114930 ZPPNSAWEBFVZBC-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(-c2ccc(C(=O)O)cc2F)c1 587143995 OUPMKLNVKUBEDD-UHFFFAOYSA-N 420.396 4.514 0 1 HJAF CC(C)[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198240 VHUVBOZROPTBGE-NRFANRHFSA-N 421.476 4.853 0 1 HJAF COC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C 587361860 CWMWUTLTFICNAT-YEJXKQKISA-N 415.445 4.675 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(N)ccc2-c2ccc(Br)cc21 587374871 ZOMWKQKYRNWVQV-QFIPXVFZSA-N 421.294 4.811 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1OC 587399558 KSZJQHLXZKAGGY-DEOSSOPVSA-N 419.477 4.880 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(C)cc4)c1Cl)[C@@H](C2)C3=O 587423588 WCMBBKISOCXRTQ-HTAPYJJXSA-N 408.885 4.699 0 1 HJAF Cn1nc2ccc(Br)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497901 NAINLOOPLZHGCV-IBGZPJMESA-N 411.299 4.921 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1CCc1ccccn1 587576635 KCFIGATTZJMSSE-WIOPSUGQSA-N 412.445 4.534 0 1 HJAF CC(C)[C@@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581644 WWAZSTXIHAOCIR-WIOPSUGQSA-N 417.461 4.777 0 1 HJAF CC1(C)Cc2occ(C(=O)O)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587619627 YJWUCGKUDYVSCH-NTKDMRAZSA-N 420.417 4.513 0 1 HJAF Cc1ccc(C)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659846 GAKXYPNAXZIEOF-UHFFFAOYSA-N 402.425 4.539 0 1 HJAF CC(C)C[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706494 QMCYZPZPTBSBPU-MGPLVRAMSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnc2)N1 587752041 BKQHLLOHQUETLQ-RNODOKPDSA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CN2CCCC2)N1 587766007 LVGDEPNNVRGUIC-SZNDQCEHSA-N 403.339 4.808 0 1 HJAF CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587777948 KBIIPQAAWTYNPL-YBTHPKLGSA-N 419.294 4.869 0 1 HJAF Cc1nc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1 587790492 CHXYVDOZHZHIGM-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587794256 GIYVNVRZPYKOEI-RAJNIJHNSA-N 412.343 4.707 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@H]2CCCNC2)N1 587800092 ZXHSPESLORVCGX-FXCLAUTBSA-N 417.366 4.560 0 1 HJAF COc1ccc(OC(C)(C)C)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587944783 IVZHPPWAMDYUID-UHFFFAOYSA-N 403.479 4.884 0 1 HJAF COc1c(C)cccc1[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963188259 VZDCDUPJUXJWOZ-QFBILLFUSA-N 413.823 4.538 0 1 HJAF COc1ccc(OC)c(-c2cccc([C@H](CC(=O)O)c3ncc(C)s3)c2)c1OC 1772576175 SCZMZXRGMYCJLK-INIZCTEOSA-N 413.495 4.751 0 1 HJAF CCCSc1nc(Sc2nccn2C)c2[nH]c(=Nc3ccccc3)sc2n1 1857630568 KALNPQMTCJIPMJ-UHFFFAOYSA-N 414.585 4.639 0 1 HJAF Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2c(cnn2CC2CC2)c1=O 1857762436 ZMTQAHLEZFRKMT-UHFFFAOYSA-N 420.513 4.732 0 1 HJAF CCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)cc1 1857768276 NNORYSPOAZXKSD-UHFFFAOYSA-N 409.555 4.885 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@@H]1[C@H](C)C[C@@H](C=C(C)C)OC(C)=O 2356769871 PKZDHQQHMWMSHL-ZLVRZWSFSA-N 420.546 4.686 0 1 HJAF CN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1 3956220 GYGFFSFQDBQVKM-UHFFFAOYSA-N 408.386 4.672 0 1 HJAF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(CO)cc2)cc1 13604464 YEJZUVWQRMCIKW-JWQCQUIFSA-N 401.506 4.915 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(c2ncccc2C(F)(F)F)C1 13612010 UZLXDYWGWVNJLO-ZDUSSCGKSA-N 418.341 4.520 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccsc2[C@H]1CN1CCCC1 13823973 UFRFKPDRMYNUAU-GOSISDBHSA-N 409.382 4.819 0 1 HJAF COc1cc(C[C@H](C)[C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)ccc1O 14646532 VUUHIXIUHGVFKO-XAPDGSRCSA-N 402.487 4.537 0 1 HJAF biogenic C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 34283919 UDSXXZFTNZSJDL-HJPURHCSSA-N 409.913 4.959 0 1 HJAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1 38396740 RBFUJKPDVLOKBZ-OAQYLSRUSA-N 422.550 4.941 0 1 HJAF CC(=O)c1ccc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1 40412441 DTWNLESPHDGLAQ-UHFFFAOYSA-N 401.510 4.802 0 1 HJAF CC[C@H]1Nc2ccc(C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 40639738 SKOKNDQISYIJPD-QHCPKHFHSA-N 424.508 4.646 0 1 HJAF Cc1ccc(CN2[C@@H](c3ccccc3)COc3c(Cl)cccc3S2(=O)=O)cc1 72136668 TZMSJZIJZLYRME-HXUWFJFHSA-N 413.926 4.973 0 1 HJAF Clc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1 82185297 CBBFWOOMHBRCJP-UHFFFAOYSA-N 404.905 4.607 0 1 HJAF CC(C)(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82186087 WBDPFONTQYCXSG-UHFFFAOYSA-N 418.520 4.804 0 1 HJAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(=O)NCCOC 82192491 VEGTWQXMJKASTM-ZBEGNZNMSA-N 416.374 4.706 0 1 HJAF COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)OC(C)C)cc2C1 84726155 MTRJJUUOEPAUKB-SFHVURJKSA-N 423.918 4.598 0 1 HJAF COC(=O)c1cccc(Oc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)cc2)c1 96168226 NWEBZGFSWSTBNM-UHFFFAOYSA-N 414.465 4.825 0 1 HJAF CCCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)CCN(C)C 103256697 CBLNJWCEOCEDMM-UHFFFAOYSA-N 415.582 4.957 0 1 HJAF O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3Cl)ccc21)Nc1ccccc1 103296080 HZDUZVZDKRELCB-UHFFFAOYSA-N 422.893 4.586 0 1 HJAF Cc1nc2sc3c(c2c(-c2cnn(C)c2)c1[C@H](OC(C)(C)C)C(=O)O)CCCC3 113123823 GUYHTISXRGEIML-IBGZPJMESA-N 413.543 4.825 0 1 HJAF COc1cccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)c1 261096477 FMEUWASIYBNIKU-PUXCOOOISA-N 422.569 4.547 0 1 HJAF Brc1ccc(Cn2cc(CCCOc3cccc4cccnc34)nn2)cc1 299829312 LMNMTJGQBYNNTB-UHFFFAOYSA-N 423.314 4.649 0 1 HJAF COc1ccc2[nH]cc(CCNC(=O)[C@H](C)c3ccc(C[C@H]4CCCC4=O)cc3)c2c1 504603860 XATWXFCYPQTKPK-YLJYHZDGSA-N 418.537 4.551 0 1 HJAF biogenic O[C@@H]1C[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21 586904326 TWQYMSSBEAOMBY-WCQYABFASA-N 413.193 4.793 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2c3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 586988838 XMBZIFQRMNRXBZ-CABCVRRESA-N 414.461 4.583 0 1 HJAF CC(=O)Nc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586993390 HLPWOCAKCDORKL-UHFFFAOYSA-N 401.447 4.542 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587013654 WHSSXRAVOSMKID-UHFFFAOYSA-N 409.353 5.018 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@H]2CCCC[C@@H]21 587025251 GCIUINPTMQZJLZ-KBMXLJTQSA-N 400.935 4.748 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029776 UOJQSMHCQSXEMG-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF FC(F)(F)c1ccccc1Cc1nc2ccc(I)cc2[nH]1 587107203 PZGNMCXIQNMDJH-UHFFFAOYSA-N 402.157 4.777 0 1 HJAF C[C@@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174111 MJZGEIGYSQDIHU-DEOSSOPVSA-N 402.425 4.909 0 1 HJAF CCC[C@]1([C@@H](CC)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346060 ASVJWKSPBOUYKF-GREBRCKQSA-N 400.446 4.628 0 1 HJAF CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348335 NTAAQUUAURJBTC-UIDQEFQQSA-N 412.457 4.772 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc4c(c32)CCO4)[C@@H]1c1ccc(F)cc1 587361558 ZJJYEJKLXNXZIQ-ILBGXUMGSA-N 402.421 4.667 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ncc(C)cc13)O2 587389007 CVBARGFUBKHPPH-LJQANCHMSA-N 407.470 4.725 0 1 HJAF COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527280 RVJQVXQQSPQOQI-VWLOTQADSA-N 417.461 4.557 0 1 HJAF CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@H](C)C2 587615009 FJXXZWCPWGHNMA-FURSWLGUSA-N 418.445 4.817 0 1 HJAF CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(F)c1 587622325 KBELXLLKGIAHHH-UHFFFAOYSA-N 416.250 4.718 0 1 HJAF Cc1ccc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587651941 SAYUWLGSTPOJJD-UHFFFAOYSA-N 416.790 4.823 0 1 HJAF Cc1nc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587679013 DWUFQCHMRHSILF-BCTVWOGZSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(C2CCNCC2)N1 587732915 OJCDDGGECMGFRD-LRTDBIEQSA-N 421.329 4.505 0 1 HJAF CC[C@]1(C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc2O1 587745097 JNNJUQWNAVCGHO-QDEDPJFRSA-N 419.338 4.899 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587746792 OAMNTFHSRUFGQG-WSVYEEACSA-N 414.322 4.655 0 1 HJAF Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962714974 SMNGQEBZISCKBX-LAUBAEHRSA-N 418.390 4.698 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(Cl)cc(Cl)c3OC(F)F)c3cccc1c32 963022216 IGDQXIDEIARSOC-XLFHBGCDSA-N 413.251 4.738 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(C)nn(-c2ccc(F)cc2)c1Cl 963067128 NRAUATYVOFLRCS-JOCHJYFZSA-N 422.891 4.765 0 1 HJAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1cc(OC)c2occ(C)c2c1 963195505 ZIADHZFVHDHWEI-HSZRJFAPSA-N 423.509 4.508 0 1 HJAF CNCCN1CCC(c2ccc3[nH]c(-c4cccc(OC)c4OC)c(C)c3c2)CC1 1911586277 LKMOMHGWRSXEOT-UHFFFAOYSA-N 407.558 4.559 0 1 HJAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](O)C2=O 2356489473 ZLLJYAHSJDPPOJ-DNQXCXABSA-N 424.493 4.716 0 1 HJAF CC1=C[C@H](CNC2CCN(C)CC2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356691120 YAXATQPBJPKCKR-XPNTWCBSSA-N 408.634 4.952 0 1 HJAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 773373 AKLUFDUHEWFIKR-UXHICEINSA-N 424.472 4.580 0 1 HJAF CCN(CCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC 1551807 INXRDTYXVGUGFN-GOSISDBHSA-N 411.542 4.760 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4043189 MYIGFWZWFWYKBT-FPOVZHCZSA-N 417.912 4.553 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1N 4080519 KFTFLIVAZGHGKS-DHIUTWEWSA-N 409.530 4.608 0 1 HJAF CC(C)C(C/C=C1\C[C@@H]([C@H](CO)OC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 13812921 ZKDHGZDBUDHUJV-BJMJBFDTSA-N 410.595 4.769 0 1 HJAF COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)c1 13865421 IPIOFSASIRPEHU-YOOYISMFSA-N 421.537 4.720 0 1 HJAF O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1 28345423 RUNIZNWDLDTNRM-JKDFXYPNSA-N 402.368 4.527 0 1 HJAF Cc1cc(Br)ccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1 28372370 AXXXSMXGFLLCAC-ROUUACIJSA-N 419.319 4.772 0 1 HJAF CCc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12 34323559 LXOWCBOCRHDOIH-IBGZPJMESA-N 411.509 4.617 0 1 HJAF C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 40379621 RZSGYLLADYGHLX-CRAIPNDOSA-N 407.341 4.542 0 1 HJAF CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(Cl)cc1 62213041 TWBFKHGAPSZHPL-IBGZPJMESA-N 405.876 4.919 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)o1 82140446 LJYSQLWMSFCOKT-HZPDHXFCSA-N 422.504 4.914 0 1 HJAF Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C 95575673 XARMZAVQMJMYJM-JOCHJYFZSA-N 412.961 4.809 0 1 HJAF C/C=C/N1CCc2c(cc(OC(C)=O)c(OC(C)=O)c2Cl)[C@H](c2ccccc2)C1 101771674 WKCFPQBZYMIMRI-FZBXERKRSA-N 413.901 4.714 0 1 HJAF CCC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C(/C)I)cc1)N2 101843930 FMZWUJWDVRSFBN-CLJIWWMXSA-N 409.311 4.686 0 1 HJAF O=c1cc(COc2ccc(I)cc2)c2cc(Cl)ccc2o1 103264166 UEDDICVALZJGJJ-UHFFFAOYSA-N 412.610 4.630 0 1 HJAF CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)[C@H]1C(=O)CC(C)(C)CC1=N2 169690600 SCLFJRBWWBVSIU-CABCVRRESA-N 401.557 4.555 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)cc1 586902284 XLTKUOVZNDNBGN-UHFFFAOYSA-N 409.467 4.510 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586974941 YTSCRBPIMOJOSN-QGZVFWFLSA-N 409.433 4.572 0 1 HJAF CCOc1cc(/C=C\c2nc3c(Cl)ccnc3[nH]2)cc(Br)c1OC 586976982 DHEMZSBMXBCPAL-PLNGDYQASA-N 408.683 4.952 0 1 HJAF Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2n1 586983563 DOCUNRFNRLTTJN-UHFFFAOYSA-N 407.271 4.948 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587043982 WTEUIIGEJRTAKZ-KRWDZBQOSA-N 421.444 4.868 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(CO)cc4[nH]3)c(Cl)cc12 587078416 QBZDDHJADCQBCH-LBPRGKRZSA-N 412.873 4.908 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)cnc3[nH]2)c1 587159594 TZNMFCAGARUJRS-UHFFFAOYSA-N 408.234 4.865 0 1 HJAF COC(=O)c1cc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1OC 587196314 QIRJXPFZDWQOAG-UHFFFAOYSA-N 401.466 4.565 0 1 HJAF COc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587335060 VJOQTAPQZWFCSV-UGKGYDQZSA-N 413.832 4.863 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCCC1)O2 587377469 MUVUHKNOCNYMLB-GOSISDBHSA-N 401.304 4.646 0 1 HJAF COC(=O)c1cccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441216 DGCKTCPOAOSKEI-QFQXNSOFSA-N 414.457 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587482548 CDPHXQGCLNMPIK-PQNFPLSNSA-N 415.530 4.716 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1OC(F)(F)F 587557112 QDFCCOKMVKEUGU-YLJYHZDGSA-N 418.323 4.699 0 1 HJAF C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558335 WPDBVGSBDRQVLN-FXAWDEMLSA-N 401.340 4.683 0 1 HJAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)o1 587617932 RKSOFDVZLUWBJU-REWPJTCUSA-N 402.358 4.761 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1 587667350 JSOQLJVSKVIRBI-UHFFFAOYSA-N 421.447 4.883 0 1 HJAF Cc1cccc(C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587706432 PYYCAWYYOHIMMT-PIGZYNQJSA-N 417.244 4.826 0 1 HJAF COC(OC)c1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587718572 NJOOBUYTARRJHU-YPMLDQLKSA-N 412.274 4.642 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1 587725468 QAZUXNDICNRKRB-FKIZINRSSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccccc2F)N1 587727290 NKKUBEIAWYPAJB-GIGQVBGESA-N 404.258 4.741 0 1 HJAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800504 YDZQOPZBZGULCF-DGCWBMGLSA-N 420.322 4.565 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)ncn2C 587860157 NEVTZVIITGSGBU-UHFFFAOYSA-N 415.280 4.831 0 1 HJAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(I)cc2[nH]1 587928839 CEJLUWRGALLAJI-SCLBCKFNSA-N 404.251 4.621 0 1 HJAF COc1ccc(-c2nc(NC(=O)c3ccccc3)c3nn(-c4ccccc4)cc3n2)cc1 653777772 BDSWIUDQNNXKFK-UHFFFAOYSA-N 421.460 4.743 0 1 HJAF Cc1ccc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1C 962981625 VIERWSHOOJVHKH-UWJYYQICSA-N 416.855 4.714 0 1 HJAF CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)cc1 1857551737 JOIGFQYVDNFODT-UHFFFAOYSA-N 413.926 4.982 0 1 HJAF C[C@@H]1C=C[C@@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCCc3ccccc3)c2)CC1 2356364710 WWZGRLMHQUMKNE-OPJGWUQDSA-N 408.538 4.869 0 1 HJAF CC[C@H](C)N(C(=O)CSc1nnc2scc(-c3ccccc3)n12)[C@@H](C)CC 206491846 KDHPHIRSGXKBCT-GJZGRUSLSA-N 402.589 4.976 0 3 HJAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1 776852 BETORDWZSVVUTR-AWEZNQCLSA-N 412.461 4.939 0 1 HJAF CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(O)cc3n2)c1)C(=O)O 28111000 HBAIYFOIVVDCNM-UHFFFAOYSA-N 422.481 4.739 0 1 HJAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 36178489 SJSQQBATFXLXQC-SFTDATJTSA-N 405.498 4.870 0 1 HJAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](N(C=O)Cc5ccccc5)CC[C@@H]4[C@@H]3CC[C@@H]12 36189599 PIZOWAHAZOYXFC-GMMNHPHDSA-N 422.613 4.877 0 1 HJAF O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(CC1CC1)C[C@@H]1CCCO1 40936122 BEWWKHUWENFXDW-SFHVURJKSA-N 404.432 4.799 0 1 HJAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4cccc(Cl)c4Cl)ccc3N(C)[C@@H]12 84466179 WCGYJWKAKOZHKI-QUCCMNQESA-N 406.313 4.973 0 1 HJAF CC(C)Oc1ncc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1Cl 84669877 IBHMMTJLOXVVIE-UHFFFAOYSA-N 403.866 4.913 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)CC[C@]2(C)C(CCC=C(C)C)=CCC[C@]12C 85641926 CAOAPQVYLIYACO-COYNGRQVSA-N 420.590 4.979 0 1 HJAF Nc1ccc(S(=O)(=O)N(CCC(F)(F)F)c2cc3ccccc3s2)cc1 115235823 BWJLAGDQBWJUBC-UHFFFAOYSA-N 400.447 4.631 0 1 HJAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccc(C)cc1 261166376 RZYSFOVASKPKDP-IBGZPJMESA-N 424.884 4.665 0 1 HJAF CCCC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 299839003 WUUXYMBQLRJCRF-UHFFFAOYSA-N 402.834 4.820 0 1 HJAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)c(Cl)cc2[nH]1 586979506 DPRKKTCWBNRGAT-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF CCn1cc(Br)c(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)n1 587000041 KIPVERKJTZMNTD-UHFFFAOYSA-N 423.620 4.685 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)cnc3[nH]1)N2 587032602 UXFRRWBZONQSKK-DAVUEJTQSA-N 405.936 4.738 0 1 HJAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)n2)cc1 587113391 REXREDPDAWBIBT-UHFFFAOYSA-N 413.190 4.590 0 1 HJAF O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccco1 587215365 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NBRIGEKGDUDHPW-UHFFFAOYSA-N 404.901 4.596 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 299873156 ZHUOOEGSSFNTNP-UAOMQDKHSA-N 406.607 4.566 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](C(=O)O)(c1ccccc1)C3 586991046 QKMAEDWSZFENLI-HHHXNRCGSA-N 421.452 4.663 0 1 HJAF CN1CCN(c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)CC1 587105820 IJPCGLNFUOCQCQ-UHFFFAOYSA-N 405.501 4.865 0 1 HJAF CCCCCOc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1Br 587248180 HHLLEVBPUSOTDP-UHFFFAOYSA-N 418.291 4.842 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(N)sc3c1CCSC3)O2 587413211 FLCQEWXWLAKBQR-QHCPKHFHSA-N 422.575 4.919 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c(C(=O)O)c4)o1)[C@@H](C2)C3=O 587422669 RDYBNYQZERLKNM-LHSJRXKWSA-N 410.809 4.796 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575980 LRPQLIQVAWTQRU-OFVILXPXSA-N 412.445 4.538 0 1 HJAF Cc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587718603 OCELHNJWZYEENC-XXFAHNHDSA-N 401.226 4.517 0 1 HJAF CC(C)n1ncc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc21 587757181 GESPTEYFQDJUGT-ADLMAVQZSA-N 403.299 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C2CCCCC2)N1 587765765 UDMBLIBRCUPOFM-YUNKPMOVSA-N 406.343 4.993 0 1 HJAF CCCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587768607 LEJKOJGBAIOIMB-YEJXKQKISA-N 417.322 4.513 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCc3ccccc3)CC2)N1 587769314 ONTDMOSTMGWECO-MRXNPFEDSA-N 417.366 4.656 0 1 HJAF COC(=O)CC[C@@]1(C)CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587810097 SZNKRDNWTJPCTH-SMHULIPUSA-N 412.343 4.851 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cccs2)N1 587851779 JMYHPFHABVYRTM-HXPMCKFVSA-N 403.320 4.871 0 1 HJAF O=C(O)c1cccc(-c2cccc(-n3c(O)ccc3OCCc3ccccc3)c2)n1 587938264 SPJQOHLSSOMUOM-UHFFFAOYSA-N 400.434 4.565 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@]2(c3c(F)cccc3C[C@H]3CCCN32)C12CCCC2 963112659 UKLUSESPQOZWDA-KOSHJBKYSA-N 400.538 4.995 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc2n[nH]cc2c1 963905127 WIWFUFFORPGJOY-XMSQKQJNSA-N 421.497 4.597 0 1 HJAF COc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857558974 NSIJLXKAFRVXTL-FCHUYYIVSA-N 407.853 4.697 0 1 HJAF CC(C)(O)/C=C/C[C@@]1(C)CCc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857592182 SQUZDQZNVOMZRG-UWWJTUSESA-N 408.494 4.900 0 1 HJAF CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857647776 FLDVRJHGMUOJHQ-HNNXBMFYSA-N 407.898 4.642 0 1 HJAF CSc1ccccc1N1CCN(CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 1857755060 SNCMENCIARUXEQ-IBGZPJMESA-N 411.398 4.961 0 1 HJAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@@]12OC(=O)C(C)=C2O)CCCC1=CCOC1=O 2356398731 AWERMEJPIQQCKA-DVTDKFCNSA-N 412.526 4.952 0 1 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214679 MAPXQIJRDUNXME-SWUCNREESA-N 416.562 4.519 0 1 HJAF CCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641964 OABDDRUDBZSWPT-KRWDZBQOSA-N 411.321 4.572 0 1 HJAF CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)c12 16042433 WNKHATFLYYUMCW-JLTOFOAXSA-N 417.502 4.509 0 1 HJAF biogenic COC(=O)[C@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(F)c(F)c4)c23)C1 26725558 OQUMXKSLIFCBJZ-GJZGRUSLSA-N 415.440 4.564 0 1 HJAF COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 27298620 LSRPJNTWHNCYBF-RWJUSZKYSA-N 407.602 4.587 0 1 HJAF COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(-c3cccs3)c2)cc1C 28958377 YITORKLHYYYKMH-UHFFFAOYSA-N 411.523 4.794 0 1 HJAF Fc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1 40394675 BLMUVWZJASLYAE-UHFFFAOYSA-N 403.392 4.942 0 1 HJAF Cc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccccc2)[nH]c1=O 40880572 OJFQETUSFVZESB-UHFFFAOYSA-N 419.333 4.951 0 1 HJAF O=C1CCCN1CCCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45168943 VRBWGUNBVJOAGF-UHFFFAOYSA-N 424.548 4.999 0 1 HJAF Cn1cc(/C=C2\C(O)=NN=C2c2nccs2)c2c(OCc3ccccc3)cccc21 73162358 GQYFVKYIQVGETG-ATVHPVEESA-N 414.490 4.972 0 1 HJAF COc1ccc2cc3[n+](cc2c1NCc1ccccc1)CCc1cc2c(cc1-3)OCO2 73168943 XEDNRGSTIPLFLT-UHFFFAOYSA-O 411.481 4.700 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccccc3)ccc21 73220574 RWAPCMBWRXFMQN-GOSISDBHSA-N 405.538 4.680 0 1 HJAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185876 RZBFCLRXPCRLNX-QGZVFWFLSA-N 419.504 4.570 0 1 HJAF CN(C)c1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N3)cc1 102577095 MFOSPKMOBGUVJI-OAQYLSRUSA-N 414.513 4.714 0 1 HJAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](C4)[C@H]3c3nc4ccccc4[nH]3)ccnc2N1 150305687 UDDWKWDIETXXHS-JJEOQYAHSA-N 408.461 4.688 0 1 HJAF Cc1ccc(NC(=O)c2ccc3oc(C(=O)Nc4ccc(C)cc4)cc(=O)c3c2)cc1 169315152 HKDDEKBKPUGTAO-UHFFFAOYSA-N 412.445 4.914 0 1 HJAF COc1cc(-c2oc3c(OC)cc(/C=C\COC(C)=O)cc3c2C)ccc1OC(C)=O 238782088 XAGIMIJDFQILBZ-SREVYHEPSA-N 424.449 4.927 0 1 HJAF Cc1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586955480 YYMXRKYAPMEROC-UHFFFAOYSA-N 405.523 4.593 0 1 HJAF Fc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c(F)c1F 586966223 KAEUJUJPJTUGBQ-UHFFFAOYSA-N 415.444 4.790 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cnc2[nH]1 586996423 PLZSHQGDKMTAFY-UHFFFAOYSA-N 411.097 4.797 0 1 HJAF Fc1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587006286 CWIUVILFALLMRI-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1 587019794 WLHQNCJGFZZAGD-UHFFFAOYSA-N 400.291 4.659 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ncc2c(Cl)nccn12 587104206 QEAQMMNIKVKXSS-HNNXBMFYSA-N 408.848 4.830 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2 587383345 SETPWCCZOMMSGI-JLTOFOAXSA-N 404.432 4.846 0 1 HJAF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)cc1OC 587596371 OFRKWZYJTRAMNU-URXFXBBRSA-N 406.434 4.811 0 1 HJAF Cc1cccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1C 587652038 JXOOYVPFAZWTMK-UHFFFAOYSA-N 408.841 4.527 0 1 HJAF C[C@@H](Oc1ccc(F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655502 KKUJIFKMWPMUJO-CYBMUJFWSA-N 424.378 4.589 0 1 HJAF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587694167 OOPYVAKJOFFWDU-XLFHBGCDSA-N 414.702 4.970 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C)c2-c2ccccc2)N1 587763297 JEHGLZYEQAQPHG-BUXKBTBVSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3sccn23)N1 587853543 ACPAYMOPYSMUHV-MADCSZMMSA-N 400.704 4.574 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(OC(F)(F)F)cc1 587867670 BWGFHLBBHFBTAF-UHFFFAOYSA-N 403.282 4.860 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(C)c1C 587869395 IWODANDQOLCEHD-UHFFFAOYSA-N 406.433 4.834 0 1 HJAF Nc1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(-c2ccc(Cl)cc2)s1 587875278 CPAMUOMRHUXNRN-UHFFFAOYSA-N 412.833 4.843 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccs2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962692470 BMDOMMJBVPAEIQ-ZHRRBRCNSA-N 419.587 4.838 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(OCCc3ccccc3)cc2)N1 963238104 VNYPUESTYZEOIQ-UIOOFZCWSA-N 424.500 4.545 0 1 HJAF Cc1ccccc1-c1ccc2c(ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn32)c1 1857573722 CNDWFUKCCDJJOE-VWLOTQADSA-N 409.533 4.892 0 1 HJAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3c3ccccc3)c2)cc1 1857637881 IFAWVZNLAOTEPS-QHCPKHFHSA-N 400.478 4.945 0 1 HJAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(-c3ccccc3)ccc1F)NC(=O)N2 1857640794 KORWPRHXGPRYLQ-HXUWFJFHSA-N 408.429 4.743 0 1 HJAF CC(C)=C1C[C@H]2O[C@H]3CC(=O)O[C@@]4(CC[C@]5(C)[C@H](c6ccoc6)CC(=O)[C@H]5[C@@]24C)[C@@]13C 2356390207 UFKBHGSCOKYVMC-GHOUVCIXSA-N 424.537 4.958 0 1 HJAF CC1=CCc2c(O)c(Cl)c(C)c(c2O)[C@H](O)[C@@H]2C(=O)C(C)(C)O[C@@H]2C(C)=CCC1 2356708366 MWJBWRVMTRFETC-ORYQWCPZSA-N 420.933 4.685 0 1 HJAF CC(C)(C)C(=O)Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12 6901911 QPSYTINTURVYJN-UHFFFAOYSA-N 423.488 4.519 0 1 HJAF Fc1ccc(C(OCCNCCCNCCc2ccccc2)c2ccc(F)cc2)cc1 13800394 AFTYGKFAHDIZJA-UHFFFAOYSA-N 424.535 4.883 0 1 HJAF Cn1cnc(NCc2ccc(F)c(F)c2)c1-c1nnc(Nc2ccc(Cl)cc2)o1 28571807 GQMVTZFDECNZJE-UHFFFAOYSA-N 416.819 4.757 0 1 HJAF CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2 45253628 GLKFHODDQQHCAX-UHFFFAOYSA-N 421.585 4.635 0 1 HJAF O=C(Nc1ccccc1F)N1CCC2(CC1)OCc1cc(Br)ccc1O2 68267879 DCIPWBDOWNKCCS-UHFFFAOYSA-N 421.266 4.521 0 1 HJAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCC3CCCCC3)C(C)C)co2)cc1 82070319 HZXJOPWXECTFCG-OAQYLSRUSA-N 412.530 4.918 0 1 HJAF CC(C)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCc1ccccn1 82185197 ZJTTWUGMALDRHC-UHFFFAOYSA-N 406.921 4.853 0 1 HJAF c1ccc(CCn2c(-c3cccnc3)nc3c(NC4CCCCCC4)ncnc32)nc1 82190600 KSYYUKPNQWHGBG-UHFFFAOYSA-N 413.529 4.661 0 1 HJAF S=C1NN(c2ccccc2)C2(C[C@@H](c3ccccc3)O[C@H](c3ccccc3)C2)N1 103202668 MDOFYMKMZGTYJP-VXKWHMMOSA-N 401.535 4.875 0 1 HJAF O=c1cc(COc2ccc(I)cc2)c2ccc(Cl)cc2o1 103264168 DLLXNHFWCRKBJF-UHFFFAOYSA-N 412.610 4.630 0 1 HJAF Cc1ccc2nc3c(O)n(CCN4CCC(Cc5ccccc5)CC4)cnc-3c2c1 103904078 ROZLVHRWFWCKEU-UHFFFAOYSA-N 400.526 4.505 0 1 HJAF O[C@H](c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1 140155101 ZFYRLAQGQOIDGT-JOCHJYFZSA-N 401.466 4.726 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccccc2)n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c1ccc(Oc2ccc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3c2)cc1 586878787 HKOIJDFOWWUTRZ-MDWZMJQESA-N 414.417 4.907 0 1 HJAF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1C(F)(F)F 587114848 KHUOCSRBZIRYIG-UHFFFAOYSA-N 418.350 4.750 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cc(Br)c(F)cc3F)nc12 587138160 YACNDTJPKGDUAZ-UHFFFAOYSA-N 403.024 4.737 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138964 YAPRGRZEFIGMCE-UHFFFAOYSA-N 408.360 4.660 0 1 HJAF Cc1cc(F)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 587170107 IOUMVYHQBFWWHR-UHFFFAOYSA-N 405.451 4.679 0 1 HJAF Cc1c(Br)cnc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12 587201485 NQAMNAJFCBFJKN-UHFFFAOYSA-N 411.344 4.610 0 1 HJAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354319 QJNGCKGNFJHUCF-JDKUBGRYSA-N 410.441 4.540 0 1 HJAF O=C(OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)c1ccccc1 587357575 VKELBQDFJGGULC-WRVMZKTCSA-N 418.420 4.648 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC[C@](F)(Cl)C(F)(F)Br)O2 587381449 JBVZDRZKLHJJOR-ZIAGYGMSSA-N 414.649 4.974 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCn3ccnc3)c1)CC2=O 587472253 ZHISEOOGLCKJIN-HSZRJFAPSA-N 406.482 4.717 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1c[nH]c3ccccc13)CC2=O 587484406 OTSGQQCXZLDWKZ-XMMPIXPASA-N 407.466 4.640 0 1 HJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccc(Cl)cc1 587502749 SXANAXCNONAKLS-QHCPKHFHSA-N 407.901 4.989 0 1 HJAF Cc1nn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Br 587504140 PICDSOZSQWXQAI-FQEVSTJZSA-N 403.320 4.565 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1Br 587558159 QUJSWDINHPYITL-OXQOHEQNSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccc(F)cc1 587572333 SARSLVJVSXMDKL-RDGATRHJSA-N 413.404 4.832 0 1 HJAF O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638021 IFUVOKGZKVRDSS-UHFFFAOYSA-N 412.161 4.878 0 1 HJAF Cc1cc(Br)cnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587684194 OTWKKBITJWCZFP-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF CC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587701295 XAFSHTMZKDSCBH-NSPYISDASA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2)N1 587715027 QWUPYYQGHSHHQP-JDNHERCYSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2OC(F)F)N1 587719689 QYPGBXAEWZMDPC-ZKANADHPSA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cccn3)cc2)N1 587761185 TUZMZNPDSKDIGB-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587761235 AAFKYKWWNYBEQA-LRTDBIEQSA-N 414.322 4.880 0 1 HJAF CCOC(=O)c1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793290 DFSXCRJBLKGEJH-YEJXKQKISA-N 420.322 4.757 0 1 HJAF COc1ccc2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587807478 XFZXMKCLZHRSBG-YBTHPKLGSA-N 403.295 4.876 0 1 HJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587925399 AAMLDGXPRYVDQS-VIFPVBQESA-N 400.788 4.536 0 1 HJAF Cc1ccc(-c2csc(NC(=O)NCC(=O)COc3c(C)cccc3C)n2)cc1 621477843 PIHITOPRGHUTHN-UHFFFAOYSA-N 409.511 4.505 0 1 HJAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cccc3c(F)cccc23)N1 962622158 BATSPIMOILICSO-RTBURBONSA-N 405.347 4.566 0 1 HJAF C[C@@]1(c2sc(N)nc2C(F)(F)F)c2cccc(F)c2CCN1[C@H]1CCSC1 962691641 ALCHKNYFZFLHJT-BTDLBPIBSA-N 417.497 4.510 0 1 HJAF CC(=O)[C@H](c1ccccc1)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953740 KAWPIMDSYVALMZ-IFMALSPDSA-N 417.471 4.945 0 1 HJAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(F)c1F 963189988 NKAVWZIYPSGIGN-WBMJQRKESA-N 405.750 4.634 0 1 HJAF Cc1nn(C(C)(C)C)c2c1[C@H](c1ccc3c(c1)OCO3)[C@H]1C(=O)CC(C)(C)CC1=N2 1857576006 MVKFBFYPPBPYEP-LEWJYISDSA-N 407.514 4.899 0 1 HJAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccsc1 1857602302 XWXHYZMPMAZSDW-OAHLLOKOSA-N 407.417 4.881 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@@H]1O 2356761073 HJPCXYKWUOGDSW-FKEBYFGASA-N 414.583 4.572 0 1 HJAF CCN(CC)CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12 6748648 MEJPPUQWYRSWBI-UHFFFAOYSA-N 406.555 4.596 0 1 HJAF COc1cc(C(=O)c2sc(-c3ccc(Cl)cc3)cc2N)cc(OC)c1OC 35065311 RPXVVAGASRGGGW-UHFFFAOYSA-N 403.887 4.908 0 1 HJAF CS(=O)(=O)c1ccc(-c2cc(C(=O)O)c3cccc(-c4ccccc4)c3n2)cc1 45291309 MLQPRQDMBSYVDQ-UHFFFAOYSA-N 403.459 4.671 0 1 HJAF COc1ccccc1OCCNC[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 49037052 PEVLAFDVQRAQGN-JOCHJYFZSA-N 421.562 4.697 0 1 HJAF Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1 49037440 QEYCCERKPBVVNO-HXUWFJFHSA-N 422.532 4.956 0 1 HJAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)c3ccccc3)nc21 70719236 CATUEIYXQQMLSN-GOSISDBHSA-N 424.936 4.617 0 1 HJAF CCCC[C@H](Nc1nc(-c2ccc(OC)cc2)cs1)C(=O)NCCCOC(C)C 82195634 KPELORXSJUUATI-IBGZPJMESA-N 419.591 4.721 0 1 HJAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 95559164 XEBQRXWVUKTLHL-OAQYLSRUSA-N 402.425 4.588 0 1 HJAF COC(=O)CCCCCCCO[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl 103276833 AYKCFQCLILVCPC-SFHVURJKSA-N 414.333 4.856 0 1 HJAF O=C(O)c1cnn(-c2nc(-c3cccc(OC(F)(F)F)c3)cs2)c1C(F)(F)F 115473250 NFAJIWQGSFKPCC-UHFFFAOYSA-N 423.294 4.611 0 1 HJAF COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12 261155268 PTWXHCRNJYIGEK-UHFFFAOYSA-N 411.414 4.708 0 1 HJAF C[C@H]1[C@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 299875404 CWEFIDFCCGQNNT-WHIZCHOSSA-N 422.548 4.905 0 1 HJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(Br)cc2[nH]1 587075900 GATADIDKKSJFLF-UHFFFAOYSA-N 401.651 4.808 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)cc1N 587108970 JZVMOAIYYYNNEN-UHFFFAOYSA-N 412.371 4.778 0 1 HJAF O=C1CCc2cc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc2N1 587150555 LXGBTAGYTCSPLI-QFIPXVFZSA-N 405.404 4.894 0 1 HJAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(F)c(F)cc2[nH]1 587166852 CBQPUGIYINRHEX-UHFFFAOYSA-N 409.414 4.510 0 1 HJAF Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1 587179594 YUJUGVJKESKQIK-UHFFFAOYSA-N 403.145 4.557 0 1 HJAF COc1cc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587350167 JZQXLGDNHDZOLX-ZCYQVOJMSA-N 422.452 4.996 0 1 HJAF CCCCOC(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350949 SQZWQQXKONWLFX-PTLVVNQVSA-N 412.457 4.772 0 1 HJAF CCN(CC)c1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378272 TXSNJPOPHFHVAY-IBGZPJMESA-N 403.320 4.892 0 1 HJAF COC(=O)c1cccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441052 CJYFPVBUYBFFSH-YKSBVNFPSA-N 400.430 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587474633 IYJWUJNGBUTBFI-QHCPKHFHSA-N 403.519 4.716 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(-c3ccccc3)cc1)CC2=O 587488970 LOZRVCBMNLMGFF-VWLOTQADSA-N 402.446 4.957 0 1 HJAF O=C1C[C@@H](c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 587500913 AJSTUJYODHNEER-SFHVURJKSA-N 404.247 4.877 0 1 HJAF Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575766 DEQNJVDETBHJAG-BVAGGSTKSA-N 409.441 4.880 0 1 HJAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC 587599416 XGYOALATBFRVBS-YKSBVNFPSA-N 406.434 4.893 0 1 HJAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC 587611563 GJGPKNIFJONBRT-REWPJTCUSA-N 408.475 5.000 0 1 HJAF CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615027 VACLCAQWJRFRCP-LEDSTXDGSA-N 424.474 4.510 0 1 HJAF Cc1csc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n12 587617547 KDBCSWSFDUSVEE-RDTXWAMCSA-N 412.854 4.766 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587744651 SDYTYWQLVYWOLR-ASSNKEHSSA-N 419.338 4.983 0 1 HJAF COc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587768814 MRUYOUSYVLFKSQ-AWEZNQCLSA-N 419.338 4.627 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cnccn3)cc2)N1 587776558 XZVIEURTODOYIH-FKIZINRSSA-N 414.278 4.794 0 1 HJAF CCOc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc1C 587778559 PIYNSRNYFYNMIJ-UHFFFAOYSA-N 411.097 4.857 0 1 HJAF O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CCCC2)c1ccc(Cl)cc1 957602577 HZNKJKUSXKPNID-UHFFFAOYSA-N 417.896 4.578 0 1 HJAF CCc1oc2ccccc2c1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962647980 VTYCKVRCGHZAGC-WIOPSUGQSA-N 400.478 4.731 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@H]2[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963130591 KOVVGGPKZQUYQB-VBKZILBWSA-N 404.432 4.507 0 1 HJAF CNc1ccc(C2(c3ccc(NC)cc3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963637666 TUHLXFAXPMJBEE-KRWDZBQOSA-N 417.553 4.613 0 1 HJAF COc1ccc(-n2cc(-c3ccccc3Sc3ccc(N)cc3)nn2)c(OC)c1 1857565997 DREFOQMIKFOXDY-UHFFFAOYSA-N 404.495 4.685 0 1 HJAF CCOP(=O)(OCC)[C@H](N(O[C@H](C)c1n(C)cc[n+]1C)C(C)(C)C)C(C)(C)C 1857581482 VSIKVCAIEJWCGB-AEFFLSMTSA-N 418.539 4.581 0 1 HJAF CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356605093 SOTUFGKJQVSOCT-JOCHJYFZSA-N 400.515 4.757 0 1 HJAF CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 7997915 RYMZZMVNJRMUDD-GQEOVNBMSA-N 418.574 4.586 0 1 HJAF O[C@H](CCN1CCN(c2cnc3ccccc3c2)CC1)c1csc2ccccc12 13491127 FFDJMJKKWSECNE-HSZRJFAPSA-N 403.551 4.695 0 1 HJAF COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2F)nc2ccccc12)c1ccccc1 13762386 MPDSEWFBHJBLOK-HSZRJFAPSA-N 414.436 4.685 0 1 HJAF CCCc1nc(-n2cccc2)cn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832357 SBEWCSMKAPOSPR-UHFFFAOYSA-N 409.497 4.522 0 1 HJAF CCCCC1=NC2(CCOCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833572 GVGMYCZEPTXGBF-UHFFFAOYSA-N 420.509 4.532 0 1 HJAF CCC(CC)CNC(=O)c1ccc2c(c1)c(Cc1ccc(C(=O)O)cc1OC)cn2C 13861352 VJXPUXUPGZOSGY-UHFFFAOYSA-N 422.525 4.642 0 1 HJAF CCCOc1oc(=O)c2cc(NC(=S)NCc3ccccc3)ccc2c1Cl 27632188 WPMWFENBVZOHHM-UHFFFAOYSA-N 402.903 4.722 0 1 HJAF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2C(=O)OCCCc2cccnc2)cc1 28642562 NFOISRKCLCJHIE-RDPSFJRHSA-N 422.569 4.551 0 1 HJAF CCCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12 40409405 HYEMZIURYDEUQG-UHFFFAOYSA-N 409.582 4.502 0 1 HJAF CCN(CC)CCNCc1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1 53294899 SGZYJCXOMNDDPJ-UHFFFAOYSA-N 404.533 4.808 0 1 HJAF Cc1c2ccc(N(C)c3ccnc(Nc4cccc(Br)c4)n3)cc2nn1C 103261665 YKUAGRKABCIADY-UHFFFAOYSA-N 423.318 4.946 0 1 HJAF CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c(OC)c1 103538758 QTXLKUKSYRFQAH-SFHVURJKSA-N 414.531 4.715 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(F)cc3)CC[C@H]12 253898169 QRXQUYSQEGNIRQ-VVUHAGMXSA-N 410.533 4.678 0 1 HJAF Cc1ccc(S(=O)(=O)c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2)cc1 299825669 ZQUPOZVMFGNMEE-UDWIEESQSA-N 409.894 4.974 0 1 HJAF COc1ccc(-c2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 299839121 RRPYZOFEHMOKES-UHFFFAOYSA-N 403.522 4.980 0 1 HJAF O=C1c2ccoc2CC[C@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 586906305 BABGWMMLMWOELG-QMMMGPOBSA-N 424.092 4.669 0 1 HJAF O=S(=O)(Cc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950646 IPENPELRGNHUCH-UHFFFAOYSA-N 420.538 4.648 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cnc(Cl)nc3)[nH]c12 587085732 DPTPAZBHVYOXKQ-UHFFFAOYSA-N 417.778 4.944 0 1 HJAF Nc1ccc(-c2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)cc1N 587118275 MCFIJZJIQDUDNZ-UHFFFAOYSA-N 412.419 4.535 0 1 HJAF Cc1c(Br)cnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587132572 SOLRYCMOPAQEPU-NSCUHMNNSA-N 404.136 4.895 0 1 HJAF CN1CCN(c2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)CC1 587150465 RASKFOAXFNAUKJ-XMMPIXPASA-N 415.516 4.655 0 1 HJAF COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587349662 IXIONHIYAAAGDZ-NOZRDPDXSA-N 422.452 4.909 0 1 HJAF CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350951 SQZWQQXKONWLFX-XZDHIHRUSA-N 412.457 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4[S@](C)=O)cc1)[C@@H](C2)C3=O 587447470 AKEAVRVJPIOSPR-KADOZOMVSA-N 404.487 4.588 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccccc3F)cn1C)CC2=O 587467408 RJXABYMSCFSAEN-JOCHJYFZSA-N 407.441 4.760 0 1 HJAF O=C1C[C@@H](c2ccc(OCC(=O)N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587514101 LZAMHNAOWRULOR-DEOSSOPVSA-N 419.521 4.663 0 1 HJAF O=C(CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Cc1ccc(F)cc1 587567718 BHVMTDSCMYMYPY-JTHBVZDNSA-N 420.436 4.844 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587581886 XNJXTQVDLPEOSF-RCZVLFRGSA-N 417.461 4.758 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccccc1F 587655510 KRNUPXNPQKZDFV-UHFFFAOYSA-N 411.408 4.726 0 1 HJAF Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 587655941 IVOONBINERQGQS-UHFFFAOYSA-N 420.415 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Br)N1 587678533 DCWSFEYYCIDGFX-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3ccccc3oc2=O)N1 587704854 KQVLILTZVJHVQC-LZVRBXCZSA-N 422.681 4.972 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)nc(N3CCCC3)c2)N1 587736901 CJAPPNAYIPHIDP-FKIZINRSSA-N 422.317 4.520 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN3CCCC3)c2)N1 587768069 SRFWFYNCJCVDFW-LHSJRXKWSA-N 403.339 4.808 0 1 HJAF CCOC(=O)C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798009 NJSSZGCZRQSEOY-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF COc1cccc2c1OCC([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 587837168 ZWTXIYNFGWZONR-WLRWDXFRSA-N 404.279 4.648 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2sccc2cn1 587863752 GUHDHUJPNMCJIQ-UHFFFAOYSA-N 403.385 4.876 0 1 HJAF COc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)cc1 587874480 CBTKLIOPRWENJC-UHFFFAOYSA-N 406.369 4.664 0 1 HJAF O=C(OCc1ccccc1)N1CCC[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587876703 WHVZAIVCVWUFBB-INIZCTEOSA-N 421.428 4.484 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(Cc5cccc(OC)c5)[nH]c4c3)o2)cc1 587931413 OUOBFLAQZMYJAO-UHFFFAOYSA-N 412.449 4.888 0 1 HJAF C[C@]1([C@@H]2CC3CCC2CC3)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963189824 VXVFBRMKSOWUOG-HFQHQVAISA-N 401.856 4.999 0 1 HJAF CCCCC[C@@H]1C[C@]2(C=C(C)[C@H]1C(=O)OC)N[C@@H](C)Cc1c(OC)ccc(OC)c12 963603275 CBWRSHRRQAOBIC-IYIPGHPQSA-N 415.574 4.769 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)N(C)C)cc1 1772589166 MUTBEIGKAHNCFX-SELNLUPBSA-N 410.558 4.551 0 1 HJAF Cc1cc(-c2ccccc2)ccc1C(=O)N[C@H](Cn1ccnc1)C(=O)c1ccccc1 1857553426 WEFHPNNFDQUWNW-XMMPIXPASA-N 409.489 4.540 0 1 HJAF O=C(CCCN1[C@H]2CC[C@@H]1C[C@](O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 1857553894 CXQUOFVDYCOSEZ-IUTQVRIDSA-N 401.909 4.957 0 1 HJAF CC(=CCO)CC[C@]1(C)[C@H](C)CC[C@]2(COC(=O)CCC(=O)O)C(C)=CCC[C@@H]21 2356496749 ZHDNTNMAWDHSRT-ILEGPTGMSA-N 406.563 4.892 0 1 HJAF COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3cccs3)n2)cc1 929140 BNAVMGZIYZWXNK-INIZCTEOSA-N 400.525 4.706 0 3 HJAF O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 12466673 HSTSDPXWNJIQDG-MRXNPFEDSA-N 416.321 4.534 0 3 HJAF O=C(NO[C@H]1CCCCO1)Nc1csc(Cc2c(Cl)cccc2Cl)n1 12354929 PQSZGZYJVYNDAS-HNNXBMFYSA-N 402.303 4.620 0 1 HJAF CC(C)c1ccc(S(=O)(=O)n2c3c(c4cc(F)ccc42)C[C@H](N(C)C)CC3)cc1 60325823 ZLSXIXYITXPSOC-GOSISDBHSA-N 414.546 4.560 0 1 HJAF O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccccc1 64503551 YOXPNAZATYYXDF-UHFFFAOYSA-N 409.371 4.600 0 1 HJAF COc1ccc([C@H]2C(=O)N(c3ccccc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 66264042 YZOWSQLMWCGXAA-DHIUTWEWSA-N 419.477 4.593 0 1 HJAF COc1cc(N2C(=O)[C@H](c3cccs3)[C@H]2c2cccs2)cc(OC)c1OC 71318018 XDJLGLPRZIHAAO-QZTJIDSGSA-N 401.509 4.707 0 1 HJAF COCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 95574992 MQNDNJDYZVJFQY-JOCHJYFZSA-N 407.489 4.521 0 1 HJAF O=C1N(Cc2cccc3c2C=CC3)CCCC12CCN(c1cnc3ccccc3n1)CC2 96173041 DVRYNQSUPPNBRU-UHFFFAOYSA-N 424.548 4.608 0 1 HJAF CC(C)(Oc1ccc(N(CC2CCCC2)C(=O)Nc2nccs2)cc1)C(=O)O 103243927 YOGCXHGPSPPMRD-UHFFFAOYSA-N 403.504 4.614 0 1 HJAF CN1CCc2c(c3cc(Cl)ccc3n2C(=O)c2ccccc2Br)C1 169350481 AUZHCOKGSYTOEK-UHFFFAOYSA-N 403.707 4.734 0 1 HJAF C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4cc5c(cn4)CNCC5)nc32)CC1 169700167 QCXIUEONPAEKGB-RHNCMZPLSA-N 413.529 4.515 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3cccc(F)c3)cnc3ccc(F)cc23)CC1 201538374 FAAHISAVSMIXHE-UHFFFAOYSA-N 402.466 4.582 0 1 HJAF Fc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1 223662856 BARZNYSJNJPOJK-CQSZACIVSA-N 424.480 4.549 0 1 HJAF CC(=O)O[C@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]12 238751967 ZWHODPRQDJDKOK-TXQNHOLUSA-N 402.531 4.881 0 1 HJAF O=C1CCc2cc3nc(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)[nH]c3cc2N1 587138097 AEVABEUNIAMUIG-UHFFFAOYSA-N 419.387 4.758 0 1 HJAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 587184123 NZYWTDFTFNXKPW-HNNXBMFYSA-N 419.310 4.708 0 1 HJAF CC(=O)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587346431 BTIWQWJNUFWCSD-ISKFKSNPSA-N 406.409 4.731 0 1 HJAF COc1cccc(-c2cc([C@H]3CN(C)CC[C@@]3(C)O)nc3c2oc2ccccc23)c1 587362963 KJYDYTNRTXCAQP-CJFMBICVSA-N 402.494 4.827 0 1 HJAF CC1(C)Cc2sc(N)nc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587375140 RESSJDWTYZNNKI-FDDCHVKYSA-N 424.497 4.797 0 1 HJAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379437 UVDWSIUOACCJJR-VGOFRKELSA-N 401.890 4.681 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]4CN(Cc5ccccc5)C[C@H]41)[C@@H](C2)C3=O 587445992 ZURVQDPAVQSNJE-PVFWEKFRSA-N 403.522 4.504 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3cccc(F)c3F)c(=O)c3ccccc23)c(O)c1 587667539 OBBWOIXEOCEYDT-UHFFFAOYSA-N 421.447 4.883 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2occc2Br)N1 587680238 OKJLFUPWKSPPGP-ANRSDYALSA-N 403.089 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1 587695476 BGTMNGGLOLUYRT-ZOUNKIPVSA-N 424.697 4.660 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(C2CC2)N1 587834182 QTMXAGAYGQAMRW-ZUOKHONESA-N 412.343 4.661 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc3cnc(Cl)nc23)N1 587857111 KDQDOMWLINTOCU-NXSYQRQQSA-N 412.715 4.870 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1noc2ccccc12 587864198 GPJFZTYCJZMKKJ-UHFFFAOYSA-N 415.371 4.992 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(N(C)C)cc1 587865268 ZXKAJDPEPZOKPN-UHFFFAOYSA-N 403.404 4.722 0 1 HJAF O=S(=O)(Cc1ccccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21)c1ccccc1 963096363 NCXDWQFFJGATLE-OFVILXPXSA-N 421.537 4.910 0 1 HJAF CC[C@H]1CCCC[C@@]12c1c(ccc(OC)c1OC)CCN2C(=O)c1ccccc1N 963161133 XHLPSDBOBJYODF-BVZFJXPGSA-N 408.542 4.780 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21c2ccccc2COc2cc(F)ccc21 963636083 OUZILWDXHIAPIE-BZQUYTCOSA-N 405.469 4.561 0 1 HJAF CCCCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857647713 IXMCUXZUGBBJBO-OAQYLSRUSA-N 402.523 4.832 0 1 HJAF CCN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)NCC)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3[C@@H]1C 2356619794 UHCFBQGPAUZDTC-SOWXURCCSA-N 416.694 4.982 0 1 HJAF c1ccc(Cc2nc(N3CCC4(CC3)OCCO4)c3c4c(sc3n2)CCCC4)cc1 753866 VHGFIJCTAVNNED-UHFFFAOYSA-N 421.566 4.504 0 1 HJAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@@H]1CN3CCCC[C@@H]3C=C21 13310390 KXKULRKSUHFWLX-QVKFZJNVSA-N 407.510 4.737 0 1 HJAF biogenic O=C(O)c1ccc2c(c1)[C@H](SCCNC(=O)c1ccccc1)c1ccccc1CO2 13726982 RJJYEHHSPBXLJG-JOCHJYFZSA-N 419.502 4.530 0 1 HJAF CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCC4)ccn23)n1 28822175 ZIXXDGFTFFKQPK-UHFFFAOYSA-N 416.504 4.623 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCNc1ccc(C[C@@H](C(=O)O)n2cccc2)cc1 38448923 HBGMBWWOCFYKFE-QHCPKHFHSA-N 415.493 4.975 0 1 HJAF CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)CCO2)c2ccccc2O1 40862412 GBDLKBIKHVRAAO-OAQYLSRUSA-N 402.332 4.738 0 1 HJAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2Cl)S1 45364665 ZHMRBYQBEFSWGD-GFCCVEGCSA-N 403.674 4.728 0 1 HJAF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc12 84635562 HJZWZCDAIFUSIC-UHFFFAOYSA-N 416.477 4.612 0 1 HJAF CC(C)=CCC[C@@]1(C)Oc2c(O)cc3c(c2C[C@H]1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31 85996583 MVDMPADXXDHNOL-RJIVXFJJSA-N 424.493 4.508 0 1 HJAF biogenic,in-vitro O=C1N(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 144033203 PXPNIRJIDMOLDC-UHFFFAOYSA-N 416.325 4.838 0 1 HJAF COc1ccc(Nc2ccc(Oc3ncccc3C3CCN(C(C)=O)CC3)cc2)nc1 148190191 NGPOJTOLJGZDNQ-UHFFFAOYSA-N 418.497 4.747 0 1 HJAF CC(=O)Oc1cccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 169317230 KCVGBAUEZVAURG-SANMLTNESA-N 406.570 4.846 0 1 HJAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc12 169333958 LVXJAXATTPKNMT-JOCHJYFZSA-N 414.933 4.948 0 1 HJAF COC1CCC2(CC1)Oc1ccc(-c3cccc(Cl)c3)cc1[C@@]21N=C(C)C(N)=N1 169708616 GYYFFSAIGLHSCV-CKRJSAQMSA-N 409.917 4.712 0 1 HJAF CCCN1N=C2/C(=C/c3ccccc3C)CS(=O)(=O)C[C@@H]2[C@H]1c1ccccc1C 253673114 PJTUKNUCUNTHFW-RQKWPITRSA-N 408.567 4.554 0 1 HJAF CCOC(=O)c1nc(Nc2cc(N)cc(Oc3ccccc3)c2)c2ccccc2n1 299826830 ODEGMHBWIUEVMQ-UHFFFAOYSA-N 400.438 4.925 0 1 HJAF O=C(NCCCc1ccccc1)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 299841274 YXIUOVJEXYHABJ-WGSAOQKQSA-N 402.485 4.725 0 1 HJAF Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1F 586954105 ACBGWHGDBXJNNX-UHFFFAOYSA-N 423.513 4.732 0 1 HJAF COc1ccc(OC)c2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990771 DYVNVZJMQUXOFM-UHFFFAOYSA-N 409.441 4.935 0 1 HJAF Cc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br 587042760 LZWBUMFKGYNHEX-OAHLLOKOSA-N 422.735 4.943 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cc(C)cc(C)c3[nH]2)[C@H]1c1ccccc1Cl 587063046 LNIZWJLMPDZGMW-HTAPYJJXSA-N 411.933 4.927 0 1 HJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587114920 ZKNHOOJQUQJZJG-OAHLLOKOSA-N 403.448 4.760 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(C2CCOCC2)[C@@H]1c1ccc(F)cc1 587350274 WWHROXXUIGEYMA-NOZRDPDXSA-N 419.452 4.607 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1Br)O2 587376571 JKJVECCUENYVGW-HNNXBMFYSA-N 411.093 4.809 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(SCc3ccccc3)ccc21 587407683 CDPLBEZGZZIZTE-DEOSSOPVSA-N 416.502 4.682 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N1CCCC1)[C@@H](C2)C3=O 587411524 DAPOEVCDCSSGAN-LHSJRXKWSA-N 414.299 4.547 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587419330 FVJQFKJGGQPPLY-GTNSWQLSSA-N 413.189 4.965 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587519043 UJMRRGRQDQDTLR-WVFSIPRWSA-N 411.542 4.936 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)cc1Cl 587547423 SLMNLWOFCZXKIS-OFNKIYASSA-N 418.836 4.934 0 1 HJAF CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 587587428 MVNPSUBEVNGOCP-CVDCTZTESA-N 400.434 4.866 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CN1CCCC1 587592075 HMZHMGGSPPNVAX-WIOPSUGQSA-N 401.462 4.691 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(O)c(Cl)cc32)N1 587695183 IHXPGBNOXYLQKZ-YYSFKGJASA-N 412.686 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C[C@H]2F)N1 587736523 AVEOLUYINIWZQH-CFCCAZDESA-N 421.329 4.562 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccccn2)N1 587752797 GETIXAWIUXALDB-SZNDQCEHSA-N 414.322 4.651 0 1 HJAF COc1ccc(-c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587797754 SQDUYLMNADPMPU-GIPWTMENSA-N 417.278 4.875 0 1 HJAF CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587832361 BPCJMJQCQPLUIB-LRTDBIEQSA-N 404.323 4.957 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)nc3sccn23)N1 587857035 PAZFIZDLUDBLMS-JDNHERCYSA-N 406.324 4.798 0 1 HJAF Oc1ccc(OCc2ccccc2)n1-c1nn(COc2ccccc2F)cc1Cl 587944788 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COc1ccc(N[C@H](C[S@](=O)c2ccc(C)cc2)C(F)(F)C(F)(F)F)cc1 5582862 BPPDYHUPUMBTGN-CHAGWJKLSA-N 407.404 4.790 0 1 HJAF CC1=C(CC/C(C)=C/CC[C@H]2C=C[C@@H](C3=CC(=O)O[C@@H]3O)O[C@@H]2O)C(C)(C)CCC1 13827548 IHBISWKFXRKGKM-WFFMWURMSA-N 416.558 4.711 0 1 HJAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)C 26652326 XFDGPYVXJCRQFZ-NMTNEYKDSA-N 418.666 4.820 0 1 HJAF CN(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 36188581 OKVPDEXTEJGPIM-JEWPQQIOSA-N 406.570 4.563 0 1 HJAF COc1cccc(-c2c(OC)cc(N[C@H](C)CCCN)c3nc(OC)cc(C)c23)c1 66100876 KUJUYMZXELLTAJ-MRXNPFEDSA-N 409.530 4.775 0 1 HJAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1CC[C@@H]1CCCN1C 82181810 MSMLBOPTKGAMEI-KRWDZBQOSA-N 412.607 4.888 0 1 HJAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 95583131 HAKKERBWPNWSAP-UHFFFAOYSA-N 407.413 4.666 0 1 HJAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cscc3Br)cc2)C[C@H]2CC[C@H]1N2C 101031422 AKZNIBWGGYEGKL-WTLGNFPFSA-N 420.372 4.917 0 1 HJAF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104691891 AVQIPZASSYPEBA-QFIPXVFZSA-N 417.465 4.566 0 1 HJAF Cc1oncc1-c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12 142982249 VRYHWYULQWACJW-UHFFFAOYSA-N 404.380 4.777 0 1 HJAF CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C(/C)I)cc1)N2 253681828 FMZWUJWDVRSFBN-JWHSDRIISA-N 409.311 4.686 0 1 HJAF Cc1nc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n1 261179344 VRHPWTXAFBFMAY-CTYIDZIISA-N 414.859 4.556 0 1 HJAF Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)c3ccccc3)cc2F)cn1 473179113 XRIZDPYYTGORSW-UHFFFAOYSA-N 419.481 4.506 0 1 HJAF O=S(=O)(O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094774 GSFVPOKNENTIAS-UHFFFAOYSA-N 410.295 4.514 0 1 HJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158016 GOERHDDUBUQERS-UHFFFAOYSA-N 402.425 4.954 0 1 HJAF C[C@]1(c2oc3cccnc3c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331766 FKJGLUYSGNSXNZ-JPYJTQIMSA-N 404.397 4.529 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 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COc1ccc2c(c1)CCC=C2Cc1nc2cccc(I)c2[nH]1 587934758 NRXRRGCSBHIZRU-UHFFFAOYSA-N 416.262 4.748 0 1 HJAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 621434317 BYOGAURDVSULBX-JKIFEVAISA-N 416.447 4.970 0 1 HJAF CCOC(=O)[C@]1(c2ccccc2Cl)c2ccsc2CCN1Cc1cccn1C 962397112 JIWUNFUWIAARLZ-QFIPXVFZSA-N 414.958 4.605 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccccc3O)cc2)N1 962984889 AAJQFNJWQQUBML-UWJYYQICSA-N 415.823 4.679 0 1 HJAF COCCn1cc(-c2ccnc(Nc3ccc(OC)c(F)c3OC)n2)c2ccccc21 1857629585 JEFKKSLNRNARFL-UHFFFAOYSA-N 422.460 4.645 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)cn3)cc21 1857760124 WNNQSUDKRDMZHR-UHFFFAOYSA-N 409.829 4.691 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356319662 VKYNIUNDLMIOEQ-FHADEZKLSA-N 402.575 4.983 0 1 HJAF CC1=C[C@H](CN2CCOCC2)[C@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356514397 DZPWFOXQGMGBGX-ZLNRFVROSA-N 409.574 4.774 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4C=C[C@@H]13 2356564075 SZDAYVWJPZICBE-HKIYKURRSA-N 414.678 4.663 0 1 HJAF CC1=CC[C@H](C(C)=Cc2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)CCC1 2356726327 UYUFFQJDKXXQKP-XCBAANBCSA-N 419.587 4.879 0 1 HJAF Cc1ccc(C(=O)Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 61925721 BCUYPBIODKWPRI-MRXNPFEDSA-N 405.445 4.965 0 3 HJAF C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCOc2ccc(F)cc2)C1=O 3049845 LIGHEMNXAIXIJO-SFHVURJKSA-N 402.469 4.867 0 1 HJAF COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCCC2)cc1 13761532 SXEVCCXWQGAXSQ-VWLOTQADSA-N 422.477 4.550 0 1 HJAF O=C(Nc1cnc2ccccc2c1)N1CCN(c2ccccc2C(F)(F)F)CC1 28099044 YTHWQVOHHMPMBH-UHFFFAOYSA-N 400.404 4.608 0 1 HJAF CC(C)=CCc1c([C@H]2CCc3ccc(O)cc3O2)cc2c(c1O)OC(C)(C)[C@H](O)C2 49181805 FEZVNZBNOAECEC-IFMALSPDSA-N 410.510 4.747 0 1 HJAF COc1cc(CSCCNC(=O)c2c(Cl)cccc2Cl)cc(OC)c1 49802452 KJKUXNWYNNAGNA-UHFFFAOYSA-N 400.327 4.674 0 1 HJAF Oc1ccc2[nH]cc([C@H]3CC[C@H](CCN4CCN(c5ccccn5)CC4)CC3)c2c1 100031637 GQXBPSLBHRQMDR-BGYRXZFFSA-N 404.558 4.755 0 1 HJAF Cc1ccccc1[S@](=O)c1nc(-c2cnn3ccc(Br)cc23)cs1 103299151 WEDZUJXFVYHEDW-XMMPIXPASA-N 418.341 4.695 0 1 HJAF CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 116564005 MVWBRJCSHVIQES-CUJCATKOSA-N 411.589 4.806 0 1 HJAF Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)c(Cl)c2C2CC2)c(F)c1 117425358 RFTNCPFRYIPUHX-UHFFFAOYSA-N 417.897 4.832 0 1 HJAF NC1(c2ccc(-c3nn4c(-c5ccn[nH]5)cnc4cc3-c3ccccc3)cc2)CCC1 146849036 FMMNWMAHMAKODB-UHFFFAOYSA-N 406.493 4.791 0 1 HJAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCC[C@@H](C)C1 169331286 GNZNTVYPOYQFEC-CVEARBPZSA-N 414.933 4.694 0 1 HJAF O=C(O)CCCCOc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1 204760868 JEOGNFQPIJGCDL-UHFFFAOYSA-N 405.376 4.791 0 1 HJAF CC(=O)N1CCc2c(nc([C@@H]3C(C)=Cc4ccccc43)nc2NCc2ccccc2)C1 261178879 VOGXZKBBERDQIU-XMMPIXPASA-N 410.521 4.542 0 1 HJAF CC(C)(C)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953421 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HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(C(F)(F)F)c2)N1 587709653 CAFCWGAREFTRAH-BCTVWOGZSA-N 404.201 4.936 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3ccnc3)cc2)N1 587752100 BRFKHFNEFYDOTB-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF COc1ccc(OC)c2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587805007 CNSAMFYITPMGIV-GTJPDFRWSA-N 420.322 4.720 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587833818 IHPDWGPRGQPSLR-ASSNKEHSSA-N 420.322 4.937 0 1 HJAF CCOC(=O)[C@H](CC)Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1 653801646 UPXIEZVEATXWCD-MRXNPFEDSA-N 407.432 4.767 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccc(Cl)nc1)(c1cccs1)N(C)[C@H](C)C2 962571644 IXUMEZQGZDNFSD-PEBXRYMYSA-N 414.958 4.982 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2nc(-c3ccc(OC)cc3)no2)N1 962963859 XFUBVJUBSBYMND-GYCJOSAFSA-N 402.498 4.609 0 1 HJAF CN1C[C@@H](c2c[nH]c3cc(Br)ccc23)NC[C@@H]1c1c[nH]c2ccccc12 2356792115 JIQDATGCBHDHPV-LEWJYISDSA-N 409.331 4.729 0 1 HJAF Cn1c(=O)c2cc(NC(=O)Cc3cccc4ccccc34)ccc2n1-c1ccccc1 61907833 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4.578 0 1 HJAF C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@H](C2=CC(=O)O[C@H]2O)OC1 40934138 FPUWYDSKOKLTDH-FRMRWZTPSA-N 400.559 4.916 0 1 HJAF in-vivo CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCN1CCCCC1 45195691 OYXNUCBYFCBPOS-NIGQNHAHSA-N 422.356 4.620 0 1 HJAF Cc1ccc(C)c(CC(=O)Nc2onc(-c3ccc(F)cc3)c2-c2ccncn2)c1 117423010 ZWFVNKUZVUUGFK-UHFFFAOYSA-N 402.429 4.736 0 1 HJAF O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 137016739 IWSXNGMJGVZSIZ-CLOIUZTFSA-N 416.558 4.759 0 1 HJAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(C(F)(F)F)c1 169723957 ZBTLHKWMVRDATP-NVXWUHKLSA-N 411.420 4.668 0 1 HJAF Cc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 473087954 MVXBOLWBFYJUIN-MOPGFXCFSA-N 414.431 4.782 0 1 HJAF CC(C)(C)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587112825 NWSCRXGDSRVCAQ-UHFFFAOYSA-N 400.408 4.581 0 1 HJAF Fc1cc(Cl)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119429 WBHKYRNVXUENKQ-UHFFFAOYSA-N 411.584 4.576 0 1 HJAF C[C@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334360 MBYRCAFPSPICIC-OFNKIYASSA-N 406.388 4.821 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 587342521 FHJWABIUOYICSK-DEOSSOPVSA-N 417.480 4.925 0 1 HJAF COc1ccc(OCc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)cc1 587398686 GIBLGGNXUIHCCT-DEOSSOPVSA-N 419.477 4.880 0 1 HJAF CC[C@H]1C[C@@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587436402 PYBDBOWHHNYQIN-FNJBUYFMSA-N 415.530 4.770 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2F)nc1 587567676 IRXYEKIYBZIJOS-REWPJTCUSA-N 414.392 4.691 0 1 HJAF CCCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610849 HGRRHWLEECTFDT-WZONZLPQSA-N 424.522 5.246 0 1 HJAF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2c(C(=O)O)cccc12 587637164 CXAVOKPGKWKNHD-UHFFFAOYSA-N 406.207 4.611 0 1 HJAF COc1ccc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 587661061 LWXWRCNDETUHKE-UHFFFAOYSA-N 424.435 4.657 0 1 HJAF C[C@@H](c1ccccc1)N1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587768702 MERGYMPRJSYNMC-LRAJWGHMSA-N 403.339 4.785 0 1 HJAF Cc1noc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 587789618 ADXYEMIXHZIXLO-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587831240 WPOCOQDSDVBHRT-LHSJRXKWSA-N 420.322 4.848 0 1 HJAF COC(=O)c1cc([C@]2(c3ccccc3)c3ccsc3CCN2Cc2ccco2)c[nH]1 962709898 KJLGEYOEYZTRRT-XMMPIXPASA-N 418.518 4.806 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356647494 PDEKSQPGUZKWQD-MGYOTSENSA-N 404.591 4.775 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](/C=C/OC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)C[C@@H]2O 39143667 DOUGJCUAIIVOOP-XFTRUYOKSA-N 416.558 4.818 0 1 HJAF COc1ccc(NC(=S)NCCCNc2ccnc3cc(Cl)ccc23)cc1 40379722 AUKRPVQDZHJUGQ-UHFFFAOYSA-N 400.935 4.685 0 1 HJAF c1ccc(CCN2CCc3c(n(CCCN4CCCCC4)c4ccccc34)C2)nc1 40465248 DBNOIDFAXDSPBG-UHFFFAOYSA-N 402.586 4.513 0 1 HJAF COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3CCC(C)CC3)n2)cc1 82066082 QKDXLASERXYTTE-UHFFFAOYSA-N 423.492 4.660 0 1 HJAF Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2CCCCC2)c1 82146542 DRUGUEBLNCOQLL-UHFFFAOYSA-N 418.516 4.872 0 1 HJAF CN(C)C[C@H]1C[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 100619016 LYDQDILYJZLAGF-IZAXUBKRSA-N 413.525 4.826 0 1 HJAF CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166426596 IATHUAZCXUEQNB-UHFFFAOYSA-N 403.457 4.646 0 1 HJAF CCN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 299885322 VHFHIWNYFVGNIW-DPDLHNOKSA-N 417.557 4.590 0 1 HJAF Cc1ncc(C2([C@H](C)NC(=O)c3c(F)cccc3Cl)CCC(F)(F)CC2)cn1 473194383 AWXJRWFNWOWRDT-LBPRGKRZSA-N 411.855 4.843 0 1 HJAF COc1ccc2c(C)c(CCc3nc4c(Cl)c(Cl)cnc4[nH]3)c(=O)oc2c1C 586918777 SYVYQOVMQBTVDQ-UHFFFAOYSA-N 418.280 4.782 0 1 HJAF CC[C@@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348902 HSDJMMWNYUOBED-UPVQGACJSA-N 408.425 4.910 0 1 HJAF O=C(O)CCC(=O)CC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 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C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCCC3)s2)N1 587855359 VDQZUNZWTVMXJH-GTNSWQLSSA-N 410.356 4.659 0 1 HJAF O=C(c1cc(C2CC2)nc2onc(C3CC3)c12)n1nc2cc1Oc1ccc(F)cc1-2 587874682 HRXUBMRQZSJCBL-UHFFFAOYSA-N 402.385 4.774 0 1 HJAF Ic1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951745 ZMKOKDUROJQRHX-UHFFFAOYSA-N 408.283 4.653 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@@]1(c1cccnc1)c1ccc(F)c(C)c1 961324675 NAJUUSRHWPNTIM-SANMLTNESA-N 420.528 4.724 0 1 HJAF Cc1cc(OCc2nnc(SCc3cccc(F)c3)o2)cc2oc(=O)cc(C)c12 1857765296 CYPODZOEDIQIAH-UHFFFAOYSA-N 412.442 4.803 0 1 HJAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]cc4c3[C@H]2C[C@@H](C)CCC4)ccc1O 2356437215 LNMJLWPACMNBRF-DQLDELGASA-N 421.537 4.979 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@@H](C2=CC(=O)O[C@H]2O)O[C@@H]1O 13555751 FIVWLOUIQSKMNV-ZTHFOSLWSA-N 402.531 4.631 0 1 HJAF O=C(NC[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1)c1ccc(OC(F)(F)F)cc1 28571294 ONHOBQYHAZQYBX-CEWLAPEOSA-N 421.459 4.725 0 1 HJAF CCCCCC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)O)cc1OC)cn2C 29482010 PVUUUGXKGSSVMK-UHFFFAOYSA-N 408.498 4.995 0 1 HJAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 38346687 VXCXQHXZHNKMDG-VWLOTQADSA-N 412.533 4.840 0 1 HJAF CC(C)CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cs1 40865589 CQUZSMJHHZEHAF-UHFFFAOYSA-N 410.524 4.735 0 1 HJAF NC(=S)Nc1cccc(OCCCCCOc2ccc(Br)cc2)c1 40955580 NVEOLCUPXAAPJN-UHFFFAOYSA-N 409.349 4.733 0 1 HJAF O=c1cc(NCCCNCc2cccc(C(F)(F)F)c2Cl)[nH]c2ccccc12 45303136 OCOUHJFMKMQOKY-UHFFFAOYSA-N 409.839 4.792 0 1 HJAF O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Br)cc2)c2ccccc12 45339697 RDUIYTYRYGHTGS-UHFFFAOYSA-N 420.266 4.609 0 1 HJAF O=c1cc(Oc2ccc(F)cc2)ccn1-c1ccc(OCCN2CCCCC2)cc1 66262551 HOZLKBNZZMDTTK-UHFFFAOYSA-N 408.473 4.634 0 1 HJAF CCOC(=O)[C@](C)(Cc1cccnc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115651267 LGNQLODAJVVOQC-HSZRJFAPSA-N 420.900 4.508 0 1 HJAF CSc1cc(C(F)(F)F)ccc1C(=O)N[C@]1(c2ccccc2)CCCN(C)C1 141097584 FFFDRLLGOBXVQM-HXUWFJFHSA-N 408.489 4.778 0 1 HJAF COc1cc2c(cc1Br)-c1cc3c(O)cc(=O)oc3cc1OC2(C)C 169318458 ULYGXJAITFKDGE-UHFFFAOYSA-N 403.228 4.564 0 1 HJAF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2ccc(C)cc2)c2ncccc2c1 169327358 HONZFHOUQWBMBD-HYSAVQALSA-N 403.526 4.962 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C\C[C@H](O)/C(C)=C/CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 169363898 BEGZWCKKXIZDII-SITDKUMESA-N 404.547 4.816 0 1 HJAF Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ccc1OCC(C)C 205150338 OKXLHEMRMSXABA-PKOBYXMFSA-N 412.534 4.974 0 1 HJAF N[C@H]1CC[C@H](Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1 254120034 ORAWIJDEGBHDCO-SHTZXODSSA-N 409.513 4.506 0 1 HJAF COc1cc(NC(=O)c2csc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC 473247140 AKJMXKSFCNXVFO-UHFFFAOYSA-N 409.467 4.570 0 1 HJAF O[C@H]1C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21 586904327 TWQYMSSBEAOMBY-YPMHNXCESA-N 413.193 4.793 0 1 HJAF CCOc1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)cc(Br)c1OC 586978453 SLYJIGWEEKPRTI-PLNGDYQASA-N 413.275 4.779 0 1 HJAF C[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130926 ZMDYTLBYRBPELH-BYPYZUCNSA-N 408.714 4.735 0 1 HJAF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnncc4[nH]3)c12 587167652 AYWOMYQUXJPYOV-UHFFFAOYSA-N 413.460 4.894 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587475605 QCBYWQADBAQJGF-BJKOFHAPSA-N 415.530 4.860 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1cccc(OCOC)c1)CC2=O 587488899 LCAQNMBPOSBNLG-VWLOTQADSA-N 419.477 4.631 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cccnc3)cc1)CC2=O 587490906 PWXFSOYZHKSQBM-QFIPXVFZSA-N 403.434 4.665 0 1 HJAF CCOc1ccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656610 NZSNAPKNAPFMTO-UHFFFAOYSA-N 420.415 4.623 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N1 587737593 YJQSCMBQZANXIP-MPBGBICISA-N 418.285 4.596 0 1 HJAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587741036 LNDYFQNYJSBNKT-ZSEKCTLFSA-N 421.354 4.672 0 1 HJAF Cc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587756762 FJIRQRXEUSTMJM-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCN(Cc3ccccc3)C2)N1 587762298 SFAQOPIIYBPGHX-NVAPDCRFSA-N 403.339 4.686 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccnc3O)c2)N1 587767271 AGVXFVJHNWNYSK-MPBGBICISA-N 413.290 4.979 0 1 HJAF Cc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc12 587777637 IOCKHMKCDHDBNW-WLRWDXFRSA-N 401.279 4.774 0 1 HJAF CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806998 KMEABMPRDHHVCZ-FKIZINRSSA-N 406.295 4.563 0 1 HJAF CCCCOc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br 587962798 ZIGVCGMSKHUDMD-UHFFFAOYSA-N 417.303 4.722 0 1 HJAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nc(Cc4ccccc4)no3)cc2)CC1 653787782 YUAGWZVWEHYNLW-IYARVYRRSA-N 419.481 4.661 0 1 HJAF COc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962770989 ULVQAHHUTHRRCD-OFNKIYASSA-N 411.423 4.633 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccs1)c1oc2ccccc2c1N 963637469 SIHVCIWABFZEFI-SHACYNPGSA-N 420.534 4.920 0 1 HJAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N3CCCCCC3)nc12 1772612940 GGVIPWZFXUAGPT-UHFFFAOYSA-N 404.923 4.582 0 1 HJAF N=C(N)NCCCCCCCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 1772656988 OYFVDGUDKMDOQC-UHFFFAOYSA-N 416.013 4.815 0 1 HJAF O=C(CCCN1[C@H]2CC[C@@H]1C[C@@](O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 1857553895 CXQUOFVDYCOSEZ-SGRGSNTQSA-N 401.909 4.957 0 1 HJAF CCOC(=O)c1c(OC)ccc2c1CCCC=C2c1cc(OC)c(OC)c(OC)c1 1857564865 KDDFTMVHVWHOFZ-UHFFFAOYSA-N 412.482 4.666 0 1 HJAF Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2nn(CC3CC3)cc2c1=O 1857638766 LIACRCHJSNGBEB-UHFFFAOYSA-N 420.513 4.732 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356442420 BNXKKGNFJUFIND-QSWYCFFASA-N 404.591 4.775 0 1 HJAF CC1=C(CCC(=CC=CC2=CC(=O)O[C@@H]2O)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 2356521062 IECRVGMSVPJFRV-VTZPFEBOSA-N 400.559 4.986 0 1 HJAF O=C(NCCCCc1ccccc1)c1ccccc1CNCCCc1ccc(O)cc1 13589108 RKSIDDXPVSIRCB-UHFFFAOYSA-N 416.565 4.867 0 1 HJAF CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 13783489 QMBJSIBWORFWQT-YMSCAMSISA-N 404.934 4.752 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@]1(O)c3ccc4c(c3O[C@H]21)C=CC(C)(C)O4 15217339 CMHGFGMNRHHGSN-NOZRDPDXSA-N 406.478 4.799 0 1 HJAF biogenic O=C1O[C@H](c2ccc(F)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 26010488 XZDCQRVDGXVXAX-SJLPKXTDSA-N 408.216 4.528 0 1 HJAF CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 26150732 PPAUYLKOXHOIRK-QHCPKHFHSA-N 406.482 4.501 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)OC[C@@]4(C)[C@@H]3CC[C@]12C 26395643 LGKOHXBHQYUHPI-DNMTXPOLSA-N 404.595 4.554 0 1 HJAF CC(C)OC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28344464 BOKOHHZMTGTPPK-UHFFFAOYSA-N 406.467 4.646 0 1 HJAF NC(=O)c1ccc2nc(-c3ccc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c3)[nH]c2c1 34341626 MCIKWFRFZGHOFF-UHFFFAOYSA-N 408.801 4.683 0 1 HJAF O=C(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 39741170 FUGGMNXTBZFFDM-UHFFFAOYSA-N 409.423 4.791 0 1 HJAF CC(=O)N(C)c1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1 43020003 AHFWDQSNXFITEU-UHFFFAOYSA-N 404.499 4.539 0 1 HJAF CO[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 56834578 ZRXFZVFGINBCMU-HSZRJFAPSA-N 401.572 4.701 0 1 HJAF COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCN(C)CC2)cc1 64573281 YETWFEXQBMYMRO-UHFFFAOYSA-N 408.325 4.709 0 1 HJAF CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72135650 AMMUGGRFIMMQNM-SAHHRFNVSA-N 416.650 4.971 0 1 HJAF O=C1C[C@H](c2ccccc2)Oc2cc(OCc3cn(Cc4ccccc4)nn3)ccc21 84688417 IYXZYVAQUXISEQ-XMMPIXPASA-N 411.461 4.612 0 1 HJAF O=c1c([C@@H]2C3=C(O)Oc4ccccc4C3=Nc3ccccc32)c(O)oc2ccccc12 103914536 LXBHHQWEWXBBHT-IBGZPJMESA-N 409.397 4.927 0 1 HJAF CCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143160373 OJJVDLJKYRQHKJ-UHFFFAOYSA-N 418.371 4.837 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cc(F)ccc2O1 144420895 NYPXDWCWENGMIZ-LJQANCHMSA-N 411.477 4.915 0 1 HJAF O=C(CCC(=O)c1ccccc1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166967935 NMDSTBPJRPQEOR-UHFFFAOYSA-N 413.477 4.836 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3F)cc1[C@@]21N=C(C)C(N)=N1 169708756 YGUANPLEQMZXTA-WQMGSUCASA-N 409.480 4.748 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587016577 YNNNRVQNRDKBHD-UHFFFAOYSA-N 411.870 4.728 0 1 HJAF Cc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Br 587029138 IFUGKNDGEGYJQP-UHFFFAOYSA-N 415.316 4.784 0 1 HJAF COc1ccc(Cn2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)nn2)cc1 587105210 SSALTFDDMGVWOG-UHFFFAOYSA-N 418.456 4.762 0 1 HJAF CN(C)C(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138557 MYWZFRKEBRSOCG-UHFFFAOYSA-N 421.403 4.575 0 1 HJAF CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587346236 IIEZLQRQFVUENV-WIOPSUGQSA-N 417.436 4.861 0 1 HJAF COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587346900 CHHTVORKZKQGFO-VWNXMTODSA-N 408.425 4.606 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OC(C)=O)c(OC)c1)CC2=O 587459890 ISIOWUKIOYDDEQ-SFHVURJKSA-N 404.846 4.639 0 1 HJAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)CC2=O 587465261 GFHZSCUNMLEPPG-FRHQNKJESA-N 417.452 4.882 0 1 HJAF O=C1C[C@](c2ccc(Oc3ccccc3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587529487 OILGBCTZGGAMHT-SANMLTNESA-N 416.473 4.529 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 587550214 VRXWFYHEMBOFJO-XLIONFOSSA-N 420.808 4.799 0 1 HJAF C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558338 WPDBVGSBDRQVLN-YLJYHZDGSA-N 401.340 4.683 0 1 HJAF C[C@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567612 HYOIXGYNKVHPRT-XUZZJYLKSA-N 416.408 4.594 0 1 HJAF CC(C)(C)OC(=O)CC12CC([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)(C1)C2 587591692 DIXZGNBRKPKGNO-BYTWGRQSSA-N 422.477 4.625 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc(O)ccc1-c1ccc(O)cc12 587605521 AMKLWTPHTVJLPM-HSZRJFAPSA-N 424.408 4.689 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(O)c2)N1 587714053 FTZUCZZJHRVSCS-BCTVWOGZSA-N 402.210 4.519 0 1 HJAF Cc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587744708 SNMIQKFLXMOCRJ-XCLFUZPHSA-N 405.311 4.675 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587745997 YBQWNRHUUCECJL-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF Cc1cccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 587756851 FXTNNRALKOEHIS-ZUOKHONESA-N 400.295 4.706 0 1 HJAF COc1ccccc1-c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)on1 587791026 DZMGIVNGNNBIAL-GIPWTMENSA-N 417.278 4.875 0 1 HJAF CCOc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587869223 DAANERGJCUKHMB-UHFFFAOYSA-N 422.432 4.616 0 1 HJAF CCCOc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br 587970125 ZDWDYUKHSHVLCC-RHFQXMJRSA-N 403.320 4.761 0 1 HJAF COC(=O)c1[nH]c2cc(OC)ccc2c1[C@H]1c2ccsc2CCN1Cc1ccco1 962709586 OCWQTYJZBXSWNV-JOCHJYFZSA-N 422.506 4.765 0 1 HJAF Cc1ccc([C@]2(c3cnccc3C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962759469 BLGYWHRAVSXDHE-GGAORHGYSA-N 410.439 4.636 0 1 HJAF COc1ccc(OCc2ccccn2)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963114632 WAYHXXSGPWMWRD-NBGIEHNGSA-N 404.485 4.918 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]2(C(=O)c1ccc(F)cc1)c1ccc(F)cc1 963260192 WPRQJJYGJDALET-HSZRJFAPSA-N 413.851 4.899 0 1 HJAF O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccccc3)nn2)c1 1857572625 TZQPHLZXAKFVEO-UHFFFAOYSA-N 424.504 4.767 0 1 HJAF O=C1Cn2c(nc3ccccc32)-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2N1 1857603452 MEBJKKMCGOTHED-UHFFFAOYSA-N 402.841 4.561 0 1 HJAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356734850 AELZDZIWKOZSSW-NAMAPOAHSA-N 418.574 4.709 0 1 HJAF C[C@]1(C(=O)NC2CCCCCC2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61927149 ITXBITITJZXTOH-AREMUKBSSA-N 404.554 4.726 0 3 HJAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCc2ccc(F)cc2)cc1 773980 RKGOOKDKCJJGHV-UHFFFAOYSA-N 406.413 4.722 0 1 HJAF C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)C1 4134264 RIWFNDWJYRDXTG-HHLQZUTDSA-N 415.537 4.583 0 1 HJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)O[C@H](C)[C@@H](C)C2=O 13382717 GDBZTZISXRIMID-IIDMSEBBSA-N 406.478 4.942 0 1 HJAF biogenic CCOC(=O)c1sc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c2c1C 13761893 LRMAEKQVAULXCZ-UHFFFAOYSA-N 404.491 4.658 0 1 HJAF O=c1cc(Cc2c[nH]c(SCCCCCCCCc3ccccc3)nc2=O)cc[nH]1 27313797 NNSFUUVCFFWYKP-UHFFFAOYSA-N 423.582 4.724 0 1 HJAF COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(-c2ccc(F)cc2)s1 34231565 LXPNGLWIJUJZMM-NLSFWIRASA-N 411.498 4.611 0 1 HJAF CC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3 35087079 QOKTYKYQVJTQJT-UHFFFAOYSA-N 409.869 4.981 0 1 HJAF CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 38838195 ZIITVQOTJQQBNL-BCYJJVOOSA-N 403.588 4.536 0 1 HJAF COc1cc2c3c(c1OCc1ccccc1)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 40394947 YTPZPOLQLHGGBC-HXUWFJFHSA-N 415.489 4.755 0 1 HJAF CCC(=O)N(CCCCCCCCCN)C1CCN(CCc2ccccc2)CC1 66113847 YBGCQLUWTMAUAU-UHFFFAOYSA-N 401.639 4.622 0 1 HJAF Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1 84652486 KEOHOXIMLALKHI-UHFFFAOYSA-N 407.949 4.819 0 1 HJAF O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5cccc(Cl)c5)c4)CC3)c2o1 95544023 UCRCPOHUGHGPRU-UHFFFAOYSA-N 419.912 4.764 0 1 HJAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2cc(OCCCO)ccc21 95574200 PDSVIRQLZJIRRB-UHFFFAOYSA-N 409.432 4.799 0 1 HJAF O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1 96285742 HPGYXBMGZJDAJR-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc(CC(=O)O)cc4)n[nH]c2-3)CC1 100751730 BTBLVKQZYNTQOX-OQIWPSSASA-N 415.537 4.943 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccc(C)cc23)C(F)(F)F)c(C)c1 103253852 UDQPQRQPOLSCKG-IBGZPJMESA-N 424.488 4.853 0 1 HJAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(Br)c1 104056477 ZSBVCTJMHNZJDD-ZDUSSCGKSA-N 418.316 4.881 0 1 HJAF CCOC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1 114594320 UHBSWYBBNFQLLP-UHFFFAOYSA-N 409.916 4.841 0 1 HJAF CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146723537 RRTINPRKKRIIMO-UHFFFAOYSA-N 409.392 4.563 0 1 HJAF CC[C@@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 168356875 IADBLMLHTCHVGC-LJQANCHMSA-N 412.392 4.731 0 1 HJAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCCN3)c2c1 169333982 SEULJRPPRODQBH-MEBBXXQBSA-N 422.369 4.847 0 1 HJAF COc1cc(-c2cc3c4c(Cl)cccc4n(C(C)=O)c3nn2)cc(OC)c1OC 299828947 YBFIRYGLTMSWMB-UHFFFAOYSA-N 411.845 4.591 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299880294 MAPXQIJRDUNXME-MLDBQTBOSA-N 416.562 4.519 0 1 HJAF O=C(c1ccc(Cl)cc1)[C@@H](CSCc1ncccn1)n1cnc2ccccc21 473090889 BACUMWOHGZEEJD-LJQANCHMSA-N 408.914 4.837 0 1 HJAF Cc1cc(Cl)cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586970033 SLGMPDGXHDGLDO-UHFFFAOYSA-N 400.847 4.596 0 1 HJAF CCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1Br 586976114 CTLXGNAPCHRVDI-UHFFFAOYSA-N 424.302 4.614 0 1 HJAF O=C1C[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)c2c(Br)cccc2O1 587003044 JHZCAALMJGXPHW-LLVKDONJSA-N 408.255 4.509 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587027001 OLBNDDOJGBTQEC-JQFCIGGWSA-N 400.935 4.748 0 1 HJAF COc1cccc(-c2cc(C3C(=O)OC(C)(C)OC3=O)nc3c2oc2ccccc23)c1 587365214 DUXHIXVXROODTB-UHFFFAOYSA-N 417.417 4.576 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587379432 UVDWSIUOACCJJR-HTAPYJJXSA-N 401.890 4.681 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cccc(C(=O)O)c3)cc1)O2 587400475 PUWYZWDKTLHNPM-JOCHJYFZSA-N 403.434 4.561 0 1 HJAF CCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587548755 XRAYCXPUYFFSGD-SIKLNZKXSA-N 424.836 4.925 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC(F)(F)F 587552678 BEDHBCDYBDJRIP-XLIONFOSSA-N 402.324 4.994 0 1 HJAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC 587598741 UYNYUNDYZIIOJV-XUZZJYLKSA-N 406.434 4.893 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)o1 587615502 XPVYETQPRQZLLW-RXVVDRJESA-N 418.430 4.629 0 1 HJAF COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587690958 AJLOIUFSXHHYKE-LZVRBXCZSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728230 ACTYZDNSKOBQFK-WLRWDXFRSA-N 409.274 4.506 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnc2)N1 587752043 BKQHLLOHQUETLQ-ZUOKHONESA-N 400.295 4.572 0 1 HJAF Cc1nc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)no1 587790494 CHXYVDOZHZHIGM-MLCYQJTMSA-N 402.267 4.570 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)ccc1OC 587864884 SAJMHJKPFONJOG-UHFFFAOYSA-N 420.387 4.673 0 1 HJAF CC(=O)O[C@@H]1[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@H]2[C@H]1OC(C)=O 685935479 ZRIFHZYKUAYXCS-MTCKXAQZSA-N 402.531 4.881 0 1 HJAF biogenic,in-vitro Cc1ccc([C@]2(c3ccc(F)c(F)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1F 963025082 JJWCVMFCLKTYME-SGANQWHYSA-N 422.450 4.758 0 1 HJAF COc1cc(-c2nc(-c3ccc(Cl)c(OC)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772581010 AXRFPZWPWOAYCB-CQSZACIVSA-N 413.905 4.552 0 1 HJAF Nc1ncc(C2CCCCC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772636513 YOIMROKCYCZASL-UHFFFAOYSA-N 404.489 4.843 0 1 HJAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccc(O)cc4)cnc3[nH]2)c1)N1CCCC1 1857547651 AYZSUTKKFBYQKJ-UHFFFAOYSA-N 417.444 4.764 0 1 HJAF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)c1cccs1 1857548846 LALRFCHTTPVPCO-UHFFFAOYSA-N 407.447 4.850 0 1 HJAF CCCC[Si@]1(C)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 1857627364 ZCGWLRACIGAJIP-MUUNZHRXSA-N 418.453 4.972 0 1 HJAF CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C(C)C)[C@@H]2C=C(C)CCC=C(C)CC[C@@H]2[C@@]1(C)O 2356798067 OVEVGFJFJBVGGZ-NLCRGRMESA-N 406.563 4.586 0 1 HJAF CS(=O)(=O)Nc1cccc(-c2nc(Nc3ccc(F)cc3)c3ccccc3n2)c1 4257442 ASXMTLMYAFYKNL-UHFFFAOYSA-N 408.458 4.551 0 1 HJAF CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 26498560 RGLIJXVVPUWUJQ-UHFFFAOYSA-N 403.523 4.718 0 1 HJAF Cc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@@]32C)c1 26951866 OEHMLOUHECZJOD-JRMIMQNLSA-N 406.570 4.847 0 1 HJAF CCO[P@@]1(=O)OC(c2ccccc2)=C(I)c2ccccc21 34451565 OBUYWAYYJNQJFO-OAQYLSRUSA-N 412.163 4.833 0 1 HJAF COc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 35795210 DITBYCZXXJKQSP-HNNXBMFYSA-N 405.292 4.882 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3C)[C@H](O)c3ccccc3)CC2)cc1 39238998 UIURCITXSXLLPS-RRPNLBNLSA-N 416.565 4.596 0 1 HJAF Cc1cc2c(cc1Cl)S[C@H](C(=O)c1ccc(Cl)c(Cl)c1)NS2(=O)=O 40380437 PCOWAPVQYNMIMP-OAHLLOKOSA-N 422.742 4.548 0 1 HJAF CCn1c2ccccc2c2cc(NC(=O)CCc3nc(C4CCOCC4)no3)ccc21 40425171 BIBAWIYLLKCXHN-UHFFFAOYSA-N 418.497 4.663 0 1 HJAF Cn1cnc2nc(NCCc3ccccc3)nc(NCc3cccc4ccccc34)c21 45321767 JUFIZTSSPOKZHT-UHFFFAOYSA-N 408.509 4.783 0 1 HJAF O=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1)c1ccc(Br)cc1 45347667 RMNPUMHZRWQEPX-UHFFFAOYSA-N 424.254 4.663 0 1 HJAF Cc1cc(OCCCN2CCC[C@@H](N(C)C)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49046872 XQUIDTKKCWMBJK-LJQANCHMSA-N 424.564 4.781 0 1 HJAF COc1cc(OC)cc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)c1 82067330 LTBPWIGHGAJQIG-UHFFFAOYSA-N 405.376 4.917 0 1 HJAF CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(O)cc(O)c2)cs1 82194859 RTFUNUJIKCJQKQ-FOIQADDNSA-N 417.575 4.523 0 1 HJAF COc1ccc(C(=O)N(CC[C@@H]2CCCN2C)C/C(C)=C/c2ccccc2)cc1OC 84604723 BKSVQXNMVYSZEC-JVIWHDFBSA-N 422.569 4.734 0 1 HJAF COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccc(F)cc2C)ccc1-n1cnc(C)c1 96282620 SZSKTZXFLXPROO-FQEVSTJZSA-N 417.488 4.821 0 1 HJAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)C[C@@H]2N3)cc1 100108872 WRRMNAWHQFUFNU-UBRQYEGLSA-N 401.485 4.773 0 1 HJAF O=c1[nH]nc(Cc2cccc(-c3cccc(CNC4CCCC4)c3)c2)c2c1CCCC2 167180877 NXKOUGYZNIACHY-UHFFFAOYSA-N 413.565 4.939 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CCC1 168876358 QNJDOVDHWZTXIL-IQGASKDCSA-N 410.602 4.666 0 1 HJAF Cc1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 221608763 MFPGWSJTFPFEPH-UHFFFAOYSA-N 410.452 4.846 0 1 HJAF CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC1 299806953 MYXKPHUMITWZRM-FIXSFTCYSA-N 423.553 4.840 0 1 HJAF CC(C)Oc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586938278 PUSHEJXXABUAOD-LJQANCHMSA-N 421.950 4.679 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 586972996 LSBZDTNLMZCNNM-HNNXBMFYSA-N 422.323 4.575 0 1 HJAF CCOC(=O)Cc1cccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1 586989695 POWLHZODSDNNJM-UHFFFAOYSA-N 423.468 4.848 0 1 HJAF O=C(Nc1nc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1)c1cccs1 587019928 SQIAMGITHKIJJH-UHFFFAOYSA-N 410.858 4.856 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)cc(F)cc32)[C@@H]1c1ccc(F)cc1 587330517 FTOVOJGFLHLKHV-NFBKMPQASA-N 412.363 4.846 0 1 HJAF COc1cc(OC)cc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587441586 HQWDXLXLLXKSBJ-BWKNWUBXSA-N 418.445 4.993 0 1 HJAF COC(=O)c1ccccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514326 XBMGVKFJOCRGAS-HSZRJFAPSA-N 401.462 4.849 0 1 HJAF Cc1cc(C)n(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587582391 PCNYYPLKVXZMKK-WIOPSUGQSA-N 412.445 4.898 0 1 HJAF CC(=O)SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605043 ARYSRDVCBCDTPN-REWPJTCUSA-N 406.459 4.529 0 1 HJAF CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)O[C@@H](C)C2 587614550 CITJFGBENLQXEZ-WXQUHVEVSA-N 418.445 4.817 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)cc2)N1 587745589 JWXFALUGIYOGIB-RCDICMHDSA-N 411.318 4.997 0 1 HJAF O=C(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1 587781613 LSJDFPTVPJYDIO-UHFFFAOYSA-N 402.294 4.886 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587790364 CHOHFHYKTXFNGQ-WIUDPPPLSA-N 417.322 4.616 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587828274 OKLWFHFXZNESTA-ZUOKHONESA-N 406.295 4.539 0 1 HJAF COc1cc2c(c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c1)O[C@@H](C)C2 587830306 DQSGZDBHKYWGRE-RMDKCXRXSA-N 406.295 4.544 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCc1ccccc1 587866452 FIERTVGBVBBTGF-UHFFFAOYSA-N 405.445 4.890 0 1 HJAF COc1ccccc1[C@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962770986 ULVQAHHUTHRRCD-NZQKXSOJSA-N 411.423 4.633 0 1 HJAF Cc1ccc([C@@]2(c3ccc(CN4CC=CC4)cc3)NCCc3c(C)ccnc32)c(C)c1 963075057 ZKKDADGQMRHZLZ-MUUNZHRXSA-N 409.577 4.816 0 1 HJAF COC(=O)c1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)c2)cc1 963637567 STFYYSRBTZMEFG-CPJLOUKISA-N 417.505 4.781 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(Cl)cn1 963903969 MEVNIXQABYCGMD-OXQOHEQNSA-N 416.905 4.769 0 1 HJAF CC(C)N1CCN(c2ccc(-c3n[nH]c4nc(-c5ccc(F)cc5)ccc34)cc2)CC1 1857613691 KBEDTWDKQUBYKO-UHFFFAOYSA-N 415.516 4.961 0 1 HJAF CC(C)[C@@H](NC(=O)c1ccccc1)c1nc(C(=O)NC2CCC(F)(F)CC2)cs1 1857744040 RECDTZQJVCGBHQ-QGZVFWFLSA-N 421.513 4.578 0 1 HJAF S=C1NN2C(c3ccccc3)=C[C@H](c3ccc(Br)cc3)N=C2S1 1857758575 HVBPVTXWTCOUNT-CQSZACIVSA-N 402.342 4.739 0 1 HJAF COc1ccc(Nc2nc3cc(-c4sccc4C)sc3c(=O)n2C)cc1OC 61895750 JKFIWLSPRINILJ-UHFFFAOYSA-N 413.524 4.793 0 3 HJAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccco1 169303384 OBNSNZOJCNKATN-UHFFFAOYSA-N 419.868 4.671 0 3 HJAF COc1ccccc1CNc1nc(-c2ccc(OC)c(OC)c2)nc2ccccc12 2500387 ZSBNGVSPGHEKKM-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)Nc4ccccc4)cccc2-3)cc1 13492143 QARVJSXJBXBDLJ-UHFFFAOYSA-N 410.433 4.941 0 1 HJAF CS(=O)(=O)c1ccc(-n2cnc(Cc3ccccc3)c2-c2ccc(F)cc2)cc1 13525075 OHEXYMHYEVINKK-UHFFFAOYSA-N 406.482 4.673 0 1 HJAF O=C1CO[C@@H](/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccccc2)N1 13904372 OZPICOPIYPCOIS-ZZGCUDHESA-N 415.333 4.994 0 1 HJAF N[C@H](COc1cncc(-c2ccc3c(F)nccc3c2)c1)Cc1c[nH]c2ccccc12 14962551 ILXYHGZZSULLPC-FQEVSTJZSA-N 412.468 4.866 0 1 HJAF O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc2[nH]ccc2c1 35943393 OQKKLDHMNWLVNH-KKUQBAQOSA-N 412.533 4.608 0 1 HJAF O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1c1cc(Br)ccc1O 40973216 QGXBZTILQIMNDJ-CYBMUJFWSA-N 404.207 4.959 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1 70454567 NEMWYOKGHGSVSC-CSDQFWCFSA-N 415.662 4.563 0 1 HJAF biogenic,in-vitro Cc1cc(C(=O)NC2CCOCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12 73142398 RSNQEQGPIGRJIY-UHFFFAOYSA-N 415.921 4.672 0 1 HJAF CCOc1ccc(CN(CC)Cc2cc(O)n3nc(-c4cccc(C)c4)cc3n2)cc1 103657247 GFMWGJJFTZZHTR-UHFFFAOYSA-N 416.525 4.831 0 1 HJAF CCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12 169326083 IGRKVLVTYXTSCH-UHFFFAOYSA-N 418.335 4.737 0 1 HJAF COc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1 207616588 BEASZOMEHCXYHY-UHFFFAOYSA-N 410.481 4.788 0 1 HJAF C[C@@H]1CC2=C(C1=O)[C@H](c1ccc(C#N)cc1)NC(=O)N2c1cccc(C(F)(F)F)c1 218638408 XVAKYHYZPKKXPJ-BLVKFPJESA-N 411.383 4.711 0 1 HJAF COc1cc2c(cc1OC)[C@@H]1[C@H](CCCN1C(=S)Nc1ccc(F)c(F)c1F)C2 299832932 XLXJZBOXDPPJGG-GIPWTMENSA-N 422.472 4.827 0 1 HJAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 299883197 QYANJGUVPLLCBQ-QLDFQNDZSA-N 422.569 4.769 0 1 HJAF COc1cc(OC)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586984346 FKUYSAMIEQELOV-IBGZPJMESA-N 416.319 4.528 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587044041 XVYULPZPYWZEGV-ZDUSSCGKSA-N 413.808 4.770 0 1 HJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587071105 WAPMBENWCCKHQV-JTQLQIEISA-N 404.770 4.550 0 1 HJAF COc1cccc(OC(=O)Cc2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1 587107068 NEZQTCVTYFJOQT-UHFFFAOYSA-N 409.441 4.911 0 1 HJAF CCCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587157287 SESHXKHQOCHLCB-BLVKFPJESA-N 404.283 4.595 0 1 HJAF CC(C)Oc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br 587163323 PHOKAMWZHXQUSI-UHFFFAOYSA-N 420.282 4.823 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)c1ccccc1 587217306 BWYHSNOIEHBNKG-LJQANCHMSA-N 424.273 4.984 0 1 HJAF C[C@@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344665 XNORNKIUYJQUHQ-ZCYQVOJMSA-N 414.436 4.991 0 1 HJAF COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587345276 INFIXYIBGZDFMJ-GBXCKJPGSA-N 423.440 4.537 0 1 HJAF COc1ccccc1N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350170 YZQCTIHKVVURRK-ILBGXUMGSA-N 419.452 4.548 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)CC(C(C)(C)Br)(C(C)(C)Br)O2 587373681 MUUJPHFKIZFAEK-UHFFFAOYSA-N 419.157 4.628 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4cc(C)ccc4C)c1Cl)[C@@H](C2)C3=O 587422338 PFQMLCZUYHSKQA-AOMKIAJQSA-N 408.885 4.948 0 1 HJAF COC(=O)c1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587547576 MLNFJQPKDWQJMN-GHTZIAJQSA-N 410.809 4.535 0 1 HJAF Cc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1C(F)(F)F 587553092 DRYCKOAZRBUPAB-CJNGLKHVSA-N 407.369 4.879 0 1 HJAF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623325 FMQLDLYTLXYCPA-UHFFFAOYSA-N 421.298 4.856 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2cccs2)nn1 587658400 OZEFQPJRLHJETH-UHFFFAOYSA-N 418.428 4.849 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2Br)N1 587676950 JGAMBXAVYHXRCZ-VPTHRUTESA-N 415.100 4.680 0 1 HJAF Cc1noc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587791055 FHHUONVLWFINQZ-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF CCc1noc(C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1 587799323 XZADIRDTEMYXPD-KMXRQWDNSA-N 408.315 4.621 0 1 HJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)c(C(F)(F)F)c4[nH]1)(C3)C2 587970151 ZVABQICATYQNLA-JIIRDLKHSA-N 413.237 4.991 0 1 HJAF O=C(Cn1cc(C2CC2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1 653899400 UCRHOVQGNLGJRV-UHFFFAOYSA-N 415.478 4.817 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1ccc(C(=O)c3ccccc3)cc1)N(C)[C@H](C)C2 962642510 VXSWCSXQCMJYRB-NSYGIPOTSA-N 401.506 4.901 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(c1ccc(Cl)nc1)c1nccs1 963280100 MGAAZZMWIHPEHS-SFHVURJKSA-N 420.763 4.734 0 1 HJAF Cc1cccc2c1[C@H](c1cccc3nc[nH]c13)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862511 AUBSQLQNMGYVAA-ZHRRBRCNSA-N 421.497 4.597 0 1 HJAF Cc1cccc2c1[C@@](C)(c1ccc(O)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862851 IGQGZDDIVSVHSB-HOYKHHGWSA-N 411.498 4.601 0 1 HJAF NC(=O)[C@H]1C[C@@H]1c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772652069 KUYJVLRNBSCRQU-SJORKVTESA-N 413.403 4.571 0 1 HJAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1 1857560521 BTZMBSYIWRQRBI-PUZFROQSSA-N 412.647 4.826 0 1 HJAF O=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1 1857561206 PNPKBIAKCJFKKO-UHFFFAOYSA-N 420.856 4.584 0 1 HJAF COc1ccc(-c2nn(-c3ccccc3)cc2Cn2cc(-c3ccccc3)nn2)cc1 1857761469 NIAYMYZUWHJLHF-UHFFFAOYSA-N 407.477 4.855 0 1 HJAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@](N)(CCCO)C2 2356354833 BAHKPRCIMGABLL-WOSFXNHJSA-N 401.591 4.559 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@@]2(C)[C@H]1C 2356653537 GGMWMNYLFJKWII-KAPXATSMSA-N 416.514 4.955 0 1 HJAF Cc1oc(-c2ccccc2)nc1Cn1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 6917787 MUJWYCKGMNYNPC-UHFFFAOYSA-N 410.477 4.722 0 1 HJAF O=S(=O)(Nc1cc(Br)cc2cccnc12)c1cccc2ccccc12 13815912 SVUASDLWEMZLDG-UHFFFAOYSA-N 413.296 4.951 0 1 HJAF CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2ccoc2)CC1 26176366 QZAKMHBYDIJYNW-UHFFFAOYSA-N 409.486 4.668 0 1 HJAF O=S(=O)(c1nc(-c2cccc(F)c2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F 28220065 OUWBROUPSQGGDN-UHFFFAOYSA-N 402.344 4.514 0 1 HJAF CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 28523181 ZXHXXGCJLDYHEB-IKVWTGGYSA-N 416.562 4.543 0 1 HJAF O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 28646958 MTHBTFJQVOZKMT-UHFFFAOYSA-N 406.357 4.530 0 1 HJAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@H]2CCCNC2)cc1 28823647 WZFHNCFOXFZLRR-FQEVSTJZSA-N 400.950 4.564 0 1 HJAF CN(C(=O)Cc1cs/c(=N\c2ccc(C(F)(F)F)cc2)n1C)c1ccccc1 29124748 PADGVMRTJWUPGJ-CLCOLTQESA-N 405.445 4.543 0 1 HJAF COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccccc2)ccc1-n1cnc(C)c1 43171169 RZRVOKNDQSZQTB-ZOXUKVPXSA-N 411.509 4.877 0 1 HJAF COc1cc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc(OC)c1OC 72184213 LARPEQYRRVXTOT-UHFFFAOYSA-N 422.403 4.676 0 1 HJAF O[C@H](c1ccc(Oc2ccccc2)cc1)c1nnc(Nc2ccc3c(c2)OCO3)s1 82078293 LMIZDMIANDNVPE-HXUWFJFHSA-N 419.462 4.884 0 1 HJAF COc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1nccc(-c2cccnc2)n1 96258666 KOGBNTSOPZVMIK-UHFFFAOYSA-N 415.428 4.682 0 1 HJAF COc1ccc(-c2[nH]c(SC)nc2-c2cc(OC)c(OC)c(OC)c2)cc1OC 96906255 SKVARJIABBFYOV-UHFFFAOYSA-N 416.499 4.509 0 1 HJAF CCN(CC)C(=O)[C@H]1Sc2ccccc2-c2c1c1ccc(OC)nc1n2CCF 96909213 VWTHBIPGVBNKLU-FQEVSTJZSA-N 413.518 4.697 0 1 HJAF CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OC(F)F 103539374 LKZXFKBEDVUQLO-QGZVFWFLSA-N 404.417 4.586 0 1 HJAF N#Cc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2-c2cccc(F)c2)c1 115921847 ZBYWVLGWPNTBNO-UHFFFAOYSA-N 406.413 4.884 0 1 HJAF Clc1ccc2c(NCCNc3cc(Cl)nc(N4CCCCC4)n3)ccnc2c1 204928020 CUUBLAWVTHIEQE-UHFFFAOYSA-N 417.344 4.846 0 1 HJAF COc1cccc(F)c1[C@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223037590 WPUHSUHTXPVKAB-RTBURBONSA-N 405.425 4.568 0 1 HJAF COC(=O)c1cc2nc(Cc3sc(C)nc3C)[nH]c2c(F)c1Nc1ccccc1 587012082 NJONBVMNFQWXIY-UHFFFAOYSA-N 410.474 4.896 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)nc2[nH]1 587044488 DSIIDQNYASFGRC-UHFFFAOYSA-N 403.063 4.711 0 1 HJAF Cc1nc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2cc1Br 587241151 VTEASRJFPAHAJL-UHFFFAOYSA-N 419.279 4.748 0 1 HJAF COc1cc(C)c(N)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587250779 RPFPQMHPCJGLGK-UHFFFAOYSA-N 404.308 4.926 0 1 HJAF CCCCN1CC2CN(CCCC)CC(C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587519319 YWGQLRCLRVYJNZ-UHFFFAOYSA-N 424.629 4.733 0 1 HJAF CN(C)/C=C(\c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550771 YKGPHEHISHQMOY-SWAXBTAQSA-N 421.880 4.979 0 1 HJAF C[C@@]1(c2c(Cl)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550868 CJFMGOLAUSJTSB-VGOFRKELSA-N 406.825 4.570 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)n2C)N1 587712517 LDNHQGBGSIENMY-JDNHERCYSA-N 405.233 4.743 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)ccc2F)N1 587725195 CBMFAYNOOAIJRB-ZIDLFYJRSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(F)cc2)N1 587735433 PTXNOZCBLSTAQK-VXBHKPKKSA-N 407.302 4.580 0 1 HJAF Cc1ccccc1-n1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755558 AUZQGGHBXQMNDC-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794872 VMNZIFMRMJGXOL-CFMSYZGJSA-N 423.326 4.844 0 1 HJAF COc1ccc(-c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)no2)cc1 587797753 SQDUYLMNADPMPU-BIBXISHDSA-N 417.278 4.875 0 1 HJAF COc1ccc([C@H](C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809605 UKQZKEVEYKCTGL-JOOBJXAISA-N 408.311 4.984 0 1 HJAF Cc1cc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C 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0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1 587735623 YGYZLRPSEUCKGD-FKIZINRSSA-N 418.285 4.711 0 1 HJAF Cc1ccccc1-n1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587755559 AUZQGGHBXQMNDC-RNODOKPDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C[C@H]2C)N1 587758283 CTAVYMYMWJLFGH-MCFFVMPBSA-N 417.366 4.860 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800456 XLICQWLJOUEFJC-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF CCOP(=O)(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC 587849239 KPBCBYMAHKXVLS-ZBEGNZNMSA-N 408.248 4.604 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cccs2)N1 587856643 YGMXPRCKEBBQME-HXPMCKFVSA-N 403.320 4.871 0 1 HJAF O=C(O)/C=C/C=C/c1nc2c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cccc2[nH]1 587968695 OAPMCZCEUHSLEU-LWBLAMGCSA-N 419.334 4.627 0 1 HJAF COc1ccc2c(c1)[C@@H](c1cc(Br)cc(C(=O)O)c1)N(C(C)C)CC2 962085946 CCWUZTKOZHXJJI-LJQANCHMSA-N 404.304 4.512 0 1 HJAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3ccc(-c4cccnc4)nc3)C2)cc1 962637864 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4.752 0 1 HJAF CO[C@H]1C[C@@](C)(O)C[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1 13730556 JNJRDSMXUNXNRZ-PWHSHALESA-N 410.539 4.738 0 1 HJAF Nc1nc(=O)n(CCCCOc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 17039852 RQQBCSPMIZLTSW-UHFFFAOYSA-N 404.297 4.659 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](N5CCCC5)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@H]2O 31872200 KRHIHQCEBCPCIT-FVWBIGPJSA-N 409.618 4.822 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153029 WHWOXTLAMAZUQG-KRZPNNLXSA-N 400.607 4.894 0 1 HJAF Cc1ccc([C@@H](C(=O)Nc2ccc(N3CCNCC3)c(Cl)c2)c2ccccc2)cc1 45302847 SFVGZVFKNFFEJA-DEOSSOPVSA-N 419.956 4.829 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1Oc1ccccc1C(=O)O 53298825 NGFFIJQHBMXVTF-UHFFFAOYSA-N 417.870 4.940 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1 82133604 RNLCFDFJFKQGQH-INIZCTEOSA-N 408.933 4.980 0 1 HJAF CC[C@@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc(C)c2)n1 82146887 WPWHZCULXJKBLU-QGZVFWFLSA-N 406.505 4.774 0 1 HJAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2-c2ccccc2)C[C@@H]2CC[C@@H]1N2 100632774 WCHOTFXBPCUYEP-JTSKRJEESA-N 414.530 4.813 0 1 HJAF COc1cccc(F)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 166803477 NPKJTUYDYQQLQJ-UGSOOPFHSA-N 411.502 4.771 0 1 HJAF CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1 204145152 UHTLKZSSOZYNMP-UHFFFAOYSA-N 403.486 4.596 0 1 HJAF COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2ccnc(Nc3ccccc3)n2)cc1 206774710 LMCNZGUCTLCZEB-HXUWFJFHSA-N 405.502 4.694 0 1 HJAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1CCCCCCC1 586986856 GAWVQALBPLRWFI-UHFFFAOYSA-N 414.505 4.923 0 1 HJAF Clc1cncc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587021193 KTLBAPGYBVWSTI-UHFFFAOYSA-N 404.886 5.540 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)c1cccc(Cl)c1 587069707 FAISBYATUFFHJF-MRXNPFEDSA-N 415.877 4.723 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=N)N)cc4[nH]3)c(Cl)cc12 587078439 QXTIBAVVHVSMEW-NSHDSACASA-N 424.888 4.699 0 1 HJAF CCOc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)ccc1OC(F)F 587130409 LYRMCPZGTVIYAW-GQCTYLIASA-N 410.218 4.891 0 1 HJAF Cc1ccc(-c2ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(Cl)c2)cc1F 587147781 ZUZLVTFJROFGCP-UHFFFAOYSA-N 415.877 4.645 0 1 HJAF CN(C)CCOc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587149536 HYFKNCBQSNLITL-HSZRJFAPSA-N 423.463 4.950 0 1 HJAF Cc1nc(N(C)C)ncc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587194446 GEMSUOVRDUESQG-UHFFFAOYSA-N 418.339 4.582 0 1 HJAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O 587337112 UXEGCYLMEKFPHB-GGAORHGYSA-N 412.388 4.659 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(F)(F)F)nn4C)s1)[C@@H](C2)C3=O 587422661 PQXVTFRKMWKTQO-WLRWDXFRSA-N 420.412 4.665 0 1 HJAF NCCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511484 QFZKBWGNKLRQLG-HHHXNRCGSA-N 413.517 4.812 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4ccccc4c3)c2c1 587650187 YYPOYMBDNFXQBA-UHFFFAOYSA-N 417.408 4.974 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(Br)cc2)cs1 587654620 WECPQXBTDYUELU-UHFFFAOYSA-N 418.703 4.925 0 1 HJAF O=C(CNc1ccccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656926 MGWNMPLOQSHXFF-UHFFFAOYSA-N 407.832 4.608 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711528 KWUNYWXGMSSHAI-PWJLMRLQSA-N 404.201 4.936 0 1 HJAF COc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587772271 ZJWJTAGDVZEDRS-CQSZACIVSA-N 419.338 4.627 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccnc3O)c2)N1 587773940 SNYUZODBAVSRFP-FKIZINRSSA-N 413.290 4.979 0 1 HJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807925 FJNUHCQWKOVNEO-YUNKPMOVSA-N 406.295 4.701 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccncc3)s2)N1 587852611 HQRHYQMDGMBLGH-BTDLBPIBSA-N 404.308 4.730 0 1 HJAF COC(=O)c1cccc(-c2cc3c(=N[C@H](C)c4ccccc4)nc[nH]c3s2)c1OC 653697803 IMFSRMUJOCEGFM-CQSZACIVSA-N 419.506 4.749 0 1 HJAF CCCn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCCC3 653739223 FOHZWVAJKMDCRM-UHFFFAOYSA-N 404.582 4.783 0 1 HJAF O=C(Nc1nccs1)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 653753136 AEZXVLBQFBHENJ-UHFFFAOYSA-N 424.436 4.951 0 1 HJAF COc1ccc(O[C@H](C)[C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1 961614898 NWECVCNTINOBCF-JLTOFOAXSA-N 402.332 4.819 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)N(C)[C@@H](C)C2 962633542 PJLZYVMOXNSVDH-ODCWNRFASA-N 421.493 4.802 0 1 HJAF Cn1c([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc2ccccc21 963194776 RECIXVNLORDADH-SCLBCKFNSA-N 408.807 4.539 0 1 HJAF COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2ccc(C(C)C)cc21 1772648419 SQXMEUOMKUKCNK-HNNXBMFYSA-N 421.549 4.601 0 1 HJAF O=C(c1cc(Br)c(Br)[nH]1)c1cc(Cl)cc(Cl)c1O 1772652939 IJADFNLHNSFJDN-UHFFFAOYSA-N 413.880 4.783 0 1 HJAF CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 6797027 CUNYDZIAMAXSSP-UHFFFAOYSA-N 403.507 4.703 0 1 HJAF C[C@@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](C)[C@H]3O)C(=O)O 14976903 LPHVFIFMGROHAK-FCWUTSKXSA-N 420.634 4.970 0 1 HJAF CN1CC[C@H]1CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28470331 QFQVLHOXSAWMLL-QFIPXVFZSA-N 404.533 4.766 0 1 HJAF COc1c2occc2c(OC)c2c(OCCCCOc3ccccc3)cc(=O)oc12 43022217 YJSFGKLFCJHZPF-UHFFFAOYSA-N 410.422 4.794 0 1 HJAF Cn1ccnc1CCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 45195456 PCNFHKRKZOXWCV-UHFFFAOYSA-N 417.296 4.551 0 1 HJAF S=C(NC1CCCCC1)N1CCCN(C(c2ccccc2)c2ccccc2)CC1 49066920 PRXRWYXQNGJSFH-UHFFFAOYSA-N 407.627 4.991 0 1 HJAF CCCC[C@@H](CC)CNc1nc(NCCCCCO)nc2cc(OC)c(OC)cc12 82127735 COSFDENYVBVNSE-QGZVFWFLSA-N 418.582 4.850 0 1 HJAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 82198567 QYANJGUVPLLCBQ-CNQPCWNOSA-N 422.569 4.769 0 1 HJAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCc1ccccn1 95555837 OAUPSHKTJBGBLG-UHFFFAOYSA-N 421.541 4.965 0 1 HJAF CC1=Nc2ncnn2[C@H](c2ccc(OCc3ccccc3)cc2)/C1=C(\O)OC(C)C 104032609 ZNNNIBPTBZJBDS-JBCNATCCSA-N 404.470 4.747 0 1 HJAF O=C(Nc1cccc2cccnc12)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169722003 OGYSABKWWQZOIU-CALCHBBNSA-N 409.445 4.830 0 1 HJAF CC(=O)O[C@@H]1[C@H]2[C@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]2[C@H]1OC(C)=O 238736023 ZRIFHZYKUAYXCS-ARQBSMCDSA-N 402.531 4.881 0 1 HJAF COc1cc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc(OC)c1OC 473136173 NOCOUTQKQYXYKX-OUKQBFOZSA-N 415.445 4.683 0 1 HJAF Cc1cc(Br)cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 587014807 ZKQFOPWZAWPBJG-UHFFFAOYSA-N 423.336 4.782 0 1 HJAF O=C(NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cc2c(s1)CCC2 587035230 QKQJXVLIPAVBJQ-UHFFFAOYSA-N 415.824 4.595 0 1 HJAF N=c1[nH]c2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc-2c(Cl)[nH]1 587081263 LUUHCACATDSWHG-UHFFFAOYSA-N 423.263 4.612 0 1 HJAF CCc1c(-c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)nc2cccc3c2c1CC3 587216524 DHMUKSQHEQPKSH-UHFFFAOYSA-N 402.519 4.910 0 1 HJAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347989 CHWQADVNROWLFU-RDPSFJRHSA-N 422.408 4.722 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3cccc(Br)c3)C1)CC2=O 587458370 SHZJCRBNQNMDCR-OAQYLSRUSA-N 416.315 4.722 0 1 HJAF O=C1C[C@H](C2=C(c3ccccc3)N3CCN=C3S2)Oc2c1ccc1c2CCCC1 587539349 VTBSALPMGIRBBC-HXUWFJFHSA-N 402.519 4.686 0 1 HJAF Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657133 WGMPWCDHMDNRLP-HNNXBMFYSA-N 420.415 4.758 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)cccc2Br)N1 587681917 YKCRDGKNRBTFNQ-VPTHRUTESA-N 414.116 4.557 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC 587698104 YFRLAKBTTJLHAV-HUTHGQBESA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)nc2)N1 587713740 UNZFIOJHLVDIOA-ABKXIKBNSA-N 419.216 4.548 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2F)N1 587727259 NDHCFRDANGHPLO-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N(C)C2CC2)N1 587733759 SIRIHAMAAFRHBS-YBTHPKLGSA-N 407.302 4.950 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2)N1 587735967 SAJPTQMZHBKMMU-YEJXKQKISA-N 415.281 4.948 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743959 QJJYGLCGFSAYDQ-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)ncn2C 587866133 USJTXVMJEWSOOI-UHFFFAOYSA-N 414.387 4.543 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)(F)F)cc1C1CC1 587870557 CSBCHOGSKFXUMM-UHFFFAOYSA-N 422.382 4.521 0 1 HJAF O=C(NC1CCCCC1)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 653765553 SKZWHZCMLRRTSH-UHFFFAOYSA-N 412.497 4.622 0 1 HJAF COc1ccc2c(c1)[C@@H](c1cc(Br)cc3c1OCC3)N(C(C)C)CC2 962096562 YMTQJTURTJPNTL-FQEVSTJZSA-N 402.332 4.749 0 1 HJAF Cc1c(F)ccc2c1[C@H](C[C@@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C)NCC2 962297594 KCTNFLLHRJAAGV-CTNGQTDRSA-N 416.512 4.986 0 1 HJAF CCCC[S@](=O)c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N 1772580582 QAYSBRSJKABRMX-MHZLTWQESA-N 414.581 4.972 0 1 HJAF CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1ccccc12 95570937 BSUMCRBYUZFQAJ-BVAGGSTKSA-N 403.522 4.882 0 3 HJAF COc1nccc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc12 14962563 KBNUMNIBWXMEAR-NRFANRHFSA-N 424.504 4.736 0 1 HJAF COc1ccc2cc([C@H](C)c3nnc4sc(-c5ccccc5N)nn34)ccc2c1 28823129 BDNOCLFENVSTGG-ZDUSSCGKSA-N 401.495 4.749 0 1 HJAF COc1cc2c(cc1OC)-c1cc(Nc3c(C)cccc3C(C)(C)C)nc(=O)n1CC2 29249959 APTLQKWJXIKYTA-UHFFFAOYSA-N 419.525 4.833 0 1 HJAF O=C1C[C@H](O)C[C@@H](/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2Cl)O1 29410445 WFNUYWHHWZXZKY-SULOOQPXSA-N 411.256 4.791 0 1 HJAF O=C(O)Cc1cc(Br)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 29414165 JVMPLKHBWUSGJJ-UHFFFAOYSA-N 416.218 4.694 0 1 HJAF CCCC[C@@H](CC)C(=O)Nc1ccc2cnn(Cc3ccc(C(=O)O)cc3OC)c2c1 29478889 GXSQGIALLOEXKT-MRXNPFEDSA-N 423.513 4.946 0 1 HJAF CCOc1cc2c(cc1OCC)-c1cc3cc(=O)c(OCC)c(OCC)c-3cn1CC2 59587047 ZLGDLEKWPLBZFA-UHFFFAOYSA-N 423.509 4.771 0 1 HJAF biogenic COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)C(C)C)n2)cc1 82067273 DKWMBJKUDQUMEM-FQEVSTJZSA-N 405.502 4.617 0 1 HJAF CC(C)(C)C1CCC2(CC1)SCC(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95561520 GLBYCAZLOUYRAJ-UHFFFAOYSA-N 404.620 4.742 0 1 HJAF O=C(Nc1csc(-c2ccncc2)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95577570 CWYVNWLIGCYNGU-MRXNPFEDSA-N 405.483 4.530 0 1 HJAF CC(=O)O[C@H]1/C=C/C(C)(C)CC2=C(C)[C@@H](OC(C)=O)[C@]3(C[C@@H](C)C=C3/C=C\1C)O2 96928266 BMGXMFMQTBCDGL-ZBKWAGSWSA-N 400.515 4.791 0 1 HJAF CC[C@@H]([C@@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303298 CIJXDSNTGMSJOR-IERDGZPVSA-N 407.480 4.862 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104075834 HTJRABLRPQVITC-UZLBHIALSA-N 401.890 4.870 0 1 HJAF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 105178374 CWEFIDFCCGQNNT-OQMKNBQHSA-N 422.548 4.905 0 1 HJAF O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1ccc(Cl)cc1F 205727697 CATRDIXKESDKIC-UHFFFAOYSA-N 403.743 4.682 0 1 HJAF COc1cc(C(=O)c2ccn(-c3cccc(-n4cccc4)c3)c2)cc(OC)c1OC 299829884 SSMJIECMVRQQLP-UHFFFAOYSA-N 402.450 4.525 0 1 HJAF Cc1cc(Br)cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586996140 AFMYCXHUEQCFJN-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF O=C(c1cc(Cl)cc(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587277070 YIZYUAHWEQZUTJ-UHFFFAOYSA-N 401.043 4.620 0 1 HJAF COC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335660 RDXORWIOOHVERN-JTHBVZDNSA-N 414.379 4.710 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2=O 587490617 ZEEMFKVNRBLQCS-JOWJHRDDSA-N 415.530 4.716 0 1 HJAF O=C(O)c1ccc([C@@]2(Cc3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587515818 SAMXIPKBOMPWFG-AREMUKBSSA-N 413.473 4.762 0 1 HJAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccc(Cl)cc21 587552767 SJMGQYLYCYWZBS-WIYYLYMNSA-N 406.825 4.635 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587581625 WTAAOGGJWXHGAS-DHLKQENFSA-N 417.461 4.758 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1 587723342 XBVYPGDBPCBKHG-VPTHRUTESA-N 400.194 4.533 0 1 HJAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587790628 IVTDHJFGPPQYNC-FVINQWEUSA-N 423.326 4.508 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(C)(C)C)n[nH]1 587859166 GKVGUYKBAYPYHI-UHFFFAOYSA-N 407.301 4.965 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccc(Br)c(F)c1OC)N(C)[C@H](C)C2 962642662 ZMAHFIQAMFSATN-ADLMAVQZSA-N 424.310 4.580 0 1 HJAF CC(C)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962646714 XBXCIIZZTNVBDT-AQOAWAETSA-N 419.443 4.646 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 963234856 RCVSSOPXJGDUIA-QMHKHESXSA-N 416.500 4.575 0 1 HJAF O=C(N[C@H]1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1)c1ccc(Cl)cc1 1772634736 UOERBZYAXXXTRT-FQEVSTJZSA-N 408.885 4.635 0 1 HJAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cncc(F)c4)cnc3[nH]2)c1)N1CCCC1 1857553538 KWNIZMLTDGAJSC-UHFFFAOYSA-N 420.423 4.593 0 1 HJAF COc1ccc(-c2cc(Cn3cc(-c4cc(C)c(C)cc4C)nn3)on2)cc1OC 1857650836 QJHWJXZEFZVBNT-UHFFFAOYSA-N 404.470 4.591 0 1 HJAF COC(=O)c1ccc2c(c1)C[C@]1(O2)[C@H](C)CC[C@@H](OC(=O)c2ccccc2)C1(C)C 2356504642 ZCNGYPFWHGRPSJ-YCEDGAFSSA-N 408.494 4.829 0 1 HJAF CCc1ccccc1NC(=O)[C@H](C)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 6916481 OJPCXVQZBYDLEM-SFHVURJKSA-N 414.509 4.566 0 1 HJAF Fc1ccc(C(OCCNC[C@@H]2CNc3ccccc3O2)c2ccc(F)cc2)cc1 13780738 UIAPPCZOIGGXLT-OAQYLSRUSA-N 410.464 4.534 0 1 HJAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2nccc3ccccc23)cc1 13812860 KIKYCSWMKGQRDZ-UHFFFAOYSA-N 417.412 4.510 0 1 HJAF CCN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 26954437 JSVCHYCWIRWLJK-OORPVABFSA-N 420.597 4.953 0 1 HJAF COc1ccc(-c2[nH]c3ccccc3c2CCNCc2ccc(O)cc2)cc1OC 27558435 IHBCRGSNAYLGOI-UHFFFAOYSA-N 402.494 4.890 0 1 HJAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)ccc21 35064571 VNRWXRGHAVMRHM-UHFFFAOYSA-N 410.495 4.632 0 1 HJAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2c(c1)CCO2 43022966 LJLFRNLUXXBYTE-UHFFFAOYSA-N 414.533 4.761 0 1 HJAF CC1(C)NC(=N)NC(=N)N1OCCCCOc1ccc(Cl)cc1C1CCCCC1 45192709 KVTQXHWPBVMXRK-UHFFFAOYSA-N 421.973 4.579 0 1 HJAF COc1cccc2c(C(=O)N3C[C@@H]4CCCN4CC3(C)C)cn(CC3CCCCC3)c12 64549451 SLPGSWIEEUBPDH-FQEVSTJZSA-N 423.601 4.929 0 1 HJAF O=S1(=O)c2cc(Cl)ccc2Oc2ccccc2CN1Cc1cccc(F)c1 72104809 RYGSVXLJZDMLEI-UHFFFAOYSA-N 403.862 4.976 0 1 HJAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 82066627 MIIIIQLBDDVLFR-CALCHBBNSA-N 411.550 4.899 0 1 HJAF CCCC[C@H](CC)CNc1nc(NC[C@@H]2CCCO2)c2cc(OC)c(OC)cc2n1 82125049 PBKCJLOIPWOECE-IRXDYDNUSA-N 416.566 4.866 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1 82139264 INOXZDAACMQREY-DYESRHJHSA-N 410.537 4.828 0 1 HJAF CCOc1ccc(-c2sc(N(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 95559580 HWLSNDRDXHBWNT-UHFFFAOYSA-N 414.527 4.968 0 1 HJAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(C(F)(F)F)cc4)C[C@@H]2N3)cc1 100109120 OLWBUYWDQCJCAM-JOBHKAQDSA-N 401.432 4.710 0 1 HJAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@H]3CCCCN3C5)c(=O)c2)cn1 113109209 XADIPHDSSHNZFN-OAQYLSRUSA-N 424.548 4.610 0 1 HJAF CCC(=O)c1sc(-c2ccc(OC)cc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1 148653590 RNMYKOMXUBBUGJ-UHFFFAOYSA-N 415.536 4.639 0 1 HJAF COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 169348407 NNLDXWUFIKYMAP-UHFFFAOYSA-N 413.827 4.722 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)c(CC)c1CC(=O)O 203689839 IOAYMBWHROEXPJ-UHFFFAOYSA-N 402.498 4.535 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1sc3cc(OC)c(OC)cc3c1Cl)NCC2 204775345 POYLMWYFTWFLRG-FQEVSTJZSA-N 419.930 4.824 0 1 HJAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(C(F)(F)F)[nH]c1C 206760199 SKOGDRGPAPLUDB-UHFFFAOYSA-N 424.426 4.824 0 1 HJAF COC(C)(C)CNc1nccc2cnc(Nc3ccc(Cl)cc3OC(F)F)nc12 224122218 PYSDVSGTCRUDOD-UHFFFAOYSA-N 423.851 4.860 0 1 HJAF CCCCCCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224796097 WVHOWLNQKNGDRH-UHFFFAOYSA-N 413.518 4.886 0 1 HJAF Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1 586963336 IBGANONGLFYFCZ-UHFFFAOYSA-N 411.918 4.656 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027977 VJQVETDGTAHQDU-GKCIPKSASA-N 405.527 4.576 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4nc(Cl)c[nH]c-4n3)c(Cl)cc12 587077811 AENRNROROYDFNM-VIFPVBQESA-N 419.268 4.810 0 1 HJAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(F)(F)F 587091489 DSXDCQXRZTTWQK-INIZCTEOSA-N 405.754 4.658 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(OC(C)C)ccc2[nH]1 587181460 RIMWIKHKDGCCDM-NSHDSACASA-N 424.286 4.789 0 1 HJAF O=C1c2ccc(O)cc2O[C@](C(=O)c2ccco2)(c2ccco2)[C@@H]1c1ccc(F)cc1 587348520 CVVQYMASWTXXKZ-ZJSXRUAMSA-N 418.376 4.855 0 1 HJAF CCOC(=O)C[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350963 SRXUPEBYNRRWGV-GGAORHGYSA-N 400.446 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(C(=O)O)cc3F)c1)O2 587387066 ZPDGYPMGJFJEQV-XMMPIXPASA-N 405.425 4.962 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2 587407357 HJSKLSUNWGDRKO-CPJLOUKISA-N 421.493 4.800 0 1 HJAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1Br)(C(C)C)[C@@H](C2)C3=O 587412950 KNNUNJPTUOSNJU-KKSFZXQISA-N 401.300 4.843 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCOC)cc1)(c1cccnc1)CC2=O 587486264 AVBCDHLOSNWNIQ-VWLOTQADSA-N 419.477 4.631 0 1 HJAF COC(=O)c1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587495075 BGIOTZDNYDDAOK-IBGZPJMESA-N 415.283 4.821 0 1 HJAF O=C1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)Oc2c1ccc1c2CCCC1 587502764 TWKQSJCYUFBBJR-UHFFFAOYSA-N 409.913 4.859 0 1 HJAF C[C@@]1(c2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550417 AJXLOSCURMEOHP-UZLBHIALSA-N 402.233 4.971 0 1 HJAF CC(C)C[C@@H](C(=O)O)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576558 JJZKERTXXGNNBJ-KPDCDPCYSA-N 421.449 4.568 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(F)F)c2c1 587650331 SBGBKLOZULTDOZ-UHFFFAOYSA-N 418.248 4.993 0 1 HJAF CCN(CC)c1ccc(-c2nn(C(=O)CC(C)(C)C)c(=O)c3ccccc23)c(O)c1 587667631 RJLDJDWDEHWNPP-UHFFFAOYSA-N 407.514 4.692 0 1 HJAF COc1cccc(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587811627 WVHAZLAFKQLMTJ-ODXCJYRJSA-N 406.295 4.619 0 1 HJAF C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587837016 CWDJVFGXJZCCJU-XAAFQQQXSA-N 422.294 4.534 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)c1 587932098 MHDRCHZXOSXLIL-UHFFFAOYSA-N 408.255 4.627 0 1 HJAF COc1ccc2c(c1OC)[C@@]1(CCCOc3c(Cl)cc(C)cc31)N(C)[C@H](C)C2 962618722 DLHCCMXMLFUJQW-CMJOXMDJSA-N 401.934 4.958 0 1 HJAF CCOC(=O)c1cccc([C@]2(CCc3ccc(F)cc3)NCCc3c(C)ccnc32)c1 963076987 VARWNLUQQYOKRW-SANMLTNESA-N 418.512 4.728 0 1 HJAF COc1cc([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)ccc1O 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4.762 0 1 HJAF CCCN1N=C2/C(=C/c3ccccc3C)CS(=O)(=O)C[C@H]2[C@@H]1c1ccccc1C 29254158 PJTUKNUCUNTHFW-ZTZJABTBSA-N 408.567 4.554 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@@H]3CC[C@]12C 36153013 CJNYDPBXKCGRGK-XKGMQAKHSA-N 402.623 4.580 0 1 HJAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1 36175953 LEBQJIIQZNRPHY-QHCPKHFHSA-N 415.493 4.864 0 1 HJAF Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5ccc(O)nn5)cc4)c3)nc12 45226811 UWCHBMWWFUXZQZ-UHFFFAOYSA-N 421.460 4.953 0 1 HJAF Cc1nc([C@@H](C)N(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 66136280 SQQNGFPTEFEYIL-CYBMUJFWSA-N 404.495 4.988 0 1 HJAF CC(C)(C)C(=O)N1CCN([C@@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1 72103578 SZSJCKUDTJMTHS-IBGZPJMESA-N 423.454 4.519 0 1 HJAF CN(C)CCCNCc1nccc2c3ccccc3n(CCCc3ccccc3)c12 72118979 ZTLFNALONCQCKX-UHFFFAOYSA-N 400.570 4.864 0 1 HJAF COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)OC(C)(C)[C@@H](O)C4)cc2)c1 72175050 GOGURCQHUVHYFR-QHCPKHFHSA-N 404.462 4.656 0 1 HJAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)C1 82152366 KXHPTJVJYYSCMX-RDGPPVDQSA-N 424.564 4.883 0 1 HJAF CCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294272 RQKLKSCPQMZHRE-UHFFFAOYSA-N 413.880 4.659 0 1 HJAF O=S(=O)(c1ccccc1)N(Cc1ccc(F)c(F)c1)c1cc2cccnc2s1 115234686 RADPLNCNUNOIOA-UHFFFAOYSA-N 416.474 4.970 0 1 HJAF Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 142486778 XRMAGLSUDIUXAN-UHFFFAOYSA-N 413.521 4.995 0 1 HJAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc3cc[nH]c3n2)c(F)c1 224755165 JVQXXNXINDHNRT-UHFFFAOYSA-N 424.501 4.508 0 1 HJAF CCc1c(NC(=O)N[C@H](C)c2ccccc2)ncc2c(-c3ccnc(C)c3)n[nH]c12 261098831 FXPZHCBGOCNODK-OAHLLOKOSA-N 400.486 4.773 0 1 HJAF CCCCOc1cc(O)c2c(=O)c(O)c(-c3ccc(OCCCC)c(O)c3)oc2c1 299836029 XYDZVNBHHDEFQT-UHFFFAOYSA-N 414.454 4.935 0 1 HJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586882542 XLVYOINLZYEHAT-UHFFFAOYSA-N 411.330 4.541 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(C(F)(F)C(=O)O)n4C)nc13)-c1ccccc1C2=O 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COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587495044 BFIGERBLIVQKEF-LJQANCHMSA-N 415.283 4.821 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Cl)cc2)c1 587551446 FMMMSTVZWHVZME-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553185 UEDPIEOPEXAYNB-OFNKIYASSA-N 423.852 4.795 0 1 HJAF CC(C)[C@]1(c2ccc3c(c2)CCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610145 PFXYTYCITVWPIX-WIOPSUGQSA-N 402.446 4.840 0 1 HJAF C[C@H](C(=O)O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622427 MWSCKPKTTQAMIM-QMMMGPOBSA-N 402.223 4.801 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2N)N1 587714610 WEKCBHBEFGKTOW-XYZCENFISA-N 417.244 4.987 0 1 HJAF C[C@@H](C[C@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587730648 JTDYGUFTBPBJSQ-XXRNEEKGSA-N 424.285 4.616 0 1 HJAF CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587762290 SDRIHHPTRNNYHB-WAWZGNHOSA-N 411.359 4.519 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(COCc3ccccc3)C2)N1 587803875 CHMMAYURJNWOJZ-DOOHWEDMSA-N 404.323 4.945 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1Oc1ccccc1 587814479 ZTKZPPQALKPTGH-DJJREKMQSA-N 420.322 4.574 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@H]1[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 962369281 CGDMVNRGLFIZIC-QFUCXCTJSA-N 415.603 4.879 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21C=CC2(CCOCC2)CC1 962960028 RTXLGXDKJPCXDQ-JOCHJYFZSA-N 407.476 4.699 0 1 HJAF Cc1ccc([C@]2(c3ccccc3CN3CCC3)NCCc3nc4ccccn4c32)cc1C 962981921 HQFDOCIEYSVROO-MUUNZHRXSA-N 422.576 4.594 0 1 HJAF Cc1cccc(I)c1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963118409 ZKFBUOPHGGYTQC-BEFAXECRSA-N 407.270 4.849 0 1 HJAF COC1=C(C)[C@]2(OC(=O)C=Cc3ccccc3)C(=O)[C@@H]3C(C)=CO[C@@H]3C[C@]2(C)CC1 2356607053 OHJOLXCVQUXFGH-KAKDDGLXSA-N 408.494 4.594 0 1 HJAF O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@H](COc3ccc(Cl)cc3)CN12 3824778 AUDZPOJILZPYBI-HNAYVOBHSA-N 412.700 4.900 0 1 HJAF O=C(NCc1ccncc1)c1cc(-c2[nH]ncc2-c2cc(Cl)cc(Cl)c2)c[nH]1 4642457 KSYBFKUQJAYAGK-UHFFFAOYSA-N 412.280 4.704 0 1 HJAF CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(N[C@@H](C)c2ccccc2)n1 13489724 FSMHXHOMHGLNCA-INIZCTEOSA-N 418.476 4.708 0 1 HJAF CC(C)(C)c1cnc(CSc2cnc(NS(=O)(=O)c3ccccc3)s2)o1 13490947 HTZRFBLQVDBFTF-UHFFFAOYSA-N 409.558 4.522 0 1 HJAF O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 13737406 SFWLRQJIBUQSPD-UHFFFAOYSA-N 412.961 4.517 0 1 HJAF CN1CCN(CCC/N=c2\cc(-c3ccccc3)sc3ccc(Cl)cc23)CC1 32155926 DMGMWHWSKSWILT-NJNXFGOHSA-N 412.002 4.760 0 1 HJAF Cc1cc2c(s1)c1cnn(Cc3ccc(SC(F)(F)F)cc3)c(=O)c1n2C 36380398 AWNARGFMKRHSIS-UHFFFAOYSA-N 409.458 4.918 0 1 HJAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)C=C[C@@]45C[C@@]35CC[C@]12C 40392987 RFIGBNKPBPAHJJ-ZUDQDPCPSA-N 414.678 4.710 0 1 HJAF O=C(Nc1ccccc1)C1=CC[C@]23CCN(CC4CC4)C[C@@]2(C1)Cc1ccc(O)cc13 84616850 ZPUNRBOAUGQHGN-RRPNLBNLSA-N 414.549 4.647 0 1 HJAF O=C(Nc1ccccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 95552052 JZTMJOFFJDVLAZ-UHFFFAOYSA-N 422.916 4.877 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 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O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCOC2)[C@@H]1c1ccc(F)cc1 587356333 JJMSHBJYMPIGHK-DVKBMCPXSA-N 404.437 4.822 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OC(F)F)[C@@H](C2)C3=O 587424069 WVIQQUXTSVODRG-YVEFUNNKSA-N 411.198 4.548 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587439624 VOTFSWLBFKHYMN-KEWLPNKHSA-N 415.530 4.771 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1Cl)CC2=O 587460399 FZPDOSYXGIWJRJ-OAQYLSRUSA-N 401.890 4.541 0 1 HJAF COc1cc2c(cc1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554934 YMBXTENDDHPLCK-NZQKXSOJSA-N 408.837 4.858 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCCC2)c1 587597111 UPUWJQXEOPEOOM-WIOPSUGQSA-N 401.462 4.691 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(O)CCCCC1 587608255 KSIGPWPJXRKOSJ-BKMJKUGQSA-N 416.473 4.945 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnc(C(F)(F)F)c2)N1 587723730 XLDFNCXJGRELIM-JDNHERCYSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2F)N1 587727256 NDHCFRDANGHPLO-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)ccc2F)N1 587729627 WGXVHJFNUIJBNG-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF Cc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587773109 IBUSWVNJYCKESM-RBZFPXEDSA-N 412.306 4.977 0 1 HJAF CSc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587846720 RAQVVULVILUIBK-APBUJDDRSA-N 424.335 4.705 0 1 HJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587952415 QKTGVRTWFUPCOP-QINHECLXSA-N 407.580 4.640 0 1 HJAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(OC(F)(F)F)cc1C)NCC3 963059284 QLNRXQMHXHYPMI-NRFANRHFSA-N 402.416 4.860 0 1 HJAF CC(C)=CCCC(C)=CCC[C@]1(C)O[C@@H]2c3ccc(O)cc3OC(=O)[C@H]2C[C@@H]1O 2356859959 UACDPQZEUCVSKT-KZDDHRSZSA-N 400.515 4.981 0 1 HJAF CCOC(=O)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 12477011 LGKANMWQYVKJNT-GOSISDBHSA-N 409.873 4.573 0 3 HJAF CCCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccc(OC)cc1 15935323 SKTAXLGZKZBCRV-LADGPHEKSA-N 422.569 4.557 0 3 HJAF CCCCCn1c(-c2cccnc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187234 SGUXJYXQKHKMQO-UHFFFAOYSA-N 404.493 4.872 0 1 HJAF Fc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1 82187260 NFVFGYREIZAIDS-GOSISDBHSA-N 423.517 4.528 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)o1 82214645 HKJUWYWOQHVFAT-IIBYNOLFSA-N 404.514 4.966 0 1 HJAF FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccsc4)CC3)ncnc2s1 221786930 ATCFHABJGDDNHA-UHFFFAOYSA-N 412.506 4.934 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)cc3)nc3ccc(O)c1c23 586988408 QXZCLFQTTWQZQB-UHFFFAOYSA-N 408.457 4.655 0 1 HJAF Cn1ncc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c21 587341592 JYEVHIIPCLTCJO-URXFXBBRSA-N 402.425 4.692 0 1 HJAF Cn1cc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2n1 587342469 NPWPJCDPXLURDR-VWNXMTODSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(Cl)c(N)c1)[C@@H](C2)C3=O 587420872 JMEKUUYIMFYOOV-MHECFPHRSA-N 405.881 4.930 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4cccc(F)c4)c1)[C@@H](C2)C3=O 587426192 ABGYJJPJAFFDOA-UQBPGWFLSA-N 420.436 4.911 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587444721 UBPBWYCWGYKGRW-HYBUGGRVSA-N 400.430 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3ncccn13)CC2=O 587472906 WQOCZVVQVQBIQG-HXUWFJFHSA-N 417.440 4.900 0 1 HJAF CCN(CC)C(=O)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587505508 MPISBMUVUMCCKJ-AREMUKBSSA-N 421.537 4.693 0 1 HJAF Cc1ccc([C@@]2(C(C)(C)N3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587518354 GMYUGPOZJJDJCG-HHHXNRCGSA-N 419.565 4.845 0 1 HJAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)O 587520872 GJGXXFGVNFPOHB-SZNDQCEHSA-N 410.466 4.523 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)(F)F)c1O 587545818 HYAMDINGEDFANV-UZLBHIALSA-N 402.324 4.820 0 1 HJAF CC(C)(C)c1nc2cncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587589195 WFKAFHDFYBWVGX-AVRDEDQJSA-N 416.433 4.929 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595588 LEIMEECASYGPIK-QPPBQGQZSA-N 410.466 4.626 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CCOCC1 587612926 WOLJIDAYPZUCAN-RCZVLFRGSA-N 402.446 4.989 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC(F)F)c2)N1 587717083 KMSMVFNIFUSMQA-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cccc(N)c12 587746442 MWWLZMUHPIWDNT-IPQOISQHSA-N 409.302 4.977 0 1 HJAF Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1 587751812 AXJLSYHBSJQYND-FKIZINRSSA-N 400.295 4.706 0 1 HJAF Cc1cccc(N2CCC([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)n1 587766122 FIGHWBZCZUDSKB-SPLOXXLWSA-N 418.354 4.784 0 1 HJAF COc1cccc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 587779625 UXYHHZSEBKHNMI-GIPWTMENSA-N 401.279 4.769 0 1 HJAF COc1ccc(C2(c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)CC3(CCC3)C2)cc1 587936766 ZHFYDKZTRCFKNM-UHFFFAOYSA-N 416.569 4.574 0 1 HJAF C[C@@H]1Cc2cc(O)ccc2[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F 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CC(=O)OC(C)(C)[C@H]1CC[C@@]2(C)C=C[C@@H](C)CC=C[C@@](C)(OC(C)=O)C[C@H](O)[C@@H]12 2356692823 MAUKAMKPRJZLAR-GPWHITFRSA-N 406.563 4.586 0 1 HJAF CC(C)[C@H](O)[C@H]1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2356792877 GXEGLKFHCXONNK-GXGWSQHXSA-N 402.619 4.957 0 1 HJAF CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)[C@H]1c1cccs1 6783275 NZCSCNOUWHUDLO-NHCUHLMSSA-N 405.523 4.719 0 1 HJAF COc1ccc(N2C(=O)[C@@H](c3ccccc3)N(c3ccc(OC)cc3)C2=S)cc1 13680183 ULBNKAPBHVGTIU-OAQYLSRUSA-N 404.491 4.583 0 1 HJAF CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=C[C@](C)(CO)O2 14692090 HXAFJEIIUGRXPL-RUZDIDTESA-N 420.461 4.537 0 1 HJAF biogenic,in-vitro NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2cccc3ccccc23)CC1 26496434 JNYHVVZVSHDECL-AREMUKBSSA-N 412.533 4.732 0 1 HJAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cscc3Br)cc2)C[C@@H]2CC[C@H]1N2C 28131827 AKZNIBWGGYEGKL-SFUIVIKGSA-N 420.372 4.917 0 1 HJAF COc1cc2nccc(Oc3ccc(C)cc3C(=O)N3CCCCC3)c2cc1OC 40979125 LFLAKMMBGCANML-UHFFFAOYSA-N 406.482 4.979 0 1 HJAF Fc1ccccc1-c1nc(N2CCOCC2)ncc1-c1ncc(-c2ccccc2)s1 82175662 QCDLWLRRIUBHHC-UHFFFAOYSA-N 418.497 4.910 0 1 HJAF O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95605108 JVXCBFZGQSQKGM-CTUHWIOQSA-N 420.459 4.622 0 1 HJAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2ccccc2)cc1 96923088 BENSGYUONYRKQX-QNGOZBTKSA-N 420.461 4.738 0 1 HJAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)C2=O)C2(CCC(F)(F)CC2)C3)c1 201257662 WJYXCYFNXFFRGV-XMMPIXPASA-N 420.463 4.638 0 1 HJAF Brc1cnc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586882726 APMQDPCLCFHRCT-DGIRIXITSA-N 411.141 4.951 0 1 HJAF COC(=O)c1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2n1 586981766 DRHRZFRYYWBVGA-CQSZACIVSA-N 416.319 4.879 0 1 HJAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3ccccc3cc2[nH]1 587001389 YSGZHZZSPZERBG-UHFFFAOYSA-N 407.223 4.958 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587011745 CEUOLWWXNMHVTL-UHFFFAOYSA-N 414.126 4.792 0 1 HJAF OCc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017244 KGLYHEQYDNQXEW-UHFFFAOYSA-N 406.330 4.594 0 1 HJAF Cc1nc(COc2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)cs1 587020591 VROWYPWKZAGSFB-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF COC(=O)c1ccnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587112796 ZSZUWCOGCTWSLT-UHFFFAOYSA-N 417.309 4.567 0 1 HJAF COc1cncc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587160858 GBCKFDNKEYJUPC-UHFFFAOYSA-N 415.222 4.722 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 587167464 NMPCWBUNTKNISZ-MRXNPFEDSA-N 421.245 4.973 0 1 HJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cn1 587247737 RPZDWDVOELEFDU-UHFFFAOYSA-N 413.350 4.659 0 1 HJAF Cc1nc2ccccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339972 RLCDVXPPRHJXCR-ZJSXRUAMSA-N 402.425 4.762 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC(F)F)c1 587556463 OOAIVRQNZAADBN-FXAWDEMLSA-N 402.324 4.836 0 1 HJAF CCOc1ccc(OCC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587593798 FAORGZIAPGIYLD-XUZZJYLKSA-N 406.434 4.893 0 1 HJAF O=C(Nc1c(F)cccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655716 PIFWISCTIONZET-UHFFFAOYSA-N 413.330 4.700 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O 587692022 JIIAHIKNFSBBMV-PWJLMRLQSA-N 400.675 4.579 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2C(F)(F)F)N1 587712075 NNRRJLPTEIMCCZ-ZKANADHPSA-N 404.201 4.936 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587738590 BNZYHZWHQHYFPE-ASSNKEHSSA-N 421.354 4.672 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCCN(C)C)N1 587741048 LORZZEOKSZIWOA-LHSJRXKWSA-N 421.354 4.542 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c(-c3ccccc3)n2)N1 587755711 QDFOLXIEAWYLRT-BLVKFPJESA-N 400.295 4.612 0 1 HJAF COc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780045 XSFMNRHVFZLRML-YBTHPKLGSA-N 401.279 4.769 0 1 HJAF COc1cc(/C=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587809753 VDGGVVMHCBOLCL-ABDOVANBSA-N 422.294 4.600 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)cn1 587864325 OKXRGBVIRGMGIJ-UHFFFAOYSA-N 413.197 4.509 0 1 HJAF CCN(c1ccc(-c2csc(CCNc3ccc(C)cc3)n2)cc1)S(C)(=O)=O 587923655 ZQOIUCBLGAVPSJ-UHFFFAOYSA-N 415.584 4.559 0 1 HJAF COc1ccccc1[C@@]1(c2ccsc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962635484 RTYBWMQNOJMGOU-GYCJOSAFSA-N 409.551 4.942 0 1 HJAF Cc1ccc([C@]2(c3ccc(F)c(F)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1F 963025081 JJWCVMFCLKTYME-ODCWNRFASA-N 422.450 4.758 0 1 HJAF CN1C(=O)C[C@H]2CN[C@@](Cc3ccncc3)(c3ccc4ccccc4c3)c3cccc1c32 963028675 PDXRJKZTQBCHLM-DWACAAAGSA-N 419.528 4.774 0 1 HJAF CC(C)(C)OC(=O)N[C@H](C[C@H]1NCC(C)(C)c2cc3c(cc21)OCO3)C(C)(C)C 963392004 XEFJRTJQIVINOE-VQIMIIECSA-N 404.551 4.667 0 1 HJAF Oc1cc(F)c([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1F 963833315 VDIMKJMMROWRBA-QHCPKHFHSA-N 406.432 4.966 0 1 HJAF CCCc1nn(C)c2c(NCCc3ccccc3F)nc(/C=C/c3ccco3)nc12 1857579000 KNRTWZFORFQNSX-VAWYXSNFSA-N 405.477 4.873 0 1 HJAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)ccc2NC2CCCC2)c2ccccc21 1857630321 LXUAKYHBCXPDPG-UHFFFAOYSA-N 405.454 4.606 0 1 HJAF COc1cc(C[C@H](C)[C@@H](C)Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 2356723685 QUPJKFGWIMFJOA-HOTGVXAUSA-N 414.498 4.612 0 1 HJAF COC(=O)c1[nH]cc2c1[C@@]1(CN(C)c3ccccc31)c1[nH]c3ccc(Cl)cc3c1-2 2356799196 UCRJXGBBRBVFCY-QHCPKHFHSA-N 403.869 4.701 0 1 HJAF COc1ccc2c(c1)[C@H](SCCN1CCN(c3ccccc3OC)CC1)CCC2 13740685 AMNJEUCLKUVQHU-XMMPIXPASA-N 412.599 4.637 0 1 HJAF CSc1ccnc(C[S@@](=O)c2nc3ccc(OC4CCCCC4)cc3[nH]2)c1 26577411 FOVHDTVASARCRV-MHZLTWQESA-N 401.557 4.699 0 1 HJAF O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N(Cc1c[nH]cn1)C1CCCCC1 26644518 NWJRNFBBVQLRAZ-UHFFFAOYSA-N 413.518 4.739 0 1 HJAF COCO[C@H]1C[C@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 28475564 LHSZBYIVFZJSTN-QCBQRGATSA-N 401.934 4.670 0 1 HJAF O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ncc5ccccc5n4)cc3)oc12 29224398 AECCUSOSVDWESX-UHFFFAOYSA-N 424.412 4.680 0 1 HJAF CC(=O)SCC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 38280026 HKWTYVJFIACCBI-UHFFFAOYSA-N 412.389 4.692 0 1 HJAF COc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1NC(=O)c1cccnc1Cl 40848051 MRYDBBDHYFUDKZ-UHFFFAOYSA-N 423.812 4.502 0 1 HJAF CCCCc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 40934227 UQGNKXCUBIAEOV-UHFFFAOYSA-N 423.310 4.940 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1 82151043 JNCWSOQMXQQQJM-UWJYYQICSA-N 410.537 4.828 0 1 HJAF O=C(Nc1ncc(CCO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 140808781 SHMOHYRZAVMWFR-UHFFFAOYSA-N 421.444 4.561 0 1 HJAF Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2cccc3ccccc23)cc1 169302959 NEEWSGYCYIODPM-UHFFFAOYSA-N 417.490 4.596 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)c1csc2ccccc12 205409057 PQNBMFORWVCMMH-QFIPXVFZSA-N 412.942 4.818 0 1 HJAF NC(=O)c1cccc(-c2ccc3c(c2)COCCN3c2ccc(C(F)(F)F)cc2)n1 473113808 HMXYTGIRFTYLJV-UHFFFAOYSA-N 413.399 4.535 0 1 HJAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586912982 PPNMMTBQFHOGFJ-QFBILLFUSA-N 419.934 4.690 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586970978 QSSACDWQCDCVDX-UHFFFAOYSA-N 409.433 4.684 0 1 HJAF COc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cn1 586998584 MYDMYPLJVBTIEC-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF N[C@H](c1ccsc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587025322 LITDOAWVCWJQCF-MRXNPFEDSA-N 416.428 4.944 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1cccc(Cl)c1 587072461 XNZGQZYACDYNMS-INIZCTEOSA-N 415.877 4.723 0 1 HJAF CC(=O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587231921 XVUUSAZFSKFUIX-UHFFFAOYSA-N 414.465 4.655 0 1 HJAF CCOC(=O)c1ccc(-c2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393308 FTFOVZUXJCHLTN-NRFANRHFSA-N 402.450 4.522 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(Cl)cc41)[C@@H](C2)C3=O 587422559 QPEWUQRXROYQKJ-YADARESESA-N 402.833 4.584 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O 587427460 HVCDYMUGEKSWQW-UUOWRZLLSA-N 414.436 4.946 0 1 HJAF CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450962 WLSMBZATGWPALT-WAIKUNEKSA-N 420.571 4.693 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3cc(Br)ccc13)CC2=O 587460206 SBIPNLOPPMEJPU-QGZVFWFLSA-N 401.260 4.690 0 1 HJAF COc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587524959 NTRBQKFGANKZGC-DZTNWFRXSA-N 420.505 4.936 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccnc(Cl)c23)N1 587702430 DFWQPQATYDBOLX-VVVCHXIZSA-N 408.702 4.752 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587752183 CQAGJOSUXSSCGM-BDJLRTHQSA-N 415.347 4.857 0 1 HJAF Cc1nccn1-c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587753085 HOYKPKPSEACVKV-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF COc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805664 HBSAOBZGCOVKFJ-YUNKPMOVSA-N 408.311 4.712 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccccc3)C2)N1 587816580 AKMCVUIZECHAKJ-NZCGUCNHSA-N 402.307 4.855 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)ccc1Br 587871231 QVVCYLQRXOUSKD-UHFFFAOYSA-N 407.214 4.678 0 1 HJAF COc1cc2c(cc1OC)[C@](CCC(=O)O)(c1ccc(C(C)C)cc1)N(C)[C@@H](C)C2 962623459 ILVPMFYEWPOQPF-GKVSMKOHSA-N 411.542 4.812 0 1 HJAF CCC[C@]1(c2ncccc2Cl)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962723261 YWTAYTGIUQGTJY-YJBOKZPZSA-N 416.802 4.536 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cccc2nc[nH]c12 963862896 JJTVJQNYJGIXAQ-ZHRRBRCNSA-N 421.497 4.597 0 1 HJAF O=C(OC1=CS(=O)(=O)Nc2ccc(Oc3cccc(F)c3)cc21)c1ccccc1 1857656752 GICIHOXVYZPMOK-UHFFFAOYSA-N 411.410 4.529 0 1 HJAF CCOC(=O)CCCn1c(SCCOc2c(F)cccc2F)nc2ccccc21 1857755303 IMRMVIJJEVOPBK-UHFFFAOYSA-N 420.481 4.829 0 1 HJAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@H]12 205206940 HXOGLFWIGUZTIJ-XZOQPEGZSA-N 411.505 4.529 0 3 HJAF COc1ccc(N2C(=O)[C@H](c3ccccc3)N(c3ccc(OC)cc3)C2=S)cc1 13680181 ULBNKAPBHVGTIU-NRFANRHFSA-N 404.491 4.583 0 1 HJAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N3CCCC[C@H]3CCO)nc21 26467883 FXSJIIIPGGRTNH-KRWDZBQOSA-N 414.941 4.546 0 1 HJAF CS(=O)(=O)c1ccc(/C(=C\C2CCCCCCC2)C(=O)Nc2nccs2)cc1 34342393 FAGVPXDHYNJFCC-XDJHFCHBSA-N 418.584 4.929 0 1 HJAF Cc1cc(C)cc(N(Cc2ccc(CO)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1 40413281 UFQDWXYZGWHYFO-UHFFFAOYSA-N 417.553 4.709 0 1 HJAF COc1ccc(-c2nc(NCc3ccccc3)c3cc(OC)c(OC)cc3n2)cc1 45194238 MCNRQAWLKARGLZ-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF CSCCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 45386780 CXWFUEQMTADWKS-CYBMUJFWSA-N 412.399 4.649 0 1 HJAF COc1cccc2c(C(=O)N3CCN4CCC[C@@]4(C)C3)cn(CC3CCCCC3)c12 64539459 HMMODIVNRVDSSA-VWLOTQADSA-N 409.574 4.541 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](C)[C@@H](C)C2 68590510 HFOJLJJWRROUFQ-QWHCGFSZSA-N 402.487 4.701 0 1 HJAF biogenic CCCN(CCC)C[C@H](O)COc1ccc(F)cc1C(=O)CCc1ccc(F)cc1 73195922 XPLMPTCLEONVEL-NRFANRHFSA-N 419.512 4.642 0 1 HJAF COc1ccc(C2=NN(C(=O)c3ccc(Cl)nc3)[C@H](c3ccc(OC)cc3)C2)cc1 84727392 HHCPBFIZQARXRS-NRFANRHFSA-N 421.884 4.744 0 1 HJAF CC(=O)c1ccc2c(c1)C[C@@H](CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O 103231775 FDVGEVSBRKQEIG-MRXNPFEDSA-N 420.484 4.794 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(Cc4cccnc4)C3)cc12 226048655 HATMRDUPPAWOII-KRWDZBQOSA-N 402.473 4.762 0 1 HJAF CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 255192417 AELZDZIWKOZSSW-ZRUXMNEQSA-N 418.574 4.709 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccsc4)[nH]c3c2)cc1 587025975 PUOHBXHMUSZLSR-MBXJOHMKSA-N 411.508 4.604 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587073778 MSQAWMRQBNMZCB-KRWDZBQOSA-N 404.297 4.993 0 1 HJAF Cc1nc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1Br 587166540 DJRKIAXQQPOWIQ-OAHLLOKOSA-N 418.270 4.537 0 1 HJAF COC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335658 RDXORWIOOHVERN-GMAHTHKFSA-N 414.379 4.710 0 1 HJAF COc1cccc(-c2cc(C3=C(C)N=C4N=CNN4C3)nc3c2oc2ccccc23)c1 587363658 SBIRUPVNKXMAED-UHFFFAOYSA-N 409.449 4.606 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587426444 NUEAWMJTFIPRKZ-NTKDMRAZSA-N 418.420 4.777 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(c1ccc(Cl)cc1)CC2=O 587460047 FGTQUMYRNVGHBP-QFIPXVFZSA-N 402.874 4.812 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)cc1F)CC2=O 587465633 JFRMQSAZIFZJJP-QGZVFWFLSA-N 409.251 4.961 0 1 HJAF Cc1ccc([C@]2(c3c(N)nc4n3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516507 XOVGWUTZVYLFKQ-SANMLTNESA-N 413.521 4.508 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ncc[nH]1 587546149 IOGSKHZRJGZVRO-XXBNENTESA-N 418.836 4.674 0 1 HJAF COC(=O)c1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587547580 MLNFJQPKDWQJMN-RXVVDRJESA-N 410.809 4.535 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1N1CCCC1 587556262 JBRUARQIILGMEN-XUZZJYLKSA-N 405.425 4.834 0 1 HJAF C[C@@H]1CCN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583826 VEGFQWONJACNMY-LZECLLPCSA-N 415.489 4.635 0 1 HJAF Cc1cccc(C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587706429 PYYCAWYYOHIMMT-GTNSWQLSSA-N 417.244 4.826 0 1 HJAF Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587743814 PUUJPGYAJDVOSB-QKKBWIMNSA-N 419.338 4.983 0 1 HJAF Fc1ccc2c(c1)-c1cc(n(-c3ncnc4c3cnn4Cc3ccc(Cl)cc3)n1)O2 587874035 ONEMTDPEZKDOJR-UHFFFAOYSA-N 418.819 4.626 0 1 HJAF CC(C)N1CCc2nc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)sc2C1 962713372 RLJBBFHSMFOEPL-QVKFZJNVSA-N 417.619 4.502 0 1 HJAF COc1ccc(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)s2)cc1 963233638 PGQZFCSZTVJKNR-NFBKMPQASA-N 416.502 4.660 0 1 HJAF Oc1nc2ccc(-c3cc(C[C@]4(O)CC[C@@H](Cc5ccccc5)CC4)no3)cc2o1 1772590402 HTYJRTSDPYJLJQ-SMQSCJQKSA-N 404.466 4.895 0 1 HJAF FC(F)(F)Cc1cc2c(N3CCC4(CN(Cc5ccccc5)C4)C3)ncnc2s1 1857646107 GPUCGUREPBUUPX-UHFFFAOYSA-N 418.488 4.508 0 1 HJAF Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccccc1Br)NC2=O 1857745148 IHGOLOUGKMAADI-KRWDZBQOSA-N 417.694 4.655 0 1 HJAF CC=CC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@H](O)C=C(C)C=CC=CC(=O)N1 2356393265 FFBLFSFSCNGUGS-UODIDJSMSA-N 421.581 4.793 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@@H]21)CN(CC(=O)O)C=C3 2356816119 CXTSGZSYYDXXBX-VPTPGNQDSA-N 415.574 4.783 0 1 HJAF CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCCC 12727114 WTPPOMWXDGZSPO-UHFFFAOYSA-N 423.966 4.680 0 3 HJAF CC(C)Oc1ccc(CN2CC[C@@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61906870 PAXFUJBOXXMMGZ-SANMLTNESA-N 402.538 4.908 0 3 HJAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 774064 SRJHVQYOXVVFAO-LJQANCHMSA-N 408.498 4.641 0 1 HJAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 3973252 YICZBOMOCOUNSS-CEDFBSMGSA-N 410.595 4.771 0 1 HJAF O=C1C[C@H](Cc2ccccc2)N1C(=O)N(Cc1ccccc1)OCc1ccccc1 13780493 SQHAXPYIFQIFIM-QHCPKHFHSA-N 400.478 4.584 0 1 HJAF Brc1cccc(Nc2ncnc3cnc(NCCc4ccccn4)cc23)c1 21289149 JGLPCRUFWFOQKT-UHFFFAOYSA-N 421.302 4.581 0 1 HJAF CN(CC[C@H](Oc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)CC(=O)O 26165710 XIHVPDXIJFVKMC-KRWDZBQOSA-N 401.812 4.885 0 1 HJAF CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 26489126 KKMVXAAPKLBRBH-UHFFFAOYSA-N 401.551 4.744 0 1 HJAF CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 43010035 NAYSJCOQZSLLDI-CVEARBPZSA-N 413.928 4.834 0 1 HJAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(Cl)cccc3Cl)N2C1=O 66102580 PTQUZKILLURZCG-LPHOPBHVSA-N 414.292 4.773 0 1 HJAF O=C(OCCO[N+](=O)[O-])C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1 71316877 HFBJEJBJQSWRSC-UHFFFAOYSA-N 414.216 4.583 0 1 HJAF COc1ccc(N2C[C@@H](Cc3ccccc3)[C@@H](CC(=O)Nc3ccccc3)C2=O)cc1 72137558 MOBZXWIKGQGYKU-HYBUGGRVSA-N 414.505 4.546 0 1 HJAF COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)nc(SC)n2)cc1O 84689824 ZMWKKMYINWOOSX-KBXRYBNXSA-N 422.506 4.968 0 1 HJAF CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95577399 UMHMCUNSKUAZNW-NRFANRHFSA-N 414.933 4.859 0 1 HJAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO 95599295 FXJNLPDGOMRLCK-TUSQITKMSA-N 419.569 4.570 0 1 HJAF Cc1ccc(-c2ncco2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CCC[C@@H]2C)c1 118667456 HFZAUIBSVWMNMS-ZWKOTPCHSA-N 423.488 4.894 0 1 HJAF Cc1nc(Cl)c(-c2cccc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c2)[nH]1 142888172 MUPYKIHTUBZWPY-UHFFFAOYSA-N 404.901 4.930 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccc2)n1 167089490 AJINUHRTDLBLGI-DYESRHJHSA-N 402.494 4.876 0 1 HJAF Cc1cc(N[C@H](CC(C)C)C(=O)NC2CCCC2)nc(NCC2CCCCC2)n1 206780794 DMIYYGKRGRKSMD-HXUWFJFHSA-N 401.599 4.663 0 1 HJAF C[C@H](NC(=O)[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 299870126 NLFQZGZNWSXJNG-FKHKZWONSA-N 419.565 4.713 0 1 HJAF in-vivo CC(C)(C)OC(=O)N[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987157 KGEQFTSXOCXDRN-CYBMUJFWSA-N 416.477 4.534 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587097454 IBTLXXHOMLMJJH-UHFFFAOYSA-N 413.193 4.722 0 1 HJAF Cc1cc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1C 587106381 ATFTYQZWWYKOBH-QGZVFWFLSA-N 423.460 4.724 0 1 HJAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587131780 CLUGHHUQUCOKMD-UHFFFAOYSA-N 403.479 4.501 0 1 HJAF Fc1cc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)cc1Br 587136182 LBIWGFUTJIJXLP-UHFFFAOYSA-N 406.987 4.567 0 1 HJAF Cc1cc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144327 IIBYGXYUGTZOFO-UHFFFAOYSA-N 416.334 4.851 0 1 HJAF Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587178170 SXFBJYRPLBRREM-UHFFFAOYSA-N 411.103 4.576 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccncn2)[C@@H]1c1ccc(F)cc1 587343993 FAFGBQXCRLPCCD-NOZRDPDXSA-N 412.420 4.624 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 587352098 LSVNEBYHPHKWOS-BVVSVSJTSA-N 418.420 4.506 0 1 HJAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SCC(=O)O 587530670 DCATWLKCJAAYSS-QHCPKHFHSA-N 412.507 4.631 0 1 HJAF C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554575 IUCBFFGSEOWDQH-NQIIRXRSSA-N 412.344 4.591 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(C2CCCCC2)nc1 587589510 XIMSFRPPDHYDRI-REWPJTCUSA-N 402.450 4.933 0 1 HJAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C 587597225 UIDUINSZFDKJAX-ZJSXRUAMSA-N 406.434 4.891 0 1 HJAF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)OCC)c1C 587632803 QRAAMCGDTYLBRJ-UHFFFAOYSA-N 406.841 4.926 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cccc(F)c1 587655594 NZXIXVTUIRMYSO-UHFFFAOYSA-N 411.408 4.726 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)n2)N1 587680291 IIXZEXASEAYAIC-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2ccc(Cl)cc2)N1 587702999 QHIWBKQUPKLGEK-PWXOESSWSA-N 424.697 4.660 0 1 HJAF Cc1cc(Cl)c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587706337 PLAQSGWLDBMNQW-DYZYQPBXSA-N 408.702 4.821 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587711450 GUAVNGMMZOXYIC-ZKANADHPSA-N 403.217 4.934 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ccc(F)cc2)N1 587727762 DHHKEIRLNLDTJP-JEOXALJRSA-N 404.258 4.537 0 1 HJAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587741033 LNDYFQNYJSBNKT-LRTDBIEQSA-N 421.354 4.672 0 1 HJAF COc1cc(/C=C/[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587810890 YHRIZMRGGQBWMH-FRGAOCEISA-N 406.295 4.765 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3nc(Cl)sc3C2)N1 587857648 MGOGQBWFLDSNDX-VPTHRUTESA-N 401.732 4.617 0 1 HJAF CCOC(=O)CCC[C@]1(c2cccc(F)c2)NCCc2cc3cccc(OC)c3nc21 963059207 SVNASZITKBBUEC-RUZDIDTESA-N 422.500 4.505 0 1 HJAF CCCOc1cccc([C@@H](CCO)NC(=O)c2ccc(-c3ccncc3F)cc2)c1 1857597275 GJTKLPKXONYFLD-HSZRJFAPSA-N 408.473 4.530 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@@]1(O)c3cc4c(cc3O[C@H]21)C=CC(C)(C)O4 2356390829 DPZTXOLAMWJVIS-ILBGXUMGSA-N 406.478 4.799 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)C3=CC[C@H]([C@H]4COC(=O)C4)[C@@]3(C)CC[C@H]21 2356415472 MBJLOOMSTRIRSW-XSRXOKSFSA-N 412.570 4.903 0 1 HJAF CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccccc1Br 13584809 SNAFYADXBXWJBH-UHFFFAOYSA-N 417.351 4.869 0 1 HJAF O=C1C(=O)N(CN(c2ccccc2)c2ccccc2)c2cccc(Br)c21 45388140 XTJSHYYOSCHZSZ-UHFFFAOYSA-N 407.267 4.774 0 1 HJAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 82066629 MIIIIQLBDDVLFR-IRXDYDNUSA-N 411.550 4.899 0 1 HJAF c1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccccc3)s2)cc1 82162889 BSPARGWOPRCCLF-UHFFFAOYSA-N 400.507 4.771 0 1 HJAF N=C(N)SCc1cc(F)ccc1Sc1cc(F)c(F)cc1CSC(=N)N 84689411 FNXDTKKOGLILRY-UHFFFAOYSA-N 416.519 4.508 0 1 HJAF NC1=N[C@](c2cccc(-c3cncnc3)c2)(c2ccnc(C3CC3)c2)c2cccc(F)c21 95577003 HLZIYZMSCOXBTI-AREMUKBSSA-N 421.479 4.566 0 1 HJAF CCc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1 113391587 PGRHZTBEICPEBM-UHFFFAOYSA-N 409.497 4.664 0 1 HJAF NC[C@H](F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 169327213 VKFCGHMVOYNDAB-NSHDSACASA-N 400.089 4.616 0 1 HJAF COc1cccc(CN2CCN([C@H](c3ccccc3C)[C@H](O)c3ccccc3)CC2)c1 169332192 RRGKQTGEVMIBRV-KAYWLYCHSA-N 416.565 4.596 0 1 HJAF CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261192057 ZOJYMCBGKBJTGD-KCZVDYSFSA-N 412.618 4.912 0 1 HJAF Oc1nc(S)nc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072185 XFZMPQZASIRGCW-RMKNXTFCSA-N 410.886 4.750 0 1 HJAF O=S(=O)(Nc1cc(-c2nc3cccc(O)c3[nH]2)ccc1Cl)c1ccc(F)cc1 587171669 UEPLUIUDLKBISY-UHFFFAOYSA-N 417.849 4.529 0 1 HJAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327926 IGDHJIWJFULRJT-WMZHIEFXSA-N 423.827 4.700 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Br)cc3)nc1C)O2 587370592 GRFLWPUZQIBTFB-IBGZPJMESA-N 412.287 4.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)O2 587399374 INZIXGMDFYRGNX-SANMLTNESA-N 415.489 4.946 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1O)(c1ccc(OC)cc1O)CC2=O 587484199 XEFDDETYSRSRPK-RUZDIDTESA-N 420.461 4.674 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c(F)c1 587552613 AGDLCAFROSETII-ZJSXRUAMSA-N 405.425 4.834 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1OC(F)F 587552698 BKFRKAMKSHZWOY-YLJYHZDGSA-N 402.324 4.836 0 1 HJAF Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575769 DEQNJVDETBHJAG-ZEQKJWHPSA-N 409.441 4.880 0 1 HJAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580487 IIIJLIWQGPFMFV-RCZVLFRGSA-N 412.445 4.898 0 1 HJAF CCCCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587615563 YLNUBJRDQWLAIM-WIYYLYMNSA-N 408.479 4.777 0 1 HJAF COc1cccc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587622140 BDZWNFADIBZENZ-UHFFFAOYSA-N 420.213 4.984 0 1 HJAF CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 587666631 ZPPHORJQSBHUQL-UHFFFAOYSA-N 420.900 4.653 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)F)cc2)N1 587714068 GANOHXGAQNBTBA-YPMLDQLKSA-N 400.238 4.856 0 1 HJAF CCOc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C 587753611 BGPQIMGWZVJMGW-BUXKBTBVSA-N 424.358 4.771 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cnn(C)c3)cc2)N1 587760354 PFFIVQYXIYKTGP-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccccc2)N1 587762028 COPKMEWYFBLEAT-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775615 SKGTYSOGOZMHPN-ODXCJYRJSA-N 412.306 4.977 0 1 HJAF CCOC(=O)C(CC)(CC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797680 MVEIUHUHXIEWPF-KPZWWZAWSA-N 400.332 4.707 0 1 HJAF CCNC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962670952 VODMHFNKOREJMP-MHZLTWQESA-N 409.533 4.669 0 1 HJAF CC1=CC2(C=C(C)N1C[C@@H](C(=O)O)c1ccccc1)NCCc1c2sc(C)c1C 963016082 XIQKPUJZSDJWBV-OAQYLSRUSA-N 408.567 4.698 0 1 HJAF COC(=O)c1ccc(COc2ccc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2)o1 963097967 OLODOHQNQBKRCB-YADARESESA-N 421.468 4.894 0 1 HJAF C[C@@]1(c2cncc3ccccc23)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963181639 ORCSPNDEOGGDED-UZLBHIALSA-N 420.818 4.769 0 1 HJAF COc1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)s2)cc1 963233646 PGQZFCSZTVJKNR-REWPJTCUSA-N 416.502 4.660 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(-n2ccnc2)c(F)c1 963280090 MDQWVMGSIDTTHY-HXUWFJFHSA-N 400.295 4.525 0 1 HJAF CC(=O)c1ccc(-c2cccc(NC(=O)CCc3cccc4c3[C@@H](O)OC4)c2)cc1 1857550858 YSUQBGXBUMVSIU-VWLOTQADSA-N 401.462 4.649 0 1 HJAF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356402408 GMAUEXPAYZYHFY-RJHQSSCESA-N 404.635 4.940 0 1 HJAF CCC(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](C)(CC(=O)OC)O2 2356570661 QTUISSYYAYQHML-LKDDOFHYSA-N 406.563 4.973 0 1 HJAF CC(C)=CCc1c(O)ccc([C@H]2COc3cc4c(c(CO)c3C2)CCC(C)(C)O4)c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c1cc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)cc(OC)c1OC 82082449 CZAWVOUMQCSHMD-UHFFFAOYSA-N 412.396 4.673 0 3 HJAF O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205223127 VJKKMGURNLBEFC-IAQYHMDHSA-N 413.663 4.661 0 3 HJAF CC[C@@H](C)OC(=O)/C(Br)=C1/OC(=O)c2ccccc2-c2ccccc21 1644148 OIQVXJKBGVCCMO-NUMWXTGKSA-N 401.256 4.929 0 1 HJAF CCCc1oc(CCCCCCCCCCC(=O)[C@@H](CO)NC(C)=O)c(C)c1C 13382607 YPJUZEMVAYYXAV-OAQYLSRUSA-N 407.595 4.968 0 1 HJAF biogenic Cc1cc(Cl)cc(NC(=O)Cc2ccc(O[C@]3(C(=O)O)CC[C@@H](C)C3)cc2)c1 27527148 RBEROMJIQJWAOZ-JLCFBVMHSA-N 401.890 4.852 0 1 HJAF CC1(C)Cc2cc(OCc3ccc(-c4nnn[nH]4)cc3)c(Cl)c(Cl)c2C1=O 28343717 XIXNRVYHFCYTSQ-UHFFFAOYSA-N 403.269 4.518 0 1 HJAF CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccccc1C)Nc1ccccc1S2 40866376 QAFUEKCKJPTTAR-UHFFFAOYSA-N 417.534 4.898 0 1 HJAF Cc1cc(OCCCNC[C@H]2CCCCN2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49052744 VZDPSNVQCGPKJJ-LJQANCHMSA-N 424.564 4.829 0 1 HJAF CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC3(C)CC3)cc2C1 68245829 HFAQOKDYJOWLNG-XMMPIXPASA-N 418.581 4.605 0 1 HJAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O 94156249 ITVZAHAQSAAKJV-BJKOFHAPSA-N 408.494 4.793 0 1 HJAF in-vitro CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO 95877437 KNXXJNTZRSGYOL-NQHRYMMQSA-N 416.496 4.507 0 1 HJAF COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(C(C)=O)cc1 96177163 FCVIPWKIFDNAMQ-NRFANRHFSA-N 403.482 4.668 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccccc45)ccc31)[C@@H]1CC[C@@H](C2)N1 100632426 NWHVHIGJPJTYST-JXFKEZNVSA-N 402.519 4.514 0 1 HJAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]n(-c2ccc(Cl)cc2)c1=O 141071497 LBPOHGHCOAGGPO-UHFFFAOYSA-N 401.171 4.722 0 1 HJAF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccccc1)C[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]12 169319065 BXNNFPHCTNPRQD-CNAKYOPWSA-N 402.538 4.733 0 1 HJAF C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1Cc1nnnn1C2 169321558 HYYNSXGYEHMVGW-AGDMDRQQSA-N 400.526 4.571 0 1 HJAF CCN(CC)c1ccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)cc1 205095031 NIOBMWMGHYVNKD-UHFFFAOYSA-N 414.431 4.953 0 1 HJAF CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3cccc(Cl)c3)c2)cc1 576642902 NMYYLDWVJNVYLJ-UHFFFAOYSA-N 413.926 4.982 0 1 HJAF CCS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2c1 586879280 GTQPXGLVCHTIAH-UHFFFAOYSA-N 420.490 4.697 0 1 HJAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5ccccc5cc4[nH]3)CC2)cc1 586955354 WHLNOFJTROTAGZ-UHFFFAOYSA-N 405.523 4.593 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](CO)(c1ccccc1)C3 586989904 ANMLVASWVZTMBI-HHHXNRCGSA-N 407.469 4.571 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587042554 MBCXWEKZBXQIMR-INIZCTEOSA-N 405.882 4.642 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc(C)c4[nH]3)nc2n1 587115105 NVNGWEFRRNMWDM-UHFFFAOYSA-N 406.437 4.732 0 1 HJAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1 587144801 AWLHACLDPANKQW-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF CC(C)(C)OC(=O)NCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336110 LLSTWNKPOPVKII-XXBNENTESA-N 415.461 4.564 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)O2 587377455 INGAAQSERQAFEC-HSZRJFAPSA-N 407.853 4.838 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1C(C)(C)C)[C@@H](C2)C3=O 587433440 YFCAHMNYWXWQJS-MBSDFSHPSA-N 402.494 4.726 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(CCC(=O)O)c3ccccc13)CC2=O 587471501 SDFNHSPPZFFWGM-DEOSSOPVSA-N 407.466 4.655 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 587573693 WRZQDVGKZCJUIV-RDPSFJRHSA-N 416.408 4.635 0 1 HJAF CCO/C=C(\Cl)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705700 NWZNIGAEPNPMHX-GLBZOJELSA-N 416.640 4.997 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)nc2)N1 587713747 UNZFIOJHLVDIOA-JDNHERCYSA-N 419.216 4.548 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCN(C)C)cc2)N1 587740743 KMFPDDVHUWTUJD-SPLOXXLWSA-N 421.354 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cnccn2)N1 587773087 HXGSJIBVTREFOY-ODXCJYRJSA-N 414.278 4.794 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)cc2)c1 587781340 UCHLITGBJDWKKI-UHFFFAOYSA-N 401.466 4.519 0 1 HJAF COc1ccc2[nH]cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587801097 DMRGLNUFXUDVNO-PRWKNARSSA-N 403.295 4.876 0 1 HJAF COc1ccc(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587808938 ORWIEWYTHLTVCU-ODXCJYRJSA-N 406.295 4.619 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC21CCOCC1 587832242 BCAYBWNMYBYWAZ-FPTDNZKUSA-N 416.334 4.719 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3sccn23)N1 587853578 AKMRQSCMLDUJPS-VPTHRUTESA-N 414.731 4.749 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1CCCCCC1 587863544 NBRSXTDUGWCMKF-OAHLLOKOSA-N 409.452 4.730 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1cccc(Cl)c1C 587867234 VIDGWNXXZQQMSJ-UHFFFAOYSA-N 424.810 4.687 0 1 HJAF COC(=O)c1ccc([C@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)s1 962633721 GLLNEMRIGGZYSI-NLFFAJNJSA-N 418.562 4.545 0 1 HJAF CC(=O)c1ccc(NC2=C(Cl)[C@]3(C[C@H](C)C2)NCCc2nc4ccccn4c23)cc1 962981030 CRLDUUAUPQBHPQ-MYYSRTQBSA-N 420.944 4.870 0 1 HJAF Cc1ccc(CC[C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1C 963512532 XBZWCEGHTYKOEV-HOFKKMOUSA-N 415.533 4.793 0 1 HJAF COc1ccc(-c2c(O)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 1857534079 WTNAYGAYTPXDSV-UHFFFAOYSA-N 409.445 4.738 0 1 HJAF O=C1C[N@]2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 1857623628 GDBRNGAUUMNIRB-CLOONOSVSA-N 407.728 4.787 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C 2356653536 GGMWMNYLFJKWII-CEIIXGCISA-N 416.514 4.955 0 1 HJAF CCCCOC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OCC)cc21 13473363 OEQAMLQTNPNUOX-OAQYLSRUSA-N 412.438 4.560 0 1 HJAF O=C(NCc1ccccc1)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829044 QZWRNVPOJNCYBM-PZNLSKEWSA-N 403.444 4.974 0 1 HJAF O=C(N[C@H]1CCN(CCc2ccc(C(F)(F)F)cc2)C1)C12CC3CC(CC(C3)C1)C2 26499986 HHMKDUSRGJSDGA-FCSDKFEESA-N 420.519 4.655 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 34801265 NVBZLUSKXDCJBQ-AQJNIWJSSA-N 402.623 4.580 0 1 HJAF Cn1c(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc2cnccc21 40762401 BGJTWRJFCYYJRR-UHFFFAOYSA-N 400.869 4.856 0 1 HJAF O=C(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(C(F)(F)F)cc1 45193563 ZHZRYBCSWASTAA-INIZCTEOSA-N 419.834 4.916 0 1 HJAF COc1cccc(-c2cc(C(=O)Nc3ccc4[nH]c(-c5ccccc5)nc4c3)[nH]n2)c1 45230901 NHSFBGGIGXXCHY-UHFFFAOYSA-N 409.449 4.881 0 1 HJAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)Nc1cccc(F)c1 58601993 POHRSBLYZIRFBO-RKRMHJIESA-N 410.533 4.678 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCc2nccnc2[C@H]1c1ccc(C(F)(F)F)cc1 59185683 JDUBVWRDXFALAF-LJQANCHMSA-N 416.378 4.814 0 1 HJAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)N2C1=O 66102130 VMUZDXCLODOOOJ-MJGOQNOKSA-N 414.292 4.773 0 1 HJAF Cc1nnc(C)n1-c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c(Cl)c1 118257835 DJQBIUNDQQIVDC-GMAHTHKFSA-N 408.933 4.678 0 1 HJAF c1ccc(-c2csc3ncnc(N4CCC(OCCCN5CCCC5)CC4)c23)cc1 146621454 TXNSMRBWDLPIQO-UHFFFAOYSA-N 422.598 4.830 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H](C3)[C@@]12CO2 238738242 KTPSVDHGTNWZOZ-HSBRUWHWSA-N 416.558 4.741 0 1 HJAF biogenic CCCCS(=O)(=O)N[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C 586933206 NLEAZCYXEYUFAX-AWEZNQCLSA-N 409.499 4.591 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)ncc3[nH]2)c1 587049703 ULYZZSDLZZFWIB-VOTSOKGWSA-N 418.284 4.655 0 1 HJAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC[C@H]1CO1 587209525 QLKDRAPCFVRDBH-MRXNPFEDSA-N 409.441 4.899 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(Br)ncc13)CC2=O 587461839 ZLWLIHAGDZPWBI-QGZVFWFLSA-N 401.260 4.690 0 1 HJAF O=C(c1cc2ccccc2o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657159 XHFOSHFGRXQPTN-UHFFFAOYSA-N 402.356 4.776 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2F)N1 587731926 MAHFSMBVODMVPQ-NZFNHWASSA-N 418.079 4.508 0 1 HJAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587762289 SDRIHHPTRNNYHB-RCDCFZSISA-N 411.359 4.519 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ncccn3)c2)N1 587775954 VGAAVOUWSWBMGL-BLVKFPJESA-N 414.278 4.794 0 1 HJAF COc1cccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587808405 NNUCRDYKRMSOOQ-MPBGBICISA-N 406.295 4.619 0 1 HJAF COc1cc2c(cc1OC)[C@]1(C=C(NNc3ccccc3)C[C@@H](C)C1)N(C)[C@@H](C)C2 962557497 AAJKEBNUUVUQNH-UZEJHQAJSA-N 407.558 4.706 0 1 HJAF CN(C)C(=O)[C@@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1 1772589752 QSCIEVZIBBMBBN-OAHLLOKOSA-N 404.489 4.591 0 1 HJAF CC(=O)Nc1sc2c(c1-c1nc3cc(-c4ccncc4)ccc3s1)CCNC2 1857599886 WQFMCNPNGJKHSI-UHFFFAOYSA-N 406.536 4.691 0 1 HJAF CO[C@H](C=C[C@H]1CCC(=O)O1)CCCCCC=C(Br)Br 2356635178 VKOGIGKSQGLZNY-STQMWFEESA-N 410.146 4.845 0 1 HJAF O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 28384515 XXWCRJDSHQFXNC-UHFFFAOYSA-N 412.961 4.721 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(F)c1 36189332 POHRSBLYZIRFBO-MNLGXKRNSA-N 410.533 4.678 0 1 HJAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCCF)cc2)nc2ccc(Cl)cn12 40845628 YFXIZOLPHFYYMF-UHFFFAOYSA-N 417.912 4.804 0 1 HJAF CC(=O)Nc1ccc(CN(Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)cc1 45227403 XLMCTMUTHUJCHU-UHFFFAOYSA-N 406.457 4.715 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CCc1ccccn1 82180343 IRNGFWXFWZGJLH-UHFFFAOYSA-N 400.530 4.583 0 1 HJAF CN(C)CCN1C(=O)c2cccc3cc(-c4cccc(C(F)(F)F)c4)cc(c23)C1=O 96939903 ZEEBXWBWCNKNFD-UHFFFAOYSA-N 412.411 4.683 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(SC)cc2)nn1C 103178847 DYROIPGNMVGBBT-HMMYKYKNSA-N 424.522 4.548 0 1 HJAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](Cc2ccccc2)c2ccccc21 103225233 XRSVQCVOLXXZHN-BWKNWUBXSA-N 414.549 4.642 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104075520 VAXZRGGYNXYUGT-VBKZILBWSA-N 401.890 4.870 0 1 HJAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(Cl)c4)cc3=O)cn12 223416711 QNVFWMGJWHJVJJ-UHFFFAOYSA-N 411.914 4.965 0 1 HJAF Cc1ccc(C2=Nc3c(N)ncnc3N[C@H](c3sc(Cl)nc3Cl)C2)cc1 299854662 AFQBGJZSKGSXJP-NSHDSACASA-N 405.314 4.808 0 1 HJAF COc1cc2c(cc1OC)[C@H]1c3cc(OC)c(OC)cc3[C@H](C2)N(CC2CC2)[C@@H]1C 473245291 XGGFHAWXBHYJDK-VZYSNPOVSA-N 409.526 4.564 0 1 HJAF Cc1c(F)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586962665 YBTDYSDKYPZFTC-YSGRDPCXSA-N 413.518 4.705 0 1 HJAF Cc1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1Br 586979645 STGPGPZPRDTUPU-UHFFFAOYSA-N 408.303 4.836 0 1 HJAF CCOC(=O)C[C@@H](C(=O)CC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587106760 NXBICCXLDCSGHS-SFHVURJKSA-N 401.462 4.771 0 1 HJAF O=C(c1ccc(-c2ccccc2F)o1)c1c(CO)oc2cc(Br)cnc12 587276162 LVPNDVQTIIMLRQ-UHFFFAOYSA-N 416.202 4.713 0 1 HJAF C[C@]1(CC(=O)Nc2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340533 YGNGWRQQTJYSPQ-LADGPHEKSA-N 423.415 4.817 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](S(C)(=O)=O)CC3)c1 587364814 HZVMKVADSYBJAB-INIZCTEOSA-N 407.491 4.559 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)c(Br)c1)[C@@H](C2)C3=O 587413394 NYLIXDWJLKBHIZ-XOBRGWDASA-N 403.272 4.734 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452519 DOTAFFRXGWHYMI-KIVTUJJHSA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)CC2=O 587478468 SICXKEZTVFUZPY-QHCPKHFHSA-N 403.519 4.858 0 1 HJAF O=C1C[C@H](c2ccc(I)cc2)Oc2c1ccc1c2CCCC1 587500904 AJSTUJYODHNEER-GOSISDBHSA-N 404.247 4.877 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1C(F)(F)F 587545681 HDJVTECIKCUDGT-FXAWDEMLSA-N 402.324 4.820 0 1 HJAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC 587599412 XGYOALATBFRVBS-GBXCKJPGSA-N 406.434 4.893 0 1 HJAF Cc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587610626 QBFLOVIXQZJTBU-RDPSFJRHSA-N 400.386 4.510 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1 587723825 CJZLPUYZPXLPEN-JEOXALJRSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc(F)cc2)N1 587737789 ZXDIUQCXZJFJQI-GIPWTMENSA-N 418.285 4.751 0 1 HJAF CCc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587743956 QIGBZNVUNHLZJM-YEJXKQKISA-N 419.338 4.929 0 1 HJAF Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1 587751815 AXJLSYHBSJQYND-MPBGBICISA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnc2)N1 587752042 BKQHLLOHQUETLQ-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF CCOc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1CC(C)C 587753618 BGPQIMGWZVJMGW-HXPMCKFVSA-N 424.358 4.771 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587775613 SKGTYSOGOZMHPN-FKIZINRSSA-N 412.306 4.977 0 1 HJAF COc1ccc(CCCc2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c1 587928538 IZNVRBLSPMVMRE-UHFFFAOYSA-N 410.699 4.566 0 1 HJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(c1ccc(Cl)cc1)c1ncc[nH]1 962719550 VXQNCXGJNRPPIQ-JTSKRJEESA-N 413.949 4.858 0 1 HJAF CNc1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1 1772580332 YVLCRJQXUAOMDM-UHFFFAOYSA-N 402.477 4.516 0 1 HJAF O=C(NCc1ccccn1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772627421 NVDSNVGBQFBFSJ-UHFFFAOYSA-N 424.382 4.766 0 1 HJAF C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl)c1ccccc1 1857579554 JIEBHKJKDRMVCK-NSHDSACASA-N 411.911 4.910 0 1 HJAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(CC)s3)N2C1=O 1857653686 MHKSTLAWFJQTLC-WIYYLYMNSA-N 407.539 4.870 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](OC(C)=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]12 2356561365 AGNUMQPIOAPNHN-DDBARYAYSA-N 418.574 4.708 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=CCN(CC(=O)O)C=C3CC[C@@H]21 2356866249 WOEJKJRYYMIVPV-VPTPGNQDSA-N 415.574 4.783 0 1 HJAF c1cc(OCc2cccc(-c3nnn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1 3790842 WLGCQGMQMAOULL-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF COc1cc2c(c(OC)c1)C(C)=[N+](c1ccc3cc(C)cc(OC)c3c1O)[C@H](C)C2 13359279 WXOAABREETYYJH-OAHLLOKOSA-O 406.502 4.977 0 1 HJAF biogenic CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2nc(C)sc2C(=O)O)cc1 27305415 XKFFPOLZLYARRH-UHFFFAOYSA-N 419.934 4.550 0 1 HJAF CCOP(=O)(Cc1ccc(-c2nc3cccc(F)c3c(=O)n2C)cc1)OCC 29224636 FBPOLQFQCXTFCF-UHFFFAOYSA-N 404.378 4.506 0 1 HJAF Cc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1Cc1ccccc1 40901060 WCPKDUQRMRUCGB-UHFFFAOYSA-N 402.881 4.880 0 1 HJAF C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 45495592 XNLMDBSIIYVFNI-CRAIPNDOSA-N 407.341 4.542 0 1 HJAF COC(=O)CCc1ccc(-c2ccc(-c3ccc(OCC(=O)OC)cc3)cc2)cc1 62241629 QTHWLISJGSQKGM-UHFFFAOYSA-N 404.462 4.678 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C1 82217048 FEEYCIMMQCJYJO-ZWKOTPCHSA-N 410.537 4.924 0 1 HJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(-c2cccnc2)c1 100035743 AOQPAHOCLWJZQQ-HFEWCJDKSA-N 406.482 4.950 0 1 HJAF O=C(Nc1nc2ccccc2s1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 100658470 SQIWFSKMYLOUDU-FQEVSTJZSA-N 411.486 4.796 0 1 HJAF CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 101638154 PXORDJUYHQIUMZ-QRTMHTFLSA-N 403.542 4.542 0 1 HJAF CCOC(=O)c1sc(-c2ccccc2)nc1N1CCC(NCc2ccccc2)CC1 103278132 WQLRVUVIOVNHGP-UHFFFAOYSA-N 421.566 4.745 0 1 HJAF COc1ccc2c(c1F)CC[C@@]2(Cc1ccc(C(F)(F)F)cc1)c1cn(C)c(N)n1 115348471 SIEBIQZHYVEHDM-NRFANRHFSA-N 419.422 4.644 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 116016324 JZYKDHQGLRFNFN-UHFFFAOYSA-N 410.260 4.867 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116824963 HWBHNCKNXGKGOR-NBGIEHNGSA-N 420.516 4.648 0 1 HJAF O=C(NCCc1ccccc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 139418691 BJLORBULKWAHFB-UHFFFAOYSA-N 410.477 4.985 0 1 HJAF C[C@@H]1c2[nH]nc(C(F)(F)F)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 226022640 TWKJBIQGDZQHBV-SSDOTTSWSA-N 411.733 4.860 0 1 HJAF COc1ccc(C(=O)O[C@@H]2C[C@]3(O)[C@@H](C(C)C)CC[C@]3(C)CC=C2C)cc1OC 238730678 FRTKCHBXZYXDGA-JIYUALFRSA-N 402.531 4.773 0 1 HJAF CC[C@H](C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261133226 LOLIGPMPSPGNGJ-ZJOUEHCJSA-N 414.590 4.706 0 1 HJAF C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnc(-c3ccc(F)cc3)n21 473100532 HZFBDSBFUYCNMB-NSHDSACASA-N 405.260 4.608 0 1 HJAF Ic1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1 473113053 HJRLKDIMLVXLTP-UHFFFAOYSA-N 419.262 4.930 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)nccc4[nH]3)c(=O)oc2c1C 586918773 SQQTUMCSZVBGBZ-UHFFFAOYSA-N 403.482 4.925 0 1 HJAF C[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc(Cl)cn1 587079588 LIRBPNMTCDRMFO-ZCFIWIBFSA-N 409.593 4.683 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)cc(F)c5O)[nH]c4c3)o2)cc1 587134915 WKPOWNAHGCHLKZ-UHFFFAOYSA-N 420.375 4.939 0 1 HJAF N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F 587143121 XFJDGXPLHNGEKH-LBPRGKRZSA-N 420.179 4.865 0 1 HJAF COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(I)c1 587179421 AFMBHKUYJJSBBX-UHFFFAOYSA-N 420.037 4.545 0 1 HJAF O=C(/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccccc1 587244074 LABNONSNAHFJOR-CMDGGOBGSA-N 410.193 4.996 0 1 HJAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc2O1 587335421 WSTMHKXVTMENHS-FYYLOGMGSA-N 424.811 4.748 0 1 HJAF CCOC(=O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344089 BVXTZTBGDMJRBE-SDHJUTELSA-N 412.457 4.772 0 1 HJAF C[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353299 YQVPGQNGRDPRDL-ZCYQVOJMSA-N 417.436 4.690 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)O2 587381248 DPAKIONNATUHQV-KRWDZBQOSA-N 415.371 4.885 0 1 HJAF Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531113 IJPCXORGOXILFE-NZVDAZKMSA-N 402.446 4.652 0 1 HJAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554689 DRYOFNVZFQFJJF-XXBNENTESA-N 412.388 4.946 0 1 HJAF COc1cccc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)on2)c1 587586898 LNEBTZATODQLKG-URXFXBBRSA-N 415.401 4.759 0 1 HJAF CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598397 ULFNXPIJISHRDN-RCZVLFRGSA-N 418.445 4.511 0 1 HJAF O=C1COc2ccc(-c3[nH]c4cc(Cl)c(F)cc4c3C(=O)C(F)(F)F)cc2N1 587630106 RRBVFELLGXJIMS-UHFFFAOYSA-N 412.726 4.703 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(F)(F)F)(c2ccccc2)N1 587716754 DURLJQLQGKRHRX-APPDUMDISA-N 418.228 4.902 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2OC(F)(F)O3)N1 587723940 ZRIZFCWXKHLZHX-XLFHBGCDSA-N 414.221 4.707 0 1 HJAF CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587744669 SFJBQVOCUOOBRY-YUNKPMOVSA-N 405.311 4.653 0 1 HJAF COc1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C)c2c1 587754418 DLDXDDKHLBIQRX-PRWKNARSSA-N 403.295 4.712 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cnn(C)c3)c2)N1 587762694 ZNJFJZFCJUMLAH-ODXCJYRJSA-N 400.295 4.612 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)c(F)cc4[nH]1)(C3)C2 587949877 DUSQSJBHFIHRFG-ORMMXULVSA-N 407.283 4.618 0 1 HJAF C[C@@H](Sc1ncccn1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 653709062 SCLWBCPVUBQIKG-CQSZACIVSA-N 406.536 4.796 0 1 HJAF O=C(Nc1ccccc1O)[C@H]1CCc2ccccc2N1C(=O)c1cccc(Cl)c1 653823149 KTTFLKQJULJXJG-HXUWFJFHSA-N 406.869 4.646 0 1 HJAF Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccncc4)ccc3ncc21 653851544 JJNGDBUVKJLPLT-UHFFFAOYSA-N 420.394 4.958 0 1 HJAF Cc1sc2c(c1C)CCN[C@@H]2c1cccc(N2CCN(Cc3ccccc3)CC2)c1 963014197 UOTBKTLELVXVOF-RUZDIDTESA-N 417.622 4.922 0 1 HJAF Fc1ccc([C@@]2(CCC3OCCCO3)c3ccc(F)cc3C[C@@H]3CCCN32)c(F)c1 963096677 GAFFJKQXHFNWCO-YADARESESA-N 417.471 4.911 0 1 HJAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 1857758071 YCAAYMDCGUBOGP-GGKRXXEVSA-N 402.531 4.541 0 1 HJAF CC(C)=C[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4[C@@H]5C(=CC[C@H]23)C(=O)O[C@H]5C[C@@]4(C)O)O1 2356521720 JRMCJWMKLHLRLM-HDUXXQFKSA-N 400.559 4.565 0 1 HJAF CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCS(=O)(=O)O 2356859836 TYXNNWKTONWEJH-UHFFFAOYSA-N 409.592 4.912 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)c1 61907666 OAFKQKYUYYXBQL-HXUWFJFHSA-N 414.502 4.522 0 3 HJAF COc1ccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=O)cc1 2125489 XHEGKZPYJYUHRI-VWNXMTODSA-N 423.472 4.659 0 1 HJAF biogenic Cc1ccsc1CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 6769986 CTNJZGHQANPMMS-UHFFFAOYSA-N 412.580 4.594 0 1 HJAF Cc1cc(C(=O)Nc2cccc(C(=N)N(C)C)c2)n(-c2cc3ccccc3cc2F)n1 28235207 CUJLYSLKCQYOMP-UHFFFAOYSA-N 415.472 4.612 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(OC(=O)c5ccccc5)CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 28524032 OSYWTSQHPJGAAD-SSJCFSABSA-N 410.554 4.939 0 1 HJAF COc1ccc(-c2ncc(C(=O)NC3CCCCC3)nc2-c2ccc(OC)cc2)cc1 28648892 HOAIFTWDCHXJRY-UHFFFAOYSA-N 417.509 4.890 0 1 HJAF CC(C)C(=O)Oc1ccc2c(c1OC(=O)C(C)C)-c1cccc3c1[C@@H](C2)N(C)CC3 33754818 VNUZLUGZUNVCTB-LJQANCHMSA-N 407.510 4.562 0 1 HJAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2cccc(F)c2)c1N 45350219 BLYXYHKZTFJGFF-UHFFFAOYSA-N 415.424 4.525 0 1 HJAF COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@@H]1NC1CCC1 96172026 PDSCEQHAJQJUHG-WFASDCNBSA-N 417.493 4.556 0 1 HJAF COc1cccc(OC)c1[C@H]1CCCCC(=O)N1Cc1cccc(N2CCCC2)c1 166314596 YGNNSLBDINPURJ-OAQYLSRUSA-N 408.542 4.948 0 1 HJAF C[C@@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@@H]1c1ccc(O)cc1 238758127 GGPZVBXSSCKWFL-MYYSRTQBSA-N 404.462 4.931 0 1 HJAF CSC1=N[C@H]2C(=C(O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1 253634614 HDOFHDIMICWWKS-MRXNPFEDSA-N 407.517 4.892 0 1 HJAF Cc1c(Cl)ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586946212 UPJFGXVVLXSDRK-UHFFFAOYSA-N 423.972 4.793 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5cc(Cl)cn5)[nH]c4c3)o2)cc1 587082591 SUTHMTUTJQYLFB-GFCCVEGCSA-N 420.860 4.748 0 1 HJAF O=C(N[C@@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O)OCc1ccccc1 587104204 OTZGTSZTYZWLKE-OAQYLSRUSA-N 406.441 4.970 0 1 HJAF CC(C)N1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339697 QVYZNLKQIZCZSE-CRYGWMRFSA-N 409.501 4.769 0 1 HJAF CCN(CC)c1cccc(Br)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414039 REVAMGUVEGXDQH-SPLOXXLWSA-N 416.315 4.793 0 1 HJAF COc1ccc2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2c1 587657241 SCAQIHGSYBVRQS-UHFFFAOYSA-N 421.428 4.949 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1 587724448 IBWAEHYIVVCVCN-JEOXALJRSA-N 404.258 4.537 0 1 HJAF CCc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587743952 QIGBZNVUNHLZJM-ASSNKEHSSA-N 419.338 4.929 0 1 HJAF CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869376 IIEFFBPMWCSRDU-CYBMUJFWSA-N 414.497 4.912 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)c(Br)c1 587869438 JPPXZBCAAJURPZ-UHFFFAOYSA-N 419.250 4.548 0 1 HJAF COc1cccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)c1 587938839 DCACBAVLAWCYBA-UHFFFAOYSA-N 411.255 4.875 0 1 HJAF Cn1nc(Nc2nc(NCCC3CCOCC3)nc3ccccc23)cc1C(C)(C)C 653876652 MTZKNVJDWNCGBG-UHFFFAOYSA-N 408.550 4.633 0 1 HJAF Nc1ccc2c(c1)[C@@]1(NCCc3cc(-c4ccccc4)ccc31)c1ccccc1C2=O 962660978 DLIYSXRTEUROAL-NDEPHWFRSA-N 402.497 4.918 0 1 HJAF O=c1c(Br)c(-c2ccc(N3CCC(F)CC3)cc2)[nH]c2ccccc12 1772655105 GCTVXMHGEVFHFJ-UHFFFAOYSA-N 401.279 4.896 0 1 HJAF CCOC(=O)C(C(=O)OCC)[C@@H]1c2ccccc2-c2ccc3ccccc3c2N1C 1857761671 XTWUCDACIUKSCW-QHCPKHFHSA-N 403.478 4.740 0 1 HJAF CC(=O)OC[C@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@H]21 2356441553 WTBDNHCIGRRPJK-QALHXSLCSA-N 402.531 4.811 0 1 HJAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCOC 2356598524 SVIXFVXVFZFGKC-BHIFYINESA-N 409.611 4.572 0 1 HJAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1 205709238 IMIIHYWRSPJTLG-SWQHDHIYSA-N 409.357 4.683 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCC(C)(C)CO 4273871 QYAFTBZAHSGNDL-MOPGFXCFSA-N 412.933 4.628 0 1 HJAF CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N(C)C 4295597 MEENKTGBICEVBC-ZWKOTPCHSA-N 411.340 4.560 0 1 HJAF S=C1NC2=C(COC/C2=C\c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1 6567717 UCAMLCAAUWNCMK-XWGMLZDCSA-N 403.334 4.880 0 1 HJAF CC(C)C[C@H](NC(=O)c1cc(NCc2ccncc2)ccc1-c1ccccc1)C(=O)O 13796752 FTCZIJXHWDHTQT-QHCPKHFHSA-N 417.509 4.590 0 1 HJAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](COc3ccccc3)O2)c(Cl)c1 26169494 ULBMAQGEGSSJMC-PXNSSMCTSA-N 405.281 4.537 0 1 HJAF O=C1NC(=O)[C@@H](Cc2ccc(OCCn3c4ccccc4c4ccccc43)cc2)S1 29388712 DQEQNNHEUJJNIH-JOCHJYFZSA-N 416.502 4.768 0 1 HJAF Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1ccccc1O 35000905 KDHXYGSAGGQFCL-UHFFFAOYSA-N 409.294 4.749 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccccc1)N1CCc3cc4c(cc3[C@H]1C2)OCO4 58480366 QAKRLRPPLBHIRD-CJFMBICVSA-N 415.489 4.677 0 1 HJAF Cc1ccccc1-c1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)co1 72186276 ZVLBGPZNSCCDLJ-UHFFFAOYSA-N 401.432 4.991 0 1 HJAF CCCC[C@@H](CC)CNc1nc(NC[C@H]2CCCO2)c2cc(OC)c(OC)cc2n1 82125051 PBKCJLOIPWOECE-IAGOWNOFSA-N 416.566 4.866 0 1 HJAF Clc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@@H]2CCCO2)cc1 82178283 GLTGWHXQDXHVAD-IBGZPJMESA-N 419.916 4.938 0 1 HJAF Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2)o1 96923262 HFRHHQLWIVSWFL-WBVHZDCISA-N 422.382 4.514 0 1 HJAF OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccnc2)CCC1 103948811 MREDMAODVDRCKV-LJQANCHMSA-N 407.474 4.776 0 1 HJAF O=C(O)CC[C@@H](Oc1cc(OCc2ccccc2)ccc1C(=O)O)c1ccccc1 140524605 DUTNRXOYHJLZJU-OAQYLSRUSA-N 406.434 4.949 0 1 HJAF Cc1ccc(CCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145741145 LLFCUYYOIIWTAK-UHFFFAOYSA-N 401.514 4.537 0 1 HJAF COc1ccc(N(CC2CC2)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 169304016 BEPQSDSOUDZNBE-UHFFFAOYSA-N 413.949 4.816 0 1 HJAF CC(=O)Oc1cccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 169317232 KCVGBAUEZVAURG-AREMUKBSSA-N 406.570 4.846 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cncc(C(F)F)c3)cc1[C@]21N=C(C)C(N)=N1 169708789 WUJRLQGOZRVKDS-PBSMCPNCSA-N 424.495 4.802 0 1 HJAF O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261102897 GUKSVDQGXPESAC-XYWHTSSQSA-N 410.602 4.666 0 1 HJAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 299875781 DMDNPELBRRZIGL-IVOMFYJKSA-N 418.585 4.853 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3c2)cc1 586907788 XFUPYLIQVHSRNB-BKUYFWCQSA-N 412.401 4.810 0 1 HJAF Fc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1Br 586978900 BXCWZRUWKMYHEF-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF Cc1cc(Br)cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587042495 KYTFLQOMWANYOY-CQSZACIVSA-N 422.735 4.943 0 1 HJAF NC(=O)c1ccccc1OCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104103 NAUXDJWVEDKTFO-UHFFFAOYSA-N 408.457 4.557 0 1 HJAF FC(F)(F)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587114127 WFXGMVGIRXLZKS-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF Fc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1Br 587120008 NGZHCOCQJIYGRV-UHFFFAOYSA-N 417.204 4.607 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2n1 587142738 ASDGVQAZSAYFLV-UHFFFAOYSA-N 411.820 4.880 0 1 HJAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1 587160576 DLBNMGPNIJIKGG-ZJUUUORDSA-N 411.072 4.893 0 1 HJAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343761 DJNYKQGKPBQYDR-GBXCKJPGSA-N 423.440 4.703 0 1 HJAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351690 KTFFPBXBGDEHTM-FSJVBBLMSA-N 412.457 4.786 0 1 HJAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354330 QJNGCKGNFJHUCF-UTLPAIKMSA-N 410.441 4.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)O2 587380646 WVJQOPOPZPQHAC-HNNXBMFYSA-N 403.866 4.679 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1Br 587541419 UMSPBRXASWBZKD-OXQOHEQNSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccncc1 587585946 ITPWNMIAOOJPKL-ZEQKJWHPSA-N 409.441 4.887 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2cccnc2)ccc1O 587586197 JGGWSQCDUDESDT-RDGATRHJSA-N 411.413 4.863 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1 587726762 ZOVBWIBKTJBOEK-NSPYISDASA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587731108 KHIVVWKCRUXXKA-FKIZINRSSA-N 418.285 4.711 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2[C@@H](C(=O)OC(C)(C)C)C2(C)C)N1 587790160 FVGRJVJCJMKEOT-LUDXLNSESA-N 412.343 4.777 0 1 HJAF COc1ccc2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587801708 HWNZTWZGAVOQPO-BIBXISHDSA-N 403.295 4.876 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1 587828101 MGGIOYZPVMFOBW-FVINQWEUSA-N 422.294 4.630 0 1 HJAF CCOC(=O)[C@@]1(/C=C/c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587851490 CECMYMUGUUTREN-YVPBMNAJSA-N 424.335 4.656 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1ccc(C)cc1 587858346 FXXWPWOHZAPREI-UHFFFAOYSA-N 418.280 4.843 0 1 HJAF CN(c1ccc(-c2csc(-c3ccccc3C(F)(F)F)n2)cc1)S(C)(=O)=O 587923545 VYDCGMSVLOKYMF-UHFFFAOYSA-N 412.458 4.892 0 1 HJAF Nc1ccc(-c2ccc3ncc4nc(O)n(-c5ccc(C(F)(F)F)cc5)c4c3c2)cn1 653850056 HBYDLWFTICAGGX-UHFFFAOYSA-N 421.382 4.942 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(F)cc1F)N(C)[C@@H](C)C2 962569017 MAHLIQZINFNPJK-OVWNDWIMSA-N 412.274 4.710 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccncc1)(c1ccc(Cl)cc1)N(C)[C@H](C)C2 962571599 IPNXTQDTPFIZEB-VOIUYBSRSA-N 408.929 4.921 0 1 HJAF COC(=O)[C@]1(c2c[nH]c3cc(F)ccc23)NCCc2cccc(-c3ccccc3)c21 962661466 CNPPZRDLTOWSJW-RUZDIDTESA-N 400.453 4.536 0 1 HJAF CC(C)(C)[C@@]1(CC2(O)CCCCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675899 XCSGEWCITVSMKL-CLJLJLNGSA-N 424.585 4.660 0 1 HJAF CC(C)(C)[C@]1(c2ccc(CN)s2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693252 BHTOLPSKUVMMHH-IVZQSRNASA-N 404.620 4.999 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCC[C@H](c3ccccn3)C2)N1 963191328 OYQDGNGVVZNNSO-FOPRYUNUSA-N 424.850 4.906 0 1 HJAF COc1ccc2c(c1O)OC(c1ccccc1)=C[C@@]21NCCc2cc(Cl)ccc21 963379298 HDHXMEZIHDXBBV-DEOSSOPVSA-N 405.881 4.877 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cc(F)cc(F)c1)c1ccc(C)cn1 963609413 NGYDLDROPRCAEZ-MYYSRTQBSA-N 410.464 4.512 0 1 HJAF Cc1nc2ccc(C(=O)NC(C)(C)C)cc2n2c(-c3cc(F)ccc3Cl)nnc12 1857629642 VCLJPPLAZAHOEX-UHFFFAOYSA-N 411.868 4.574 0 1 HJAF CNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C(C)C)n4)sc3c2)ccn1 1857760961 OFCQOJNWCUVGKM-UHFFFAOYSA-N 408.483 4.930 0 1 HJAF Fc1cccnc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1 1857769040 YMECVQODKXMJDZ-UHFFFAOYSA-N 422.891 4.688 0 1 HJAF S=C1NC[C@H](Cc2ccccc2)N1CC1CCN(CCCCc2ccccc2)CC1 61936193 FDUYNNQAXBGUDS-VWLOTQADSA-N 421.654 4.523 0 3 HJAF CC(C)ONC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 3820741 YHZYSLADZFBEHJ-ACCUITESSA-N 413.481 4.942 0 1 HJAF COc1ccc(CNc2nc(-c3ccc(N(C)C)cc3)nc3ccccc23)c(OC)c1 4258396 NJIDTGVEZXZNFH-UHFFFAOYSA-N 414.509 4.992 0 1 HJAF aggregator Cc1oc(-c2cccc(C(F)(F)F)c2)nc1COc1cccc(CN(O)C(N)=O)c1 13604032 NFLPOGINEXXUOV-UHFFFAOYSA-N 421.375 4.518 0 1 HJAF COc1ccc(OCC[C@H]2C(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 28263739 GTAGLFGLZCSHIJ-DNQXCXABSA-N 403.478 4.877 0 1 HJAF c1ccc(CNc2ccccc2-c2cnc(Nc3ccc4c(c3)OCCO4)o2)nc1 28570827 MJQIGYITZDMOHL-UHFFFAOYSA-N 400.438 4.864 0 1 HJAF COc1ccc(CNc2nc(N3CCC(C)CC3)nc3cc(OC)c(OC)cc23)cc1 82136480 VOPKYQGMNBVXQC-UHFFFAOYSA-N 422.529 4.504 0 1 HJAF CN(Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1 82151185 YHTVARXHWXCZHD-PKTZIBPZSA-N 410.562 4.631 0 1 HJAF CCCCO[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 95597712 OGQQOHBJARMYPP-IEBWSBKVSA-N 419.953 4.552 0 1 HJAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2cc3cc[nH]c3cc2C1 96923975 OSLJBLWZZFAUQZ-SANMLTNESA-N 416.613 4.559 0 1 HJAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1 100107934 HIDZBFHINMVIAQ-BKFWDETESA-N 401.485 4.773 0 1 HJAF Cc1nc(C(C)(C)C)sc1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 103179328 DPTHXCSJJKRPBF-UHFFFAOYSA-N 400.398 4.507 0 1 HJAF Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cccc(N4CCOCC4)c3)cc2)ccn1 103273544 KLHVHKHEBMARRF-IBGZPJMESA-N 401.510 4.636 0 1 HJAF Cn1cc(C(=O)NCc2cccc(Cl)c2)c(Oc2cccc(C(F)(F)F)c2)n1 103294674 HFNQRJCFYKPZNQ-UHFFFAOYSA-N 409.795 4.815 0 1 HJAF CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1F)C2 118573612 LZQZWICQEVXVRW-UHFFFAOYSA-N 423.440 4.564 0 1 HJAF O=C(O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)cn1 143184983 RJLRXYFRSLFOCO-UHFFFAOYSA-N 420.318 4.982 0 1 HJAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)nc1)N1Cc2ccccc2C1 167269653 RPLHYNYXAJQJES-UHFFFAOYSA-N 424.504 4.559 0 1 HJAF CCc1nn(Cc2ccc(OCc3cccc(Cl)c3)cc2)c(CC)c1CC(=O)O 168950951 VTZZINQWKKBWCA-UHFFFAOYSA-N 412.917 4.916 0 1 HJAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)nc1 218559573 NAMOSABSMZSFPB-UHFFFAOYSA-N 408.502 4.530 0 1 HJAF C[C@H]1C=CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccccc1 254119976 NRHNQHSEKZNYCZ-SSVHHLKVSA-N 402.538 4.880 0 1 HJAF CCc1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH]c2ccc(Cl)cc12 299854612 ADJAEKRETOSJPM-UHFFFAOYSA-N 402.325 5.000 0 1 HJAF O=C(/C=C/c1ccc(F)cc1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO 299868630 RYLSHOGWQCIYOC-JZCNTLAZSA-N 417.480 4.500 0 1 HJAF CS(=O)(=O)c1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586925657 IKODDYUXTJULDF-UHFFFAOYSA-N 405.504 4.910 0 1 HJAF Fc1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006555 GSUXFDVFOHIKOW-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]1c1ccccc1Cl 587061495 MLBKSZDNUGAMJT-BMIGLBTASA-N 409.704 4.995 0 1 HJAF CC1=C(c2ccc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3c2)NNC(=O)C1 587083311 NLIYKCSZJULSIO-UHFFFAOYSA-N 424.291 4.840 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OC)c(F)cc4[nH]3)cc2)cc1F 587147426 MJVSSENYELOIAY-UHFFFAOYSA-N 421.447 4.857 0 1 HJAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 587165718 KDTYZIQCYOXZKI-UHFFFAOYSA-N 423.455 4.916 0 1 HJAF COc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1OC 587182266 GOFCTBSNCXFXDR-UHFFFAOYSA-N 414.630 4.505 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCn1ccnc1)(c1ccc(OC)cc1)CC2=O 587469877 HXMJWDAWJRVTIF-DEOSSOPVSA-N 406.482 4.501 0 1 HJAF COc1c(Cl)ncc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551849 KOIUMDUWJVSFQP-CRAIPNDOSA-N 418.232 4.806 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2F)nc1 587567673 IRXYEKIYBZIJOS-NFBKMPQASA-N 414.392 4.691 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3cccc(F)c3)CC2)N1 587728975 GFSCIALOUUVCDS-ZJDGCUJOSA-N 422.313 4.919 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCOCC2)N1 587836165 SEWGSYNJNNQREN-LHSJRXKWSA-N 404.323 4.793 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Cl)cc2)no1 587869010 XGMSFMYYBYXHIH-UHFFFAOYSA-N 421.766 4.665 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1ccc(OC(C)C)cc1)(c1ncco1)N(C)[C@H](C)C2 962618749 CCUFIFQELOWNFL-NSYGIPOTSA-N 422.525 4.647 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2356557553 SMCQXKQWSCYFRG-AXNLUTRKSA-N 416.558 4.628 0 1 HJAF CC(=O)OC(C)(C)[C@H]1CC[C@@]2(C)C=C[C@@H](C)CC=C[C@@](C)(OC(C)=O)C[C@H](O)[C@H]12 2356692825 MAUKAMKPRJZLAR-UGYDACLGSA-N 406.563 4.586 0 1 HJAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4153835 QGVNAVAZXQTHNI-VSUDMRMVSA-N 422.456 4.787 0 1 HJAF C[C@H](Nc1nccc(-c2c(-c3ccccc3)nc3nc(N)ccn23)n1)c1ccccc1 12365514 KFEQXUZWOONGQK-INIZCTEOSA-N 407.481 4.609 0 1 HJAF CCNC(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 13744251 YWTKOYWBOSNAGR-HXUWFJFHSA-N 410.514 4.688 0 1 HJAF O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCC(c2ccccc2)CC1 13823463 IMZYYYXDGIFJFD-UHFFFAOYSA-N 406.551 4.618 0 1 HJAF C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28105122 PIORQFHAMSBSER-LRJCRHCPSA-N 418.331 4.538 0 1 HJAF COc1ccc2nccc(C[C@@H](C)NC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040747 FNTUCRWCHOTXSC-CYBMUJFWSA-N 404.388 4.503 0 1 HJAF O[C@H]1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc21 64559274 MUPLYZRZMPPYMK-SANMLTNESA-N 403.522 4.626 0 1 HJAF NC(=S)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2ccccc2c1 95580809 HADVGAWGEIOCTD-IBGZPJMESA-N 410.340 4.997 0 1 HJAF OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95874541 CPGJSWPJIQFYIV-RJGXRXQPSA-N 418.503 4.531 0 1 HJAF Cc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633076 DGOIEPCGZNYRHM-KSSFIOAISA-N 422.575 4.883 0 1 HJAF Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1 142660915 OYSGHQLSJZFEDB-UHFFFAOYSA-N 414.412 4.880 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)c(F)c3)cnc3cc(F)ccc23)CC1 144109403 PKYFNENVRZNHJM-UHFFFAOYSA-N 420.456 4.721 0 1 HJAF CCCCCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586969194 HOMXYYMXTTVSRF-UHFFFAOYSA-N 422.348 4.820 0 1 HJAF CCn1ncc(Br)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586984967 QUXCDHPAJCCFQZ-UHFFFAOYSA-N 420.266 4.798 0 1 HJAF CC(C)Oc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 586999914 FUQZATODXUPZJP-INIZCTEOSA-N 413.319 4.836 0 1 HJAF Oc1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029280 MUYKRENZEMHJIK-UHFFFAOYSA-N 402.273 4.734 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(F)cc3[nH]2)c1 587050290 XQUJFOMBDCWMJX-HJWRWDBZSA-N 400.841 4.746 0 1 HJAF COc1cnc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1Cl 587064127 BFRIFOVMCWQWJT-UHFFFAOYSA-N 417.488 4.812 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 587122592 VBFDLYKBDQOELX-UHFFFAOYSA-N 405.307 4.822 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O 587449346 ACPYHFCBAZVMBP-PJTAIMHYSA-N 421.518 4.748 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(C)Cc1ccccc1Cl)CC2=O 587459812 DQZDBQIISJTYJY-HSZRJFAPSA-N 415.917 4.771 0 1 HJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC(C)=O 587498850 PWEDHRHJLYXYNY-IBGZPJMESA-N 400.858 4.859 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCCCO2 587551501 GBKRGDXRHYATFJ-DENIHFKCSA-N 424.836 4.910 0 1 HJAF CC(C)COc1cccc(OCc2nc3ccc(I)cc3[nH]2)c1 587566049 RLRILEPARZQKCB-UHFFFAOYSA-N 422.266 4.781 0 1 HJAF C[C@H](Oc1cccc(Cl)c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656708 JQKQAVYGLUTYID-AWEZNQCLSA-N 422.843 4.964 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccn2)N1 587676014 BJDRYFDOVUDHJH-JDNHERCYSA-N 414.116 4.543 0 1 HJAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756465 LFWQHDSRLKBSFX-XUSGNXJCSA-N 417.322 4.973 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2-c2ccccc2)N1 587761749 VOBAIVKHSQREFW-XCLFUZPHSA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccn3)n2)N1 587852136 KMASFGAOGXTQGQ-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF Cc1nc(COc2ccc([C@@H]3c4ccsc4CCN3Cc3cccn3C)cc2)no1 962371775 HROMEDQJQQMCMJ-HSZRJFAPSA-N 420.538 4.505 0 1 HJAF Cc1sc2c(c1C)CCN[C@@]2(C(=O)O)c1c(-c2ccc(F)cc2)cc2ccccn12 963012844 RDOZNJYTVNTHDY-DEOSSOPVSA-N 420.509 4.898 0 1 HJAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-n3cc(-c4ccncc4)nn3)cc2)n1 1857633394 GODJGDCLLRAXHQ-UHFFFAOYSA-N 424.308 4.553 0 1 HJAF N=c1oc2c(O)cccc2cc1C(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F 1911578340 QBPPPLJPWNSZAN-UHFFFAOYSA-N 416.277 4.908 0 1 HJAF CCC1=C(C[C@@H]2NCCc3ccccc32)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C1 1721517 HDIJLRXRAJUXQB-LOSJGSFVSA-N 418.581 4.990 0 3 HJAF in-vivo CCCN1CCC(NCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 12715161 OFCFGAZWKLJWMU-UHFFFAOYSA-N 404.558 4.843 0 3 HJAF CSc1ccc(Cn2c(C)c(C(=O)NCc3cccc(Cl)c3)sc2=O)cc1 61905790 YXSKIFGBWRHTFF-UHFFFAOYSA-N 418.971 4.572 0 3 HJAF O[C@@H](CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccccc12 594937 XRAUKXHGDLZTOE-QFIPXVFZSA-N 403.551 4.695 0 1 HJAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)c3ccccc3)nc21 26473242 QXIBEQIHZOISKR-SFHVURJKSA-N 422.920 4.950 0 1 HJAF COc1cc2c(cc1NC(=O)c1cc3cc(Cl)ccc3[nH]1)CCC(F)(F)[C@@H]2O 40380637 JBEKDYQXRBVQLD-GOSISDBHSA-N 406.816 4.697 0 1 HJAF COC(=O)CC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 43202413 IJQXEOBXNKFUOJ-QFIPXVFZSA-N 400.906 4.859 0 1 HJAF Cc1ccc(CN2CCN(Cc3cccc(NC(=O)c4cccs4)c3)CC2)cc1C 45302697 ZCQYYKVBMJJRPC-UHFFFAOYSA-N 419.594 4.935 0 1 HJAF COc1cccc2c(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cn(CC3CCCCC3)c12 64560559 GZKSAQUUENNDEG-ICSRJNTNSA-N 409.574 4.539 0 1 HJAF Clc1cccc2c(-c3nsc(CN4CCCC4)n3)cn(CC3CCOCC3)c12 66111657 QBHAJJXATBVYEO-UHFFFAOYSA-N 416.978 4.836 0 1 HJAF Fc1ccccc1CCNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H]1CCCO1 82180768 AWGNKVXFKPDADQ-KRWDZBQOSA-N 423.517 4.528 0 1 HJAF c1ccc(COc2ccc(CN3CCC4(CC3)OCCc3sccc34)cc2)nc1 84690013 UPIUQGQYQVGATL-UHFFFAOYSA-N 406.551 4.786 0 1 HJAF CCOC(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-2 95555181 ZYWOFZJHOOYXHB-UHFFFAOYSA-N 400.265 4.707 0 1 HJAF CC(C)(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95571784 UAUVXYFYOWXQKG-NRFANRHFSA-N 412.961 4.891 0 1 HJAF O=C(c1ccc(OCc2ccccc2)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1ccccc1 96921749 MABVSRPEZLZPNL-UHFFFAOYSA-N 421.456 4.728 0 1 HJAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 104026518 LJEXSXALUYYERA-AGGMBTAESA-N 404.470 4.667 0 1 HJAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(Br)cc4)c3C2)nc1 114997485 YVOGFFAHHJCXSZ-HNNXBMFYSA-N 424.346 4.678 0 1 HJAF CCC(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)CC/C(C)=C\C[C@H](O)/C(C)=C/c1csc(C)n1 135783636 MAZMBUSHGWINCC-VHMJOBEZSA-N 421.603 4.514 0 1 HJAF CC(C)(C)NC(=O)[C@H]1c2ccc(O)cc2C(=O)N1Cc1ccccc1-c1ccccc1 143318367 YJBHWEFKIXILMC-HSZRJFAPSA-N 414.505 4.671 0 1 HJAF CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@](C)(CO)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 255205084 CZXKGNGEDOGNHC-PJWLYJFTSA-N 402.667 4.594 0 1 HJAF COC[C@H]1C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 261183755 WTVRBZGFYWIYQU-MAEOIBBWSA-N 400.482 4.911 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 586917259 RUMNOYRYDDCAPF-CWTRNNRKSA-N 403.251 4.681 0 1 HJAF Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1C 586954247 FWRNWLKHZGISEW-UHFFFAOYSA-N 419.550 4.901 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 586988839 XMBZIFQRMNRXBZ-GJZGRUSLSA-N 414.461 4.583 0 1 HJAF FC(F)(F)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587001173 CUPCXNLJVAEASF-UHFFFAOYSA-N 409.209 4.937 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587192639 YCVHPLREOUDALN-QGZVFWFLSA-N 417.412 4.841 0 1 HJAF CCCc1c(O)ccc2c1O[C@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)CC2=O 587465756 HHZKLYIBPIFWHK-JOCHJYFZSA-N 414.864 4.964 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(N2CCCC2)c1 587553945 BZEKCSRIGJKGFJ-QPPBQGQZSA-N 405.425 4.834 0 1 HJAF C/C(=C\[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587569094 FBRCJBQWPKUKKZ-CSTMXSPISA-N 401.462 4.715 0 1 HJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccnc1 587575208 DPCIAZNJMSUFEP-RCZVLFRGSA-N 412.445 4.898 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N)N1 587681229 RIRVFJJWRCUELN-PWJLMRLQSA-N 414.116 4.557 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2N)(C(F)(F)F)N1 587705373 MEFMBRHETPFXBQ-ABKXIKBNSA-N 403.217 4.511 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3)n2C)N1 587752130 BVILDBTWGYLMDU-HXPMCKFVSA-N 400.295 4.612 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c1 587781369 UHMLUGYTBNZCNH-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF C/C(=C/[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587845388 DYBMRYLBRUMJFE-WHCZVESDSA-N 409.368 4.893 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(O)sc3c2)N1 587858028 OBUPIFPBYSXQBD-LZVRBXCZSA-N 407.308 4.701 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(F)cc(Br)c1 587870711 QAIYWFQZMTZAMA-UHFFFAOYSA-N 407.214 4.678 0 1 HJAF COc1ccc(-n2cc(O)c(-c3nc(-c4ccc(OC)c(OC)c4)cs3)c2N)cc1 958043822 FYHNOMCVKBTOAV-UHFFFAOYSA-N 423.494 4.581 0 1 HJAF Fc1ccc([C@]2(c3ncco3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1F 962715003 SGXSSNJXASAXFG-IVZQSRNASA-N 416.468 4.747 0 1 HJAF CC(=O)c1ccc(NC2=C(Cl)[C@]3(C[C@@H](C)C2)NCCc2nc4ccccn4c23)cc1 962981031 CRLDUUAUPQBHPQ-OWJWWREXSA-N 420.944 4.870 0 1 HJAF Cc1sc2c(c1C)CCN[C@]21CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 963015268 WSEGWVCXWCLOPO-KDOFPFPSSA-N 404.498 4.668 0 1 HJAF COc1ccc([C@@]2(CC(=O)C(F)(F)F)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963095637 DEINYCIMFZBARZ-KKSFZXQISA-N 407.407 4.620 0 1 HJAF COc1cc(Cl)c([C@@]2(C)c3cccc(Br)c3CCN2C)cc1OC 963282884 ZLXYXVXPOCTHIA-LJQANCHMSA-N 410.739 4.871 0 1 HJAF CC(=O)c1ccc(NC(=S)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 1196540761 JTDZOYZZDOBGFA-UHFFFAOYSA-N 424.957 4.610 0 1 HJAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@]12C 2356434579 WWVYCXGWNHHXOT-SHYGIIKLSA-N 408.579 4.667 0 1 HJAF C[C@@H]1CC[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)NC1 2356517123 XWTNAYWYYCWVTF-PACOJJKPSA-N 415.662 4.921 0 1 HJAF O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ccc(Cl)cc1 1659502 OGOHZZBNMZQPRK-NRFANRHFSA-N 413.882 4.593 0 1 HJAF C[C@@H]1Oc2c(c(O)c3c(c2[C@@H](CC(=O)O)c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C 13385474 CEJSYHIZUAMEQV-ZQIUZPCESA-N 422.477 4.783 0 1 HJAF biogenic COc1ccccc1NC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 26950903 FFFBLUYUGVALAT-CGLVHTDRSA-N 422.569 4.547 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 73221032 LNURWTKYEXJMRU-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 95560479 QPKUVYGEEAPCQE-OAQYLSRUSA-N 402.425 4.588 0 1 HJAF O=C(Nc1nc(-c2ccccc2)c(-c2nc(O)c3ccccc3n2)s1)c1ccco1 96927341 WFYZHPLUVYGAJP-UHFFFAOYSA-N 414.446 4.971 0 1 HJAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CCC2)cc1 142265770 BSTOTXPVADCIBT-UHFFFAOYSA-N 405.523 4.666 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(OCC(F)(F)F)c1 167069514 ATPYATWACZYQRA-WMLDXEAASA-N 423.431 4.755 0 1 HJAF O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1 195090197 VTWUFVAKJVRFNV-NVGCLXPQSA-N 402.368 4.527 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587033347 GUTDZDJJMWKSIK-AWEZNQCLSA-N 411.458 4.886 0 1 HJAF N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F 587143066 UTGIILPSUMIDEO-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF CCCc1nc(-c2nc3c(Br)cc(F)cc3[nH]2)nn1-c1ccccc1F 587155924 IUGQJBUNBHGNJF-UHFFFAOYSA-N 418.245 4.804 0 1 HJAF C[C@]1(c2cnc3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350578 XCFUBZKXVLHXKJ-ISKFKSNPSA-N 400.409 4.749 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3cc(C(=O)O)ccc3F)cc1)O2 587380715 BXLKXVVORMUEQW-XMMPIXPASA-N 405.425 4.962 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1c(N)sc3c1CCC3)O2 587385637 UNTPBHWWZLOHIY-HSZRJFAPSA-N 408.498 4.758 0 1 HJAF CCn1ccnc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577707 OMFVADNESSNUAD-OFVILXPXSA-N 412.445 4.514 0 1 HJAF COCCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649281 GNUJHDCJCQTTTH-UHFFFAOYSA-N 411.445 4.836 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1 587726114 UQMHUHMYFQXTIG-FKIZINRSSA-N 418.285 4.711 0 1 HJAF Cc1cccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587770760 UEHCHCXHNLWDGH-OAHLLOKOSA-N 403.339 4.927 0 1 HJAF CCOc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1C 587778002 GTPDSKQFXRGWSY-UHFFFAOYSA-N 413.646 4.590 0 1 HJAF CSc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587846723 RAQVVULVILUIBK-GIGQVBGESA-N 424.335 4.705 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587852710 NDGSULPAXWXVJR-GTNSWQLSSA-N 424.383 4.967 0 1 HJAF Cc1cc2c(cc1F)[C@@](CC(=O)C(F)(F)F)(c1cccc(OC(F)F)c1)NCC2 962148137 RDYFVIUTRVGEIF-LJQANCHMSA-N 417.349 4.646 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(Br)c1F)N(C)[C@@H](C)C2 962620868 AILSWYRQGGQKPK-YPMLDQLKSA-N 412.274 4.710 0 1 HJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(I)c(F)c1 963109458 UTGRGQANBZBPHD-KDOFPFPSSA-N 411.233 4.679 0 1 HJAF COc1ccc(CO)cc1-c1cc(Cl)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772649114 LIAXUEDJGRBKIN-SFHVURJKSA-N 417.914 4.879 0 1 HJAF NC(=S)c1cccc(-c2cn(C[C@H]3C[C@H](F)[C@H](F)C3)c3cc(CO)ccc23)c1 1857615957 OIQDYYRJSCOVRQ-NJZPDEBBSA-N 400.494 4.521 0 1 HJAF CC1=C(CCC(=CC[C@H](O)C2=CC(=O)OC2)CO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 2356543410 QNKXTVCLBCSBNT-SGIRGMQISA-N 402.575 4.862 0 1 HJAF CCOC(=O)c1c(-c2cccc(Cl)c2)c(C(=O)OC)c(C)c2sc(C=O)nc12 1661601 TVPJSUWIAMGVRU-UHFFFAOYSA-N 417.870 4.701 0 1 HJAF Cc1sc2ncnc(NC3CCCCCC3)c2c1S(=O)(=O)N1CCC(C)CC1 4799587 BTGLHOBQRZINQT-UHFFFAOYSA-N 422.620 4.555 0 1 HJAF COC(=O)[C@@H](c1ccc2ccccc2c1)N1C(=O)S/C(=C\c2ccc(C)o2)C1=O 13479502 LTQWJMDDESGASA-XLXASQRYSA-N 407.447 4.692 0 1 HJAF O=C1c2cccc3cccc(c23)N1CCCCCN1CCN(C2CCCCC2)CC1 22930396 YQOAHZKPQSFAKZ-UHFFFAOYSA-N 405.586 4.921 0 1 HJAF CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cc1 40892723 DNLUXEPSRJHLRC-UHFFFAOYSA-N 405.542 4.918 0 1 HJAF Cc1c(C(=O)NC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 45302905 OZRGAUZGCNDUKW-UHFFFAOYSA-N 403.313 4.951 0 1 HJAF CN1CCC[C@@H](n2cc(S(=O)(=O)c3cccc4ccccc34)c3ccccc32)C1 49089789 CDXBGFFPULMAJJ-LJQANCHMSA-N 404.535 4.894 0 1 HJAF c1ccc2c(c1)OC[C@@H](c1nc3ccc(-c4ccncc4)cc3n1C1CCOCC1)O2 49090023 OXPWRBSZPVHCNE-DEOSSOPVSA-N 413.477 4.962 0 1 HJAF Cn1c(CN2[C@H]3CC[C@@H]2CC(c2ccc(C(F)(F)F)cc2)C3)nc2ncccc21 71319409 IZHSVHBZIDFPRT-ZNXRZULTSA-N 400.448 4.898 0 1 HJAF CCCCCCOc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)O)cc3)co2)cc1 82069723 GMZMCLOOUNTFNO-UHFFFAOYSA-N 422.481 4.929 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2C[C@H]1CCCO1 82180260 OAAMUIQOQODWKC-GOSISDBHSA-N 405.527 4.654 0 1 HJAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2cccc(OC)c2)cn1 84605211 WYUXRQNERZWVHL-OTEZPCOJSA-N 421.537 4.745 0 1 HJAF CCCCc1nc2cnn(Cc3ccc(-c4ccccc4C(=O)OC)cc3)cc-2n1 101159180 NFPMGTXCCRAONW-UHFFFAOYSA-N 400.482 4.622 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(F)cc1 101349505 XBEXHWPCLKUYDD-HUFZAQBQSA-N 400.490 4.761 0 1 HJAF C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C 105178379 CWEFIDFCCGQNNT-SSOMFZRPSA-N 422.548 4.905 0 1 HJAF C[C@@]1(c2cc(Cl)cc(NC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 141459572 ZVUVZWBZCHXFFC-IBGZPJMESA-N 416.959 4.869 0 1 HJAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccc(Cl)cc1 205450612 HBIGDDGUEYQJPN-LLVKDONJSA-N 410.840 4.695 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@@]21C 238744098 JXAWKPXWXJLUMA-ITAIEHGUSA-N 416.558 4.795 0 1 HJAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586996669 IYFIKTVBXKAGSB-HXUWFJFHSA-N 409.283 4.986 0 1 HJAF Cc1c(Br)cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1C 586998128 XNXPYXFSJXPQDP-CQSZACIVSA-N 423.152 4.947 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Cl)ccnc3[nH]1)N2 587030561 FRGWDLIHDLQQHC-VKRGWIQLSA-N 405.936 4.738 0 1 HJAF Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br 587119480 DBVIFIFKEIMMBJ-UHFFFAOYSA-N 413.241 4.776 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(O)cc3[nH]2)c1C 587166249 VYWWUAPGQCBHND-UHFFFAOYSA-N 407.445 4.604 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587190515 KWXFEPPAMRUFQL-HXUWFJFHSA-N 409.486 4.681 0 1 HJAF Cc1cnc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 587193469 AZTZICAWFKEJMA-UHFFFAOYSA-N 412.493 4.690 0 1 HJAF CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587383215 ZEDWGEJZKQLHKH-QRQCRPRQSA-N 419.880 4.516 0 1 HJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1O 587500679 UNQXOXWAYSFPNE-SFHVURJKSA-N 403.272 4.749 0 1 HJAF Nc1ccc2c(c1)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582319 ZPFRXVSZNFNNFL-ZEQKJWHPSA-N 423.424 4.986 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2cccs2)CC1 587610499 GHANZUPCSBGLGN-XUZZJYLKSA-N 421.518 4.696 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587745993 YBQWNRHUUCECJL-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF CC(C)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587773331 QLVRLXPJDABWTL-CWTRNNRKSA-N 402.311 4.983 0 1 HJAF COc1ccc2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587801730 HWNZTWZGAVOQPO-YBTHPKLGSA-N 403.295 4.876 0 1 HJAF CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1OC 587802253 QRYBELLXGLSXOA-FKIZINRSSA-N 408.311 4.928 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)S1 587857952 WJFBVQJFKGCSFL-JDNHERCYSA-N 423.355 4.652 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1C 587867643 LWFATZXQYRWMMT-CQSZACIVSA-N 419.403 4.697 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1c(F)cc(C(F)(F)F)cc1F 961319495 ISGRUNZFPMFEKS-FQEVSTJZSA-N 415.402 4.976 0 1 HJAF CC(C)N1C(=O)[C@H]([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)C(=O)c2ccccc21 962667737 VFYUHEQMTHWPMF-NAKRPHOHSA-N 424.544 4.969 0 1 HJAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCN3CCCC3)c1CC2 1772582218 WDQYKKQHIIXJJX-UHFFFAOYSA-N 403.526 4.525 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@@]2C[C@@H]2C)cc1Cl 1857612575 DRKZJUOFSWGWDD-ZSEKCTLFSA-N 406.375 4.624 0 1 HJAF COC(=O)/C=C/c1cccc([C@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c1 13814434 OBYZYNRVFLSQLZ-HLXKOHTISA-N 401.506 4.785 0 3 HJAF Cc1ccc2c(c1)C(=O)N1[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 61959413 ODRREPMETVOWCG-MBPYSEENSA-N 424.500 4.695 0 3 HJAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cccc2ccccc12 2480953 JPVYTYWOALWMBB-UHFFFAOYSA-N 402.450 4.547 0 1 HJAF COc1ccc(N[C@H](C[S@@](=O)c2ccc(C)cc2)C(F)(F)C(F)(F)F)cc1 5582863 BPPDYHUPUMBTGN-JWIGPWBQSA-N 407.404 4.790 0 1 HJAF CC[C@H]1CC2(C[C@@H](CC)N1)C(=O)N(CCCc1ccccc1)C(=O)N2c1ccccc1 28971304 GSYOURVKZLLEOD-KMXBQNHCSA-N 419.569 4.767 0 1 HJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1 29409173 YOFPIUPACOQONI-HZPDHXFCSA-N 413.272 4.711 0 1 HJAF O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2OCc2cccc(F)c2)O1 29411556 LESQYFONTGYRRR-CVEARBPZSA-N 413.272 4.711 0 1 HJAF CC(C)=CCc1cc([C@@H]2Oc3cc(CC=C(C)C)c(O)cc3C(=O)[C@@H]2O)ccc1O 33831735 YJRGJZBUUOQBFV-DQEYMECFSA-N 408.494 4.793 0 1 HJAF biogenic COc1cc(OC)cc(C(=O)N(C)C2CCN(Cc3ccc4ccccc4c3)CC2)c1 36351777 UHVZJGLCSPWXGM-UHFFFAOYSA-N 418.537 4.594 0 1 HJAF O=C(Cn1cc(-c2ccccc2)nn1)c1ccc(-c2cc3ccccc3oc2=O)cc1 66251438 CMSJTLXKQYHNAG-UHFFFAOYSA-N 407.429 4.601 0 1 HJAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)c(OC)c1 103532251 JHMXABOPFOWANN-IBGZPJMESA-N 414.531 4.715 0 1 HJAF CCN(CC)[C@@H](CO)C[C@@H](O)c1cc(-c2cccs2)nc2ccc(Cl)cc12 169335280 LBDKKUOQSWHHME-FOIQADDNSA-N 404.963 4.743 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCCc5ccccc54)ncc23)ccn1 261095463 FHSJLAXORMHVCU-HXUWFJFHSA-N 412.497 4.918 0 1 HJAF O=c1nc(O)ccn1CCOc1ccccc1Oc1cccc2cc(Cl)ccc12 299837280 PTVJUUWNFTZRLG-UHFFFAOYSA-N 408.841 4.627 0 1 HJAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CCC2)cc1 299838659 VTGMGDYLAKWHJZ-UHFFFAOYSA-N 414.845 4.820 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299875564 DDDZTNYHZSHMGG-KZKAQZJJSA-N 416.562 4.519 0 1 HJAF C[C@H]1Cn2c(nnc2-c2ccccc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 473106901 ZBWWENBLBXGTGG-LBPRGKRZSA-N 420.822 4.662 0 1 HJAF Cc1nc(COc2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cs1 587020180 FXYSZRMSUVPIFM-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF Fc1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076205 LKTKOOMITCCGFF-UHFFFAOYSA-N 421.657 4.953 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc(F)c2[nH]1 587079176 HEDIIDJBKZKSSS-ZDUSSCGKSA-N 407.674 4.842 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085494 WOPXLEVOHXSYHS-UHFFFAOYSA-N 402.635 4.892 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)cc1Cl 587541543 FLYVWVBIEGJKJA-REWPJTCUSA-N 418.836 4.934 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591135 USUPULKRVFBEFK-NTKDMRAZSA-N 421.449 4.556 0 1 HJAF C[C@@]1(c2cc(CN3CCCC3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611156 FSHCQMQCJBAOID-URXFXBBRSA-N 421.518 4.927 0 1 HJAF Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(C)c1 587651858 GDRCRLUUQSZMFZ-UHFFFAOYSA-N 418.880 4.934 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)n(C)n2)N1 587765857 UQLIQPJASVTFFL-FKIZINRSSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(CC3CCCCC3)n2)N1 587766439 WBFUGKVNCVXLCM-ZUOKHONESA-N 406.343 4.989 0 1 HJAF COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587786548 HHMPIARMXINGSP-UHFFFAOYSA-N 413.346 4.745 0 1 HJAF COC(=O)CCCC[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808207 NSQJRNVFZKRZJD-WTOJCKNJSA-N 400.332 4.707 0 1 HJAF COc1cc2c(cc1OC)[C@](c1ccc(Cl)nc1)(c1cccs1)N(C)[C@H](C)C2 962571643 IXUMEZQGZDNFSD-JLCFBVMHSA-N 414.958 4.982 0 1 HJAF CCCCC[C@@]1(c2ccc(N)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638798 NPRBTEUTCNQWBJ-FPOVZHCZSA-N 422.447 4.590 0 1 HJAF CCOC(=O)[C@]1(CC(=O)c2cc(C)ccc2C)N[C@H](CC)Cc2c1[nH]c1ccccc21 962943270 GIDFAILHQATCEO-WXTAPIANSA-N 418.537 4.740 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cc3ccccc3)s2)N1 962982457 XQIOIXOIDUWZRV-JXFKEZNVSA-N 419.880 4.959 0 1 HJAF CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12c1cccc(Br)c1CCN2C 963290725 XUJNWAFHWPXCLA-QVKFZJNVSA-N 423.395 4.799 0 1 HJAF CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1ccc2ccccc2c1 1772570790 IKBYBIUKXYGCGV-STZFKDTASA-N 404.491 4.679 0 1 HJAF COc1cc(O)c(C(=O)[C@@H]2CC=C(C)[C@@H](/C=C/C(C)(C)O)[C@H]2c2ccccc2)c(O)c1 1772575293 QOBGNLVDRWCESI-CDWUKUCFSA-N 422.521 4.982 0 1 HJAF OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(F)c3)c2)cc1 1857572440 SSIIMVCXNBYHOC-XMMPIXPASA-N 421.512 4.940 0 1 HJAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@@H](O)[C@@]1(C)CCC(=O)O1 2356409101 YRNRZLZDGLUALE-ZJSXRUAMSA-N 416.514 4.543 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@H]1O 2356761075 HJPCXYKWUOGDSW-KGSLCBSSSA-N 414.583 4.572 0 1 HJAF CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 19889906 GJWJRTYCNDXGRC-QFIPXVFZSA-N 402.498 4.595 0 1 HJAF O=C1CCCCC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927482 SFFNAPDJGZFCCK-VWLOTQADSA-N 420.597 4.560 0 1 HJAF CCOC(=O)/C=C/C[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26743064 JMWVRWKCLRLICN-PVBLUSGHSA-N 412.489 4.750 0 1 HJAF O=C(CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1Cl 28647011 SPKBJLIQPBEEMR-UHFFFAOYSA-N 406.357 4.530 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 36153025 WHWOXTLAMAZUQG-CHEXJKNNSA-N 400.607 4.894 0 1 HJAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)co1 82069354 IRUGOXLVACXIKK-FQEVSTJZSA-N 421.541 4.509 0 1 HJAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2C(=O)NCc2ccccc2)c1 82146758 VVQFIXMFSAKGTP-UHFFFAOYSA-N 408.505 4.994 0 1 HJAF O=C(O)c1ccc(Nc2nc(Cl)c(Cl)c(Nc3ccccc3C(=O)O)n2)cc1 87613211 CDGKKEPAUJAQHQ-UHFFFAOYSA-N 419.224 4.667 0 1 HJAF N=C1NC(c2cccc(Cl)c2)(c2cccc(Cl)c2)C(=O)N1C1CCCCC1 103243792 MYEOEKMOZQXVDY-UHFFFAOYSA-N 402.325 4.936 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)[C@@H](N=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713490 HDLLXPNGACHELV-KSNYSVMSSA-N 403.611 4.900 0 1 HJAF CC(C)(CCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1)C(=O)O 204879778 FMZHGKSOZMYBLL-UHFFFAOYSA-N 405.903 4.575 0 1 HJAF 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ONAZOXOWPYXDCZ-YEJXKQKISA-N 420.322 4.937 0 1 HJAF COc1ccc(C[C@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1OC 587927910 ZBCCYSHVDBCECW-VIFPVBQESA-N 410.699 4.737 0 1 HJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1 587932120 NFOWILDLCUNNEI-UHFFFAOYSA-N 400.413 4.936 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@H]1[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 962369283 CGDMVNRGLFIZIC-YFVAEKQCSA-N 415.603 4.879 0 1 HJAF COc1ccc2c(c1)c([C@H]1N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)cn2C(C)C 962761220 HFIHYPLVJYADKE-CTNGQTDRSA-N 416.443 4.966 0 1 HJAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4C34C=CC=CC=C4)nc(Cl)nc21 963918316 YKPPXFPLLMJNSZ-UHFFFAOYSA-N 419.916 4.706 0 1 HJAF O=C1N[C@H](C(Cl)(Cl)Cc2ccccc2)O/C1=C\c1ccc(C(F)(F)F)cc1 1857607990 UCLBTSLOUVRWHW-MJSCBBHESA-N 416.226 4.935 0 1 HJAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](O)C2=O 2356489474 ZLLJYAHSJDPPOJ-RPWUZVMVSA-N 424.493 4.716 0 1 HJAF Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2)no1 61908729 MJWXIUIMHMGYCM-HXUWFJFHSA-N 407.445 4.742 0 3 HJAF 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169727652 ZPUNRBOAUGQHGN-KAYWLYCHSA-N 414.549 4.647 0 1 HJAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](C)[C@H]3O 261139963 MXZOUETYQZMNJY-CRDRPGOISA-N 406.607 4.724 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 586973907 SDNQNEZFYBXELQ-INIZCTEOSA-N 422.323 4.575 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cncc(Br)c2[nH]1 586996051 OEFMCDUKFSWNNQ-UHFFFAOYSA-N 411.097 4.797 0 1 HJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)s1 587014749 PPLVSHWYYOEFID-SECBINFHSA-N 424.320 4.641 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 587201542 RGVMVHODPRWJTP-UHFFFAOYSA-N 409.914 4.584 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4ccccc4c3N)nc2c1 587254489 RENDKHZKGHCJCL-UHFFFAOYSA-N 410.271 4.905 0 1 HJAF COc1ccc2c(c1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347722 PQGDXHAHWHSVER-VWNXMTODSA-N 405.425 4.610 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccccc1 587399308 IXMYOYGAIUMGPW-HSZRJFAPSA-N 419.477 4.750 0 1 HJAF O=C1C[C@@H](c2cc3c(cc2Br)OCO3)Oc2c1ccc1c2CCCC1 587498601 OUESSQKWKOQITO-KRWDZBQOSA-N 401.256 4.763 0 1 HJAF C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597542 ZDFDEBTVCNCAPP-KTLRXADISA-N 422.477 4.648 0 1 HJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccnn2C)c1 587761827 WQSBSOLABRLIKS-ZSEKCTLFSA-N 414.322 4.921 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798189 OCHSUJSTPPWROI-QKKBWIMNSA-N 420.322 4.546 0 1 HJAF CCOC(=O)C[C@]1(CC2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799693 UFQLJYABYMEDDM-XCLFUZPHSA-N 412.343 4.851 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1Oc1ccccc1 587813999 XLNGROIQLPYKCU-NUATZEMDSA-N 420.322 4.574 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829814 CMCVBEOUWJHCND-YBTHPKLGSA-N 406.295 4.633 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1 587837121 ZMHRVHMQMXWHFF-AVHPMIGVSA-N 418.306 4.699 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1ccccc1 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VECHANWNAAODDM-CRYYWNKWSA-N 411.501 4.878 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OC(F)(F)F)c3)n3c2CCO[C@H](C)C3)ccn1 1772578525 VPATYQHRARKFEE-CYBMUJFWSA-N 421.394 4.919 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](C=CC3=CC(=O)O[C@@H]3O)[C@@](C)(O)CC[C@@H]12 2356686382 CNXOWEJEIZUYTD-AVSAEZJJSA-N 402.575 4.754 0 1 HJAF CC(C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@@H](C)[C@H](O)C(C)=CC(C)C 2356734100 QQZJCNSHAVQKIC-WXFUMESZSA-N 401.591 4.644 0 1 HJAF C[C@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1cnc[nH]1)C2=O 2356803447 XCPAXKZWCUDCEI-LMKMVOKYSA-N 423.557 4.654 0 1 HJAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61903760 SKUUTFJZZQPRGI-VWLOTQADSA-N 401.510 4.776 0 3 HJAF C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@](O)(C(Cl)(Cl)Cl)CC[C@]34C)[C@H]1CCC2=O 3850035 PRKJWXBURFOVQU-PSKXYMOYSA-N 421.792 4.879 0 1 HJAF biogenic CCc1c(CC(N)=O)c2cc(SCCCC(=O)O)c(C)cc2n1Cc1ccccc1 13446170 ASGZHEJHJCTMCU-UHFFFAOYSA-N 424.566 4.545 0 1 HJAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(c2ccccc2Cl)CC1)CCC3 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CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCC3)c2)n1 221304606 AHDZACLNNVSKBO-OXJNMPFZSA-N 410.518 4.952 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1[C@@]2(CO2)[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@@]31C2 238745090 KTPSVDHGTNWZOZ-ZYRZPXLGSA-N 416.558 4.741 0 1 HJAF CC(C)COc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586883589 CKBBDWIKEUJRDW-RDBSUJKOSA-N 403.320 4.999 0 1 HJAF O[C@H]1C[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21 586904324 TWQYMSSBEAOMBY-AAEUAGOBSA-N 413.193 4.793 0 1 HJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)c21 587033412 UUQIJIAUFSPRRD-LBPRGKRZSA-N 404.495 4.853 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(F)cc3[nH]2)c1 587050289 XQUJFOMBDCWMJX-CMDGGOBGSA-N 400.841 4.746 0 1 HJAF Cc1cc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145392 VNIIWIPHGIYJHB-HXUWFJFHSA-N 404.401 4.766 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 587166885 CUMILBKZVWJBCW-OAHLLOKOSA-N 421.245 4.973 0 1 HJAF 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CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587794254 GIYVNVRZPYKOEI-LCMPSIMXSA-N 412.343 4.707 0 1 HJAF CCOC(OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797850 XTZVCFXMFBHMDL-SPLOXXLWSA-N 422.338 4.765 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800667 YDZQOPZBZGULCF-RXSFTSLZSA-N 420.322 4.565 0 1 HJAF CCOC(=O)c1ccc(NC(=S)n2nc(-c3cccc(F)c3)cc2OCC)cc1 587872163 IYVQOPXLPBTKFL-UHFFFAOYSA-N 413.474 4.510 0 1 HJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(I)cnc2[nH]1 587952146 ZERMUPXPCFZARV-NSHDSACASA-N 415.234 4.856 0 1 HJAF O=C(CC1CCN(Cc2ccccc2Cl)CC1)NCCc1c[nH]c2ccccc12 653864061 PZQXXBORCKVRAX-UHFFFAOYSA-N 409.961 4.782 0 1 HJAF COc1ccccc1-c1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963220818 FOKGLVCGKMCSEO-UKILVPOCSA-N 410.473 4.599 0 1 HJAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@@]12OC(=O)C(C)=C2O)CCCC1=CCOC1=O 2356398733 AWERMEJPIQQCKA-UZXVFQFNSA-N 412.526 4.952 0 1 HJAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@]3(C)c4cocc4CC[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O 2356441551 WTBDNHCIGRRPJK-DLFLOYDBSA-N 402.531 4.811 0 1 HJAF CCO[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563138 ANSOPDAAFLKBAI-FYYLOGMGSA-N 421.493 4.791 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)OC[C@]4(C)[C@@H]3CC[C@]12C 34801425 LGKOHXBHQYUHPI-PLYZVZFYSA-N 404.595 4.554 0 1 HJAF CC1(C)CC(=O)c2sc(N3CCOC[C@H]3Cc3ccc4ccccc4c3)nc2C1 40917482 VEYMNDZFLDNZST-LJQANCHMSA-N 406.551 4.899 0 1 HJAF Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1 40936852 COHMNFWDMCZZRN-UHFFFAOYSA-N 413.485 4.506 0 1 HJAF CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(OC)cc2)[nH]c1=O 72177793 CZYUFZXHQMXQEW-UHFFFAOYSA-N 421.566 4.586 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H](OC(C)=O)C[C@H]1[C@H](C)C[C@H](C=C(C)C)OC(C)=O 139069406 ZIISMZIZMXGTAW-AADZIFALSA-N 422.562 4.766 0 1 HJAF COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OCC=C(C)C)c(OC)c3)oc2c1 142064271 DVPKCPQNRAOTGH-UHFFFAOYSA-N 412.438 4.536 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1 167574040 JXRMUCFYWOMUCA-YJBOKZPZSA-N 423.538 4.640 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4ncccc4Cl)n3)nc1-2 587017887 SGGVUAHJCNCSRY-UHFFFAOYSA-N 417.203 4.816 0 1 HJAF Cc1ncsc1CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587026313 BVBCQNGUVOBLMT-UHFFFAOYSA-N 406.227 4.774 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587041044 UPOJURVZTVETPJ-HXUWFJFHSA-N 411.527 4.637 0 1 HJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(I)cnc2[nH]1 587067897 TYLJLKDAJONJRN-SECBINFHSA-N 413.646 4.664 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587105021 ZHBORVPTTMQRPS-CQSZACIVSA-N 400.478 4.828 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587113634 QZGIORDTZRMHTE-FQEVSTJZSA-N 404.436 4.674 0 1 HJAF CCN(CC)c1cccc(Br)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377532 NDPNLBAFFPMHEH-SFHVURJKSA-N 403.320 4.892 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1cccnc1)O2 587392620 UFZXLWAKELKREZ-QHCPKHFHSA-N 410.477 4.591 0 1 HJAF COC(=O)c1ccc(COc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398589 FMJPCLGUVOGFOZ-QHCPKHFHSA-N 417.461 4.649 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418827 DBTJRQUQIKHVRT-GUYCJALGSA-N 413.189 4.965 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1OC(F)F)[C@@H](C2)C3=O 587419496 CLFFAWRCQJXDSO-MEDUHNTESA-N 411.198 4.548 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C(Br)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587419697 XUZGIFAGURRDII-DJJJIMSYSA-N 419.658 4.620 0 1 HJAF CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 587523955 IMAZMZCXPCJLQT-SANMLTNESA-N 415.489 4.623 0 1 HJAF Cc1ccc(Cl)c2c1[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553753 VQTBPUGCUCZQEV-CVDCTZTESA-N 408.837 4.994 0 1 HJAF CCCn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587580655 YOEIZERIHDLNOV-OFNKIYASSA-N 400.434 4.855 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)(c1ccccc1)CC2 587608858 NAKNPXXACXCXKH-ANYOXOOPSA-N 402.446 4.554 0 1 HJAF CCOc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587662111 UTBDQQRLKVHOJV-UHFFFAOYSA-N 419.481 4.846 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cnccn3)cc2)N1 587775245 QFDGNIWLYYOBGR-FKIZINRSSA-N 414.278 4.794 0 1 HJAF CCN1C(C)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21 587776293 XAIVKLVNSXDHGC-QKVFXAPYSA-N 416.338 4.692 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)OCC(C)(C)CO3)N1 587839727 UREUEMOAQHFGGS-CYBMUJFWSA-N 412.343 4.661 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 587868448 LMCKLDUQKCCDFU-JKSUJKDBSA-N 401.388 4.725 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Br)cnc(Cl)c4[nH]1)(C3)C2 587949640 JORXBCKEHAVGNN-IMWAJYHESA-N 424.726 4.527 0 1 HJAF Cc1ccc([C@]2(CC(=O)C(C)(C)C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962703397 BLOQZQCJPKJTPY-XXBNENTESA-N 417.471 4.890 0 1 HJAF CC(C)c1ccc([C@@]2(c3ccc(N)cc3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962924506 KLGKJJGEYJVONH-MHZLTWQESA-N 413.565 4.532 0 1 HJAF CCCN(CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1 13438629 RURKEKYFHBYLDY-SANMLTNESA-N 421.629 4.564 0 1 HJAF O=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1 13703789 BRDQVEHZQIWFSM-UHFFFAOYSA-N 405.473 4.884 0 1 HJAF Cc1cc(C(=O)Nc2ccc(C(=N)N(C)C)cc2)n(-c2cc3ccccc3cc2F)n1 28236452 PFBNWRQUGLWZGZ-UHFFFAOYSA-N 415.472 4.612 0 1 HJAF O=C(Nc1c(F)cccc1F)[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708156 ZAXWEHCCAIIFBR-QHCPKHFHSA-N 422.475 4.628 0 1 HJAF O[C@@](CSCC(F)(F)F)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954274 TZKLXLMADUUNPP-JTQLQIEISA-N 413.170 4.915 0 1 HJAF Cc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C\[C@@H]1C[C@@H](O)CC(=O)O1 36761410 UHKYOMOXQPXMQY-HTQPURHSSA-N 403.453 4.943 0 1 HJAF COC(=O)c1ccc2[nH]cc([C@@H](C(=O)c3ccccc3)[C@H]3C(=O)Nc4ccccc43)c2c1 73139202 MBDSAJRWZAEKCT-PKTZIBPZSA-N 424.456 4.657 0 1 HJAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184590 VZTASROAWKJZCN-KRWDZBQOSA-N 419.504 4.570 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc([C@@H](O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 116027138 QXEILDOJDHCHNC-LJQANCHMSA-N 412.276 4.717 0 1 HJAF O=C(O)CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1 118349441 QQEKYJQTJYWXBV-UHFFFAOYSA-N 418.497 4.711 0 1 HJAF O=C(O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1 118596634 CMHUFYBMYCLBNW-HXUWFJFHSA-N 422.506 4.641 0 1 HJAF C[C@@H](CN(C)C)OCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146552722 TYXLKVKHKLXNNY-KRWDZBQOSA-N 410.587 4.541 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ccccn2)c1 167070971 CVXVRZJHVRQGII-UWJYYQICSA-N 402.494 4.876 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2nccs2)c1 167082375 UXOGHIYIIAOJFE-CRAIPNDOSA-N 408.523 4.937 0 1 HJAF C[C@H]1/C=C\CC(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@@H]2CC(=O)N[C@H]1c1ccccc1 169354622 KZQIDWVGSIGTGJ-WZBARMJRSA-N 402.538 4.808 0 1 HJAF CC(=O)c1ccc([C@@H]2C=C[C@@H](Oc3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)cc1 169366120 RHEUMQFNOLHRJN-JIMJEQGWSA-N 400.474 4.992 0 1 HJAF CNC(=O)c1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1Cl 205834299 UWVORGLKJYTVHK-HXUWFJFHSA-N 406.917 4.955 0 1 HJAF CCOc1ccn2cc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)nc2c1 473100472 HUWVMLNFOLCJSM-UHFFFAOYSA-N 419.485 4.751 0 1 HJAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)C 586933438 ROTHGLSEZCRRHX-NRFANRHFSA-N 415.559 4.559 0 1 HJAF O=C1C[C@H](Cc2nc3cnc4ccccc4c3[nH]2)c2c(Br)cccc2O1 587003740 NRBHQVLZWYTSAS-NSHDSACASA-N 408.255 4.509 0 1 HJAF Clc1cccc(COc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)c1 587072603 YZJBWTPHHAQNPY-UHFFFAOYSA-N 415.678 4.966 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2nc(Cl)c[nH]c-2n1 587087354 PGRQVERMOKCPGP-SREVYHEPSA-N 419.703 4.988 0 1 HJAF Cc1ccc2c3c(c4c(nc13)C1(C4)CN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O 587097700 PNOLXNXWJCPAES-UHFFFAOYSA-N 412.489 4.799 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587112420 JRNMAMIUXLMIKS-QGZVFWFLSA-N 417.765 4.913 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC1OCCCO1)(c1ccccc1Cl)O2 587379059 RMWXHYUMBATJPN-QFIPXVFZSA-N 401.890 4.635 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(C)C)C1)O2 587394876 JUYXBKLRDAVNBV-PXDATVDWSA-N 422.525 4.738 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C)c2N 587472698 KYTDPSLCVQRJKR-AREMUKBSSA-N 413.473 4.689 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cccc(OCOC)c1)CC2=O 587491504 UDHVHDHUEIZDPF-VWLOTQADSA-N 419.477 4.631 0 1 HJAF CC(C)(C)OC(=O)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574523 BLQNWIWMAZOLGL-RXVVDRJESA-N 407.422 4.680 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cnccn1 587585484 DISXXOOUSUJSRZ-URXFXBBRSA-N 412.401 4.677 0 1 HJAF C[C@]1(CCc2n[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596275 QIKTZNSOPDOPTR-XUZZJYLKSA-N 400.434 4.622 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC[C@@H]2CCCO2)c1 587615785 HLIJBMJLUIFUFL-KDSXSNECSA-N 418.445 4.653 0 1 HJAF Cc1ccc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c(C)c1 587651936 HJRWKUWHAPWTHP-UHFFFAOYSA-N 418.880 4.934 0 1 HJAF CCOc1ccc(-c2nn(C(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC 587670027 SRERORAHEYHZGP-UHFFFAOYSA-N 410.470 4.644 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723633 YFPIZPSXNCMEKT-NTZVCXBSSA-N 410.155 4.907 0 1 HJAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587799566 RZXNSJKWHTZFGG-YXKFXFPPSA-N 420.322 4.586 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587843915 UXVORCQLOPOPFD-PRWKNARSSA-N 404.279 4.758 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1c(C)cc(C)cc1C 587867641 LWCRBURTQZCLIJ-UHFFFAOYSA-N 419.403 4.617 0 1 HJAF CCn1c(SCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)nnc1-c1ccccc1 587875739 LPOAOPBFSGDGFW-UHFFFAOYSA-N 421.457 4.506 0 1 HJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cc(Br)c4[nH]1)(C3)C2 587951090 WDAOWEBULVLKTN-LWYUSKRHSA-N 403.320 4.787 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@]2(Cc3ccccc3Nc3ccccc32)N1)C(F)(F)F 962720143 ZBJSPUCINAIQEL-GGAORHGYSA-N 408.423 4.876 0 1 HJAF Cc1cc2c(cc1O)[C@](Cc1ccccc1Cl)(c1ccsc1)N[C@H](C(=O)O)C2 963469936 LVICHBKNZNYXJH-UGKGYDQZSA-N 413.926 4.501 0 1 HJAF O[C@H](CNCCc1c[nH]c2cc(F)ccc12)Cn1c2ccccc2c2ccccc21 1772623034 TUEQUUOCWBKVBX-LJQANCHMSA-N 401.485 4.608 0 1 HJAF Cc1[nH]nc2cc(NC(=O)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12 1857606108 BXADHTQOQNYCBR-UHFFFAOYSA-N 410.783 4.511 0 1 HJAF COC(=O)c1ccc2c(c1)C[C@]1(O2)[C@H](C)CC[C@H](OC(=O)c2ccccc2)C1(C)C 2356504641 ZCNGYPFWHGRPSJ-RQYMNKHTSA-N 408.494 4.829 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO 4216584 SIAAAKLDQMCTRK-VXKWHMMOSA-N 402.579 4.959 0 1 HJAF CCOc1ccc(CCNC(=O)c2cc3sc(CC)cc3n2C)cc1OCC 6804740 OUZQPIROSMMWJL-UHFFFAOYSA-N 400.544 4.572 0 1 HJAF Cc1cccc(COc2nn3c(-c4cccs4)nnc3c3c2C2CCC3CC2)n1 13580823 BULOMLIWEVCBPE-UHFFFAOYSA-N 403.511 4.890 0 1 HJAF CCCCC[C@H](OC(C)=O)C(Br)=C(Br)Br 14769668 VTLWFFBCGRBGDR-QMMMGPOBSA-N 406.940 4.852 0 1 HJAF biogenic C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1F 26965287 NMPUFHPNLBRJGC-WWNUHHRHSA-N 410.533 4.678 0 1 HJAF CCCCN(CC)C(=O)c1c(CC)nc2n1CCC(=O)N2c1c(C)cc(C)cc1C 49054621 ANNYOXHYWHWCPU-UHFFFAOYSA-N 410.562 4.701 0 1 HJAF O=C(Nc1ccncc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 95552095 KFUQZYDJAYAMOZ-UHFFFAOYSA-N 422.916 4.877 0 1 HJAF CCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1 95603465 PPGJDUAQKIZKSG-UHFFFAOYSA-N 422.529 4.680 0 1 HJAF CO[C@H]1CC[C@H](OC(=O)[C@@H]2C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@@H]3N(C)C2)CC1 103021197 RJBJIKXTJIZONR-DEHYRCKRSA-N 424.585 4.683 0 1 HJAF C[C@@H]1[C@@H]2[C@@H](O)C[C@@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 139581657 RTCXOPGJLHDJMS-CWYHUBGDSA-N 414.678 4.672 0 1 HJAF O=C(O)c1csc(Cn2nc(-c3ccccc3)c3ccc(C(F)(F)F)cc32)n1 149893140 HKAVNJPOQSRMTB-UHFFFAOYSA-N 403.385 4.925 0 1 HJAF COc1cccc([C@@H](Cc2ccccc2OC)N2CCN(C3CCCCC3)CC2)c1 169317925 LADDHHPSFGIBAB-RUZDIDTESA-N 408.586 4.938 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(OC)c(Cl)cc(Cl)c3OC)nc2c1 587044874 VJYFFDWMFMLGHS-UHFFFAOYSA-N 415.660 4.994 0 1 HJAF Cc1cc(Br)cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587074367 UDWKIFSHTYLZIC-UHFFFAOYSA-N 416.710 4.902 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 587167101 ICULRHYQRUQNCQ-OAHLLOKOSA-N 421.245 4.973 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587191941 PLERTDNFVGQGHD-MRXNPFEDSA-N 406.408 4.933 0 1 HJAF COC(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1OC 587239343 WCACAWPTTTYGHV-UHFFFAOYSA-N 416.481 4.968 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)[nH]c3cccc(Br)c13)O2 587373909 VUQFZXZVDOLOFH-INIZCTEOSA-N 414.303 4.594 0 1 HJAF COc1cccc([C@@]2(c3coc4ccc(O)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1 587412345 NMDPSPGRJFGWFZ-RUZDIDTESA-N 415.445 4.947 0 1 HJAF CCN(CC)c1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414334 UPWUZQAAHQADFF-IIBYNOLFSA-N 416.315 4.793 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O 587424039 NIGBRUNJXRQCDN-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587455144 JTSQPQVLOZNKKB-KIVTUJJHSA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCOc1cccc(OC)c1)CC2=O 587469463 FGJDAHLPXHOEQU-XMMPIXPASA-N 421.493 4.940 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CSCC(=O)O)(c1ccc(Cl)cc1)CC2=O 587491823 NIPONMPSRRLFER-OAQYLSRUSA-N 420.914 4.677 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccccc1OCOC)CC2=O 587492869 YEVREAGSPDWBKM-VWLOTQADSA-N 419.477 4.631 0 1 HJAF CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2c1c(Br)cc1n[nH]cc12 587622144 YQYUVBOMCVLENK-UHFFFAOYSA-N 419.666 4.699 0 1 HJAF CC(C)Oc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655620 BKZFPWSDPIMIPN-UHFFFAOYSA-N 420.415 4.817 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C[C@H]2F)N1 587738612 PLVDORGTCAPGOK-IFZYUDKTSA-N 421.329 4.562 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587764619 ALVCKIBXCZDZNS-CMLHRNETSA-N 415.350 4.612 0 1 HJAF CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793432 FBTAVOLYCIAPDH-SPLOXXLWSA-N 420.322 4.514 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccccc2)N1 587826855 JOGXUSPGEVUKFX-RNODOKPDSA-N 406.295 4.621 0 1 HJAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834447 RIPVYSLYMFOQDE-GQNMWPQZSA-N 420.322 4.554 0 1 HJAF COc1ccc(/C=C\C(=O)N2N=C(c3ccncc3)O[C@H]2c2c[nH]c3ccccc23)cc1 653719017 BNEXXGIFCNHMBS-DIRLVWTMSA-N 424.460 4.504 0 1 HJAF CCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC(C)(C)CC)c1ccccc1CC2 653795168 UGJZDKZANYFOOR-UHFFFAOYSA-N 409.530 4.797 0 1 HJAF Cc1cc2c(cc1F)[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)NCC2 962086904 BALNZUQSYNFIMH-YHAMSUFESA-N 421.512 4.866 0 1 HJAF CC(C)[C@@]1(c2ccc(Cl)s2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983022 YIEAFELRSABMAA-GTNSWQLSSA-N 406.281 4.832 0 1 HJAF Cc1cccc(CC[C@@]2(C3CCC3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963226239 KVWMLIWXNGUUSA-RSXGOPAZSA-N 400.522 4.770 0 1 HJAF [C-]#[N+]c1cccc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CCC4)C(=N)N3)s2)c1 1772628188 NIKMCOHYQYSMPX-SFHVURJKSA-N 419.959 4.752 0 1 HJAF CC(C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO)=C[C@H](C)[C@@H](O)C(C)=CC(C)C 2356734099 QQZJCNSHAVQKIC-VXNXHJTFSA-N 401.591 4.644 0 1 HJAF Cc1cc(=O)oc2cc(CN3C(=O)[C@@H](n4c(C)ccc4C)c4cc(F)ccc43)ccc12 206030760 MDBXXXKRJXUDKP-DEOSSOPVSA-N 416.452 4.795 0 3 HJAF CC[C@H](C)OC(=O)/C(Br)=C1/OC(=O)c2ccccc2-c2ccccc21 1644150 OIQVXJKBGVCCMO-GHXQLAGASA-N 401.256 4.929 0 1 HJAF CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)sc2c1 5085889 CNQCJWJURUHIDR-UHFFFAOYSA-N 416.934 4.599 0 1 HJAF COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCN(C)CC1 8662785 CGRPEMVYTZGPEU-UHFFFAOYSA-N 416.884 4.648 0 1 HJAF CC(=O)OC[C@@]1(C)CCC[C@@]2(COC(C)=O)[C@H]1CC[C@@]1(C)c3cocc3CC[C@H]21 40395029 JBMZWHIPLKEEMI-OSFFKXSWSA-N 402.531 4.813 0 1 HJAF O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 40898944 ZYMNWOUZKYNDFT-UHFFFAOYSA-N 417.534 4.798 0 1 HJAF CC(C)NC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1 49112658 JNLDTSJNIMEHPC-UHFFFAOYSA-N 410.521 4.986 0 1 HJAF O=C(Nc1ccccc1)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72185561 RTKLKJFACGWOBY-QFIPXVFZSA-N 424.907 4.813 0 1 HJAF CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 82188492 LBUUPIZUJLSLQN-FQEVSTJZSA-N 420.605 4.726 0 1 HJAF CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2OC)cn1 84633499 VCWSLEWLUZQPBS-UHFFFAOYSA-N 420.444 4.572 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95877454 ZTJKFGGOMWESKA-OYDLWJJNSA-N 420.459 4.622 0 1 HJAF O=c1nc(-c2ccccc2C(F)(F)F)sn1-c1ccc(OC(F)(F)F)cc1 103200225 BPXXWSCUAUYAPZ-UHFFFAOYSA-N 406.307 4.878 0 1 HJAF O=C1N[C@@H]2C=CC(c3ccc4c(c3)CN3CCC4(c4ccc(Cl)cc4)CC3)=C[C@@H]2O1 114351815 BXKXPJPYACCXTA-PKTZIBPZSA-N 418.924 4.666 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(N2CCCCC2)c1 167534132 QXRWNWHIOABJLL-NQIIRXRSSA-N 408.542 4.804 0 1 HJAF CC(C)(C)c1cccc(C(=O)NCC2(NC(=O)c3cccc4nocc34)CCCC2)c1 213550668 ZVPHHRCZSPAOCC-UHFFFAOYSA-N 419.525 4.598 0 1 HJAF in-vitro CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299886327 WZWCXOCRBVUFLQ-SXSPYAJSSA-N 401.595 4.890 0 1 HJAF CCCCc1cc(=O)oc2cc(OCc3nc4c(F)cnc(Cl)c4[nH]3)ccc12 586918929 TXWJCAJXAGIJHF-UHFFFAOYSA-N 401.825 4.778 0 1 HJAF COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3cccc4c3c(c2C1)CC4 587207668 INLBAHXFRWIWDO-HSZRJFAPSA-N 422.322 4.696 0 1 HJAF O=C(O)CC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331588 HZBCZJPXVIGFCY-ISKFKSNPSA-N 424.399 4.790 0 1 HJAF Cn1cc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2n1 587342293 MRIBIEICQFEARI-VWNXMTODSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nc4sccn14)[C@@H](C2)C3=O 587450627 GUUBRMNYLJIERW-AOMKIAJQSA-N 402.475 4.869 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)CC2=O 587471000 PTTXJSCLAMUXAK-WMZHIEFXSA-N 403.519 4.906 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)CC2=O 587489073 MTKYMNHJZBZNQO-VWLOTQADSA-N 402.446 4.952 0 1 HJAF O=C(O)c1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587496184 HJNULPWLNMHDEN-SFHVURJKSA-N 401.256 4.733 0 1 HJAF O=C(O)/C=C\C1=COc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587505183 YULMOUQSLRLMBF-BNHFJAFVSA-N 422.864 4.997 0 1 HJAF CCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 587585300 CZFQXXYRVMLHQB-OFNKIYASSA-N 414.417 4.708 0 1 HJAF CC(C)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587594026 JZNJUZNSJNEPDJ-ZJSXRUAMSA-N 406.434 4.836 0 1 HJAF Cc1c(Br)cncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587683642 OGLVRABTSCWQBB-ZKANADHPSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725281 OOMDMDVIBVDEJS-MPBGBICISA-N 418.285 4.711 0 1 HJAF CCC(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587741126 GASJEGRAZAQKBI-YUNKPMOVSA-N 405.311 4.734 0 1 HJAF Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1ccccc1 587751818 AXJLSYHBSJQYND-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802319 LDPVWZQFZRHBFH-BIBXISHDSA-N 416.294 4.611 0 1 HJAF C[C@@]12CCN(C(=O)Cn3cnc4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 653795124 JOPYJOGKZZNQSP-SVBPBHIXSA-N 422.532 4.573 0 1 HJAF O=C1c2cc(O)ccc2[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(O)ccc21 962674404 XEADOXGYBUFGDX-NDEPHWFRSA-N 419.480 4.747 0 1 HJAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc3cnccc3c2)N1 963178476 LCYQZFYJRGXCSV-QAPCUYQASA-N 406.791 4.595 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(C(=O)O)=C1SCCCN1c1ccccc12 963231103 PZDCLVRBMNAFDQ-CRICUBBOSA-N 420.578 4.840 0 1 HJAF COc1ccc2c(c1)c(-c1nc3ccccn3c1C)cn2S(=O)(=O)c1ccccc1 1857556617 SJTRTMWJCBAHFJ-UHFFFAOYSA-N 417.490 4.510 0 1 HJAF Cc1cc(OCCCCN2CCN(c3ccccc3F)CC2)c2c(C)cc(=O)oc2c1 1857770738 PQMPCPLBZWPBBR-UHFFFAOYSA-N 424.516 4.530 0 1 HJAF CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1 1857772881 WKSJGYBJRRFCKW-UHFFFAOYSA-N 422.960 4.586 0 1 HJAF COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 36388462 UDRVLYFONRIEAW-PGRDOPGGSA-N 422.500 4.774 0 3 HJAF COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)N2CCCCC2)cc1 7998344 HXCSTHZIHWOGEA-HJOGWXRNSA-N 423.509 4.761 0 1 HJAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 15632288 FIMCTLSERDRJMJ-UHFFFAOYSA-N 418.400 4.697 0 1 HJAF COCCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O 17221515 AGCUNNGZFILFIJ-XQRZMJPBSA-N 422.569 4.833 0 1 HJAF c1cc(COc2ccc(-c3nnn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1 28220731 XMGVEHYWTGSGLB-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2C[C@H]1N1CCCC1 29548871 GMXYALWRCZHEEM-NHCUHLMSSA-N 403.353 4.697 0 1 HJAF O=C(NCCCc1ccncc1)N(CCC1CCCCC1)CCC1CCOCC1 58603162 SNVHSLBQYCPEKE-UHFFFAOYSA-N 401.595 4.813 0 1 HJAF COc1cccc(Sc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)c1 71316499 INBNTRBWUKHTMM-UHFFFAOYSA-N 408.508 4.872 0 1 HJAF CCN(CC)CCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC 73240639 IMMFCUVGFIDZKE-UHFFFAOYSA-N 411.498 4.675 0 1 HJAF CC(=O)N1N=C(c2ccccc2Br)C[C@H]1c1ccc2oc(=S)[nH]c2c1 96934831 XWQUMDJGTQJCHP-INIZCTEOSA-N 416.300 4.950 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(OC[C@@H](C)O)c2)cc(-c2ccc3ncsc3c2)n1 205833856 KZOODEXQLVTCCJ-CABCVRRESA-N 420.538 4.994 0 1 HJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)OCCO3 586980582 BCGMMIKKJHXOJE-UHFFFAOYSA-N 410.271 4.863 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(N5CCNCC5)c(F)c4)nc13)-c1ccccc1C2=O 586995124 IPRBNGUYDQSVEU-UHFFFAOYSA-N 423.491 4.970 0 1 HJAF Fc1c(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F 587077536 VVKZBGWSWLCLHT-GFCCVEGCSA-N 412.621 4.874 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587221296 VPQJBOMCOVXCFS-IBGZPJMESA-N 419.868 4.522 0 1 HJAF CC(=O)c1cc(N)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587332381 GEMHRZRDJINJQF-VWNXMTODSA-N 405.425 4.590 0 1 HJAF C[C@H](Oc1ccccc1O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347700 MHCHCTDKSXPNCC-XYXGBRQHSA-N 408.425 4.822 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)O2 587391910 ZXLKFQVLUFETKI-BXKMTCNYSA-N 418.493 4.542 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cn4cccc(C)c4n3)cc1)O2 587392979 AEFUWWAGQQLVKM-QHCPKHFHSA-N 413.477 4.819 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O 587472144 XMNZENKQOQESCH-WNSKOXEYSA-N 403.519 4.764 0 1 HJAF O=C(O)CC[C@]1(CCC(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530956 XCXJTDNQGHRDSO-RUZDIDTESA-N 406.478 4.797 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557231 QVDVOAMZJZARJJ-FXAWDEMLSA-N 401.340 4.817 0 1 HJAF COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 587600585 OMITWAPTFARNGT-WIOPSUGQSA-N 402.446 4.983 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC[C@H]1CCCO1 587605792 BAMDKTLWZVPLMF-LREARKGRSA-N 418.445 4.653 0 1 HJAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)o1 587617931 RKSOFDVZLUWBJU-OFNKIYASSA-N 402.358 4.761 0 1 HJAF CCOC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657037 QTLONZYPZNMTCN-UHFFFAOYSA-N 406.388 4.508 0 1 HJAF CCOC(=O)C[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796431 KGDVTMPDACHODA-LHSJRXKWSA-N 420.322 4.628 0 1 HJAF CC(=O)Oc1ccc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814106 XUDLAYDNKJHGSB-ZSEKCTLFSA-N 420.322 4.896 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(c2ccccc2)N1 587816486 YUVQQMVXAVYRRG-ZSEKCTLFSA-N 402.307 4.735 0 1 HJAF C[C@H](CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)CC(=O)O 587959859 BFFIINCKCCMZQQ-CYBMUJFWSA-N 417.303 4.948 0 1 HJAF Cc1c([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cccc1C(F)(F)F 962640685 POSQYLOJPKGLTC-CJNGLKHVSA-N 419.321 4.601 0 1 HJAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccco3)cc2)C2CC2)CC1 1772623412 VPSXLRVUNJNVDJ-UHFFFAOYSA-N 410.514 4.951 0 1 HJAF COc1cc(CC[C@@H](C[C@@H](CC2CCCCC2)OC(C)=O)OC(C)=O)ccc1O 2356371839 REQJTZXHFLPDPI-LEWJYISDSA-N 406.519 4.557 0 1 HJAF CC[C@H](C)C[C@H](C(=O)NC=Cc1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 2356646281 WLLVVSXRRHFJGE-MHECFPHRSA-N 405.542 4.897 0 1 HJAF O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61925633 NFTBRTZBHYACKJ-GOSISDBHSA-N 418.346 4.729 0 3 HJAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc(OCC)c1 4207477 JAQCSGRTIFIMLJ-PZJWPPBQSA-N 400.906 4.747 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5C)CC4)[C@H]3C=C12 6268130 QZODJIXEZBBWEI-QYBRSWJBSA-N 420.597 4.660 0 1 HJAF biogenic COc1ccc(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c(OC)c1 18323794 CPCWCEBGSAHTDC-LWYUSKRHSA-N 408.336 4.766 0 1 HJAF COc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1 26291848 ABFWCZZPERJPEX-UHFFFAOYSA-N 410.539 4.582 0 1 HJAF CCOc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1F 28959932 JLVSJRHQDIMQIU-UHFFFAOYSA-N 402.429 4.677 0 1 HJAF COc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(C(F)(F)F)c3)n2C)cc1 29124602 QHABBWJXRCWUOZ-PLRJNAJWSA-N 421.444 4.528 0 1 HJAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccc(Cl)n2)/C1=C(/O)OCCc1ccccc1 29486625 DRJQEWXGLNLFAN-SRIJWZPRSA-N 413.861 4.830 0 1 HJAF COc1ccc(NC2=Nn3c(nnc3-c3cc(F)c(Cl)cc3Cl)SC2)cc1 40863265 CPXVCTPPHDSYBI-UHFFFAOYSA-N 424.288 4.779 0 1 HJAF O=C(C1CCCCC1)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103061 ZMCXGJDKSOQALT-JOCHJYFZSA-N 415.940 4.688 0 1 HJAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccccc3)ccc21 73220571 RWAPCMBWRXFMQN-SFHVURJKSA-N 405.538 4.680 0 1 HJAF CCC(CC)c1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82184689 RAQJWEVBTBVVOI-FQEVSTJZSA-N 424.568 4.965 0 1 HJAF CC(C)OCCCNC(=O)CCCNc1nc(-c2cc3ccccc3o2)cs1 82195748 PONQGMKVYBJVOF-UHFFFAOYSA-N 401.532 4.680 0 1 HJAF CCC(=O)[C@H]1[C@@H](c2ccc(/C=C(/C)I)cc2)C[C@H]2CC[C@H]1N2 100911879 FMZWUJWDVRSFBN-DNSFQWQBSA-N 409.311 4.686 0 1 HJAF CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1 103295162 KTDORROHRDZEHK-KRWDZBQOSA-N 419.197 4.754 0 1 HJAF Cc1nn(Cc2ccc(COc3ccc(C(F)(F)F)cc3)cc2)c(C)c1CC(=O)O 113989157 ZCRPUGKJUDFCME-UHFFFAOYSA-N 418.415 4.773 0 1 HJAF Cc1cc(-c2ccc(OCC(C)(C)C(=O)O)cc2)ncc1-c1ncc(C(F)(F)F)[nH]1 150275433 VHACFPUDECHQGH-UHFFFAOYSA-N 419.403 4.956 0 1 HJAF O=C(NCCc1ccc(Cl)cc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167178273 BRZNWOOTTUYDER-UHFFFAOYSA-N 419.912 4.860 0 1 HJAF CCCc1nn(Cc2ccc(NC(=O)c3ccccc3)cc2)c(C(C)C)c1CC(=O)O 168900255 AHDHIBQLXZTJHQ-UHFFFAOYSA-N 419.525 4.887 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713487 NVBZLUSKXDCJBQ-WYNYQOBHSA-N 402.623 4.580 0 1 HJAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCC(Cc4ccccc4)CC3)[C@@H]2CC1 299806742 PEVQYMWVEUEPJQ-HOMAGXEVSA-N 423.597 4.777 0 1 HJAF CCc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)NC(=O)C3)cc1 473106864 YLVSJDYMRJDPCQ-UHFFFAOYSA-N 422.506 4.645 0 1 HJAF CC(C)Oc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br 586927824 XWBOMEPMPIYXAY-CMDGGOBGSA-N 421.316 4.557 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586962970 VUZZUQGLIGIEMS-SSDOTTSWSA-N 419.226 4.867 0 1 HJAF CCOC(=O)[C@@H]1CC(C)(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586993237 VOGKAHFZXXXWMW-MRXNPFEDSA-N 401.462 4.771 0 1 HJAF CCN[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341133 WNJSOWZFJIWUIH-PWBHZWRTSA-N 405.469 4.784 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1coc4c(Cl)cc(Cl)cc4c1=O)[C@@H](C2)C3=O 587420283 IDNASMNXESMCIK-WLRWDXFRSA-N 403.217 4.597 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4C)nc4ncccn14)[C@@H](C2)C3=O 587436452 RIIMODGQUMKFON-UUOWRZLLSA-N 411.461 4.510 0 1 HJAF COCCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598065 SXLQLFHJORGPTB-XUZZJYLKSA-N 406.434 4.510 0 1 HJAF CCCOc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609542 NIRVAGYCPTTZLJ-DHLKQENFSA-N 418.445 4.821 0 1 HJAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587630028 DPFUKDTXILCCAD-UHFFFAOYSA-N 404.829 4.601 0 1 HJAF CCOc1ccc(-c2nn(-c3cccc(F)c3)c(=O)c3ccccc23)cc1OCC 587671793 RVCFAYUPNKSEEX-UHFFFAOYSA-N 404.441 4.989 0 1 HJAF COC(=O)c1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587701567 NXIKTLVBNCOOMI-XYZCENFISA-N 412.686 4.652 0 1 HJAF CCN(/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)CC 587706814 RHLPPZDNZJHDFF-SSLBQGRJSA-N 409.265 4.736 0 1 HJAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1 587751822 AXYFPXDONXKUAE-ODXCJYRJSA-N 400.295 4.706 0 1 HJAF Cc1ccc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839039 POURIDGWKGSZNO-NSPYISDASA-N 402.263 4.627 0 1 HJAF COc1ccc(/C=C\Cc2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c1 587930211 QXXBUGORXJMQRR-ARJAWSKDSA-N 408.683 4.647 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cccc(OCCCC(=O)O)c1 962399440 PTJDKYBFYCXQJQ-DEOSSOPVSA-N 424.566 4.652 0 1 HJAF CC(C)c1nn(C)cc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831333 FSRNVWNUIPFFJW-XMMPIXPASA-N 400.526 4.839 0 1 HJAF COc1ccc(/C=C2\C(=O)Nc3ccc(C(=O)c4ccco4)cc32)cc1Br 1857595236 TUMNWTLWKCNLFT-DHDCSXOGSA-N 424.250 4.774 0 1 HJAF C[C@@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1cccc(Cl)c1 772429 HGIJBLHDIXYMEL-LJQANCHMSA-N 411.716 4.746 0 1 HJAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774711 ZVVCGXICEAURMO-QGZVFWFLSA-N 422.868 4.588 0 1 HJAF CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NC)CC(C)(C)O2 2486534 YGKGRFFXAGLACQ-OAQYLSRUSA-N 423.557 4.660 0 1 HJAF Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3cncc3C)ccc12 5892932 DZNFPGXQMQBWRK-UHFFFAOYSA-N 401.514 4.908 0 1 HJAF CCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 13650954 QGOLOCAMUGDALX-KRWDZBQOSA-N 405.450 4.869 0 1 HJAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(F)cccc1F 13747514 SOBKGZDYALJZRX-UHFFFAOYSA-N 413.442 4.624 0 1 HJAF S=C(Nc1ccnc2cc(Cl)ccc12)N1CCN(CC2CCCCC2)CC1 28950274 AGJTXRGLHBAMLZ-UHFFFAOYSA-N 402.995 4.783 0 1 HJAF CCCCCC(=O)N(C)c1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29473169 UZKVHQDQYQFEBT-UHFFFAOYSA-N 408.498 4.940 0 1 HJAF N=C(N)c1ccc(OCc2cccc3c(COc4ccc(C(=N)N)cc4)cccc23)cc1 43059486 WQXCKIVVLKCPOL-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@@H]1C(=O)c1cc(Cl)ccc1N2O 49844741 MGPRWPRKOWIGJM-LSKLOWJMSA-N 409.791 4.882 0 1 HJAF Cc1cccnc1Oc1cccc(C=C2CCN(C(=O)Nc3cccnn3)CC2)c1 66101789 UEDGMRJVSSTFRC-UHFFFAOYSA-N 401.470 4.684 0 1 HJAF COc1ccc(OC[C@@H]2c3ccc(OC)cc3CCN2C(=O)c2ccccc2)cc1 96271987 OMTJSZYECVWDBU-XMMPIXPASA-N 403.478 4.522 0 1 HJAF CC(C)(O)c1c(N(CCCF)S(=O)(=O)c2ccccc2)sc2ccccc12 115230391 KINMQCHLTVWADS-UHFFFAOYSA-N 407.532 4.684 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(N2CCCCC2)c1 167311832 FSJIJHVMTMAXFG-NRFANRHFSA-N 408.542 4.948 0 1 HJAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C(F)(F)F)c(C)[nH]1 218909856 FZKUNNIPFYMIEW-UHFFFAOYSA-N 424.426 4.824 0 1 HJAF C[C@H]1C[C@H]2CC(=O)N[C@H](c3ccccc3)[C@H](C)C=CCC(=O)N2[C@H]1c1ccccc1 254043352 KZQIDWVGSIGTGJ-SBJUEGJXSA-N 402.538 4.808 0 1 HJAF O=C1C[C@H](c2ccccc2Br)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845686 OMFZHJNGAXURSE-QHAWAJNXSA-N 413.359 4.824 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 586916205 LEENKQIVPWIWQZ-YJYMSZOUSA-N 403.251 4.681 0 1 HJAF OCc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 587166444 ZPIWEOMXLGMCTB-UHFFFAOYSA-N 413.456 4.532 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(Br)cc1OC)CC2=O 587457290 GLEABNAUPCCEKZ-GOSISDBHSA-N 421.287 4.831 0 1 HJAF Cc1c(Br)cncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548397 UGMDGXAOPCZJLS-XLIONFOSSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Br)c1 587559651 YJYZNMJHSDOMMG-YLJYHZDGSA-N 415.214 4.997 0 1 HJAF CN(c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CC1 587572677 UBQXEHHAXNBSPE-XUZZJYLKSA-N 405.425 4.833 0 1 HJAF Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 587573421 BUOVPVJBZSAAAW-BVAGGSTKSA-N 407.425 4.860 0 1 HJAF CC(C)[C@@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587513 OFTUKVCINZXRNA-RDPSFJRHSA-N 417.417 4.752 0 1 HJAF O=C(c1cc2cc(F)ccc2[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658097 FUYWATSGTBHDCE-UHFFFAOYSA-N 401.372 4.512 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587703239 GLEWYKOBBUXXRP-HUTHGQBESA-N 408.702 4.821 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 587709457 MVPHHVCKNVQDTO-JDNHERCYSA-N 416.212 4.957 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCCN(C)C)N1 587742226 QKXRXMPBUVYIQP-SPLOXXLWSA-N 421.354 4.542 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587758226 CJZJQLVMHQGUJN-ZTFRIQLXSA-N 413.331 4.563 0 1 HJAF Oc1nc(O)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 587784592 SCTLOWWZJALSOW-UHFFFAOYSA-N 424.460 4.601 0 1 HJAF CSc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587846319 QOCPMJVHBAPEIQ-DGIBIBHMSA-N 424.335 4.705 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccs3)n(C)n2)N1 587852675 MSWDCINJDYMVMU-YPMLDQLKSA-N 406.324 4.674 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccn3)s2)N1 587853513 NQTFBSRVAZBRHY-QGHHPUGFSA-N 404.308 4.730 0 1 HJAF CCCc1c(C(=O)N(CC)CC)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12 653833257 RLYLWQXQSCLCQE-UHFFFAOYSA-N 409.530 4.877 0 1 HJAF COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 653840606 IQQLLSCWXIPDOD-HXUWFJFHSA-N 411.502 4.521 0 1 HJAF Cc1c(F)ccc2c1[C@@H](C[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C)NCC2 962297601 KCTNFLLHRJAAGV-PZJWPPBQSA-N 416.512 4.986 0 1 HJAF C[C@]1(CCCC(F)(F)F)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190871 YAOQGEBAWIGTSZ-IINYFYTJSA-N 403.750 4.906 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)OC)c1c(Cl)cccc1OC 963244366 WIVZQDNNNOVSFA-HJPURHCSSA-N 401.934 4.812 0 1 HJAF CNc1cc(-c2ccc3cnn(Cc4ccc(C(F)(F)F)cc4)c3c2)cn(C)c1=O 1857612217 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CC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1 13559342 STXVJXDZKPQFSK-UHFFFAOYSA-N 408.473 4.536 0 1 HJAF CO[C@@H](C)C(=O)N(c1ccccc1Cl)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26734555 GXUBZESBVOAOLU-IPJJNNNSSA-N 414.977 4.661 0 1 HJAF CCOC(=O)N1CCC(c2ccccc2C)(S(=O)(=O)c2ccc(Cl)cc2)CC1 28349914 VPPCVFUXHPKUGU-UHFFFAOYSA-N 421.946 4.570 0 1 HJAF CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccccc2)s1 40410927 ONFJDPCAUONRQT-UHFFFAOYSA-N 409.623 4.561 0 1 HJAF O=C(COc1ccc(Cl)cc1)NCc1ccc(CNc2noc3ccccc23)cc1 45324678 CJEIHTUUXATNGI-UHFFFAOYSA-N 421.884 4.789 0 1 HJAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3F)n2)C1 82152382 FHOQZQJCPBVCFH-ROUUACIJSA-N 418.516 4.695 0 1 HJAF CC(C)N(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(C)C 101469573 LNQFENFKXQKWQU-ZRBLBEILSA-N 400.607 4.822 0 1 HJAF CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1 103295165 KTDORROHRDZEHK-QGZVFWFLSA-N 419.197 4.754 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 104075831 HTJRABLRPQVITC-OXJNMPFZSA-N 401.890 4.870 0 1 HJAF CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccccn3)ccc1O2 117722025 GIYVJINEXDOFJS-VWLOTQADSA-N 415.493 4.868 0 1 HJAF O=C(Nc1ncc(C(=O)O)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 140743417 DELDTQNVQWISSR-UHFFFAOYSA-N 421.400 4.725 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(OCC(F)(F)F)c1 167069429 ATPYATWACZYQRA-YOEHRIQHSA-N 423.431 4.755 0 1 HJAF COc1ccc(F)cc1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 219465900 WOKIAMLNFBVNQG-MRXNPFEDSA-N 424.350 4.818 0 1 HJAF CSc1sc(-c2nc3cncc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920717 WHORLQPUSREOEV-UHFFFAOYSA-N 422.384 4.897 0 1 HJAF CCCOc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br 587024885 GMHZDEHFQNTPKG-UHFFFAOYSA-N 417.379 4.547 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587035156 PATDTXQZLLFGEE-OAHLLOKOSA-N 418.522 4.934 0 1 HJAF Fc1c(Br)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126518 CDYQDMKXNPZYDE-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(C)=O)cc4[nH]3)cc2)cc1F 587147237 HRNYEGKSLMJQPA-UHFFFAOYSA-N 415.468 4.912 0 1 HJAF CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348337 NTAAQUUAURJBTC-XTZPKPCCSA-N 412.457 4.772 0 1 HJAF COC(=O)CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355602 YTVSEWSMELQOAD-ILBGXUMGSA-N 420.436 4.739 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OC(C)C)[C@@H](C2)C3=O 587411650 FTXAOESRWVTNIO-YWZLYKJASA-N 403.272 4.734 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1Br)[C@@H](C2)C3=O 587422912 WDJHXZGIMJPUQI-YVEFUNNKSA-N 413.189 4.965 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O 587469173 XKCYZKGMHIXVQV-NTKDMRAZSA-N 414.473 4.630 0 1 HJAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592536 ADZREZMTWMMLKH-GQNXAPNHSA-N 424.493 4.728 0 1 HJAF CC(C)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587595046 ODTHZNBQQPMLLA-WIOPSUGQSA-N 401.462 4.866 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCN(C)C)cc2)N1 587740740 KMFPDDVHUWTUJD-QKKBWIMNSA-N 421.354 4.542 0 1 HJAF CC(C)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745907 XPYAWEYCKVJHCV-ASSNKEHSSA-N 419.338 4.980 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)CC[C@H]2C)N1 587770776 UJNMWWAVXLODDG-MCFFVMPBSA-N 417.366 4.860 0 1 HJAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2cc(OC)cc(OC)c2)cc1 653721771 SWCYBEXSMRIJLW-RPWUZVMVSA-N 404.462 4.833 0 1 HJAF COC(=O)c1cc(Cl)cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)c1 962399498 QTXAIJHNZDFAKS-HXUWFJFHSA-N 400.931 4.674 0 1 HJAF O=c1[nH]ccn2nc(-c3ccccc3)c([C@@H]3NCCc4cc(-c5ccccc5)ccc43)c12 962658628 DLRLQSXWFKSERA-RUZDIDTESA-N 418.500 4.592 0 1 HJAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(C=Cc3cccc4cccc2c34)N1 962705303 VVIXWVHXHSIYJE-KNQAVFIVSA-N 413.370 4.867 0 1 HJAF COc1cccc2cc3c(nc12)[C@]1(CCOc2cc(Cl)cc(Cl)c21)NCC3 963052821 DWZQHMGFVQGPTH-OAQYLSRUSA-N 401.293 4.722 0 1 HJAF COc1cccc(OC)c1[C@]1(c2ccnc(C)c2)c2c(F)cccc2C[C@@H]2CCCN21 963113663 ZEFQDBLRIPSWNK-FNZWTVRRSA-N 418.512 4.859 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C(=O)c1ccc(C)c(C)c1)c1ccccc1 963631420 DIJXGTGXNAOHHF-UZTOHYMASA-N 415.533 4.981 0 1 HJAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 1857551635 JCRFGKRHKNKPCL-MRXNPFEDSA-N 418.884 4.697 0 1 HJAF O=c1[nH]cc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2cc(Br)ccc12 1857620481 CEYXRFDGHXGZBW-UHFFFAOYSA-N 405.255 4.829 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]3CC[C@@H](C(=O)O)[C@@H](C=CC4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12 2356546689 QBUNBRGDEZXPAU-ODJBRYBRSA-N 416.558 4.704 0 1 HJAF CC(=CCS(=O)(=O)CCNC(=N)N)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@H]1C 2356719482 ZKAIIIOGWKNEAA-FYYLOGMGSA-N 423.667 4.720 0 1 HJAF C[C@@]12CC[C@@]3(C1)[C@H](CC2=O)C[C@H](OC(=O)c1ccccc1)[C@@H]1[C@H](CO)CCC[C@]13C 2356780876 GWDZFSLRNFJCLZ-VGWQLFKWSA-N 410.554 4.796 0 1 HJAF Cn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)c2ccccc21 12438885 PCBJMCWBPSKLNV-WYRQLCSISA-N 419.956 4.770 0 3 HJAF O[C@@H](CCN1CCN(c2ccc3ncccc3c2)CC1)c1csc2ccccc12 13491132 SMGADQUWFYVSES-QHCPKHFHSA-N 403.551 4.695 0 1 HJAF CN(Cc1nc2ccc(F)cc2c(=O)n1-c1ccccc1Cl)c1ccccc1F 13862786 YXEYBIQZOWYSHS-UHFFFAOYSA-N 411.839 4.954 0 1 HJAF COC(=O)c1ccc(Cl)c(NC(=O)c2cnc3c(n2)C(C)(C)CCC3(C)C)c1 26833085 AALUMHAEGNRYLF-UHFFFAOYSA-N 401.894 4.518 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cccn2)cc1 38396200 RCUTXJICVDHZFT-HSZRJFAPSA-N 415.493 4.890 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc2ccncc21)C(F)(F)F 64446662 JVNZWCHMCPIYAT-FQEVSTJZSA-N 410.411 4.845 0 1 HJAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC 102344131 JWYCTIJDXLZLTN-FQEVSTJZSA-N 405.454 4.734 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1csc(-c2ccccc2)n1 166581172 QOFWEFQLAAVPSJ-CRAIPNDOSA-N 408.523 4.937 0 1 HJAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(C(F)(F)F)c1 169723958 ZBTLHKWMVRDATP-DOTOQJQBSA-N 411.420 4.668 0 1 HJAF O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1ccccc1C(F)(F)F 205727777 DWJQNCKPQJYNGD-UHFFFAOYSA-N 419.305 4.908 0 1 HJAF Clc1ncnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 587016676 BGKQIMWKKYNVDK-UHFFFAOYSA-N 412.725 4.545 0 1 HJAF COC(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1 587046545 IUDPKINDAQYQPJ-YVMONPNESA-N 415.877 4.612 0 1 HJAF NS(=O)(=O)c1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047075 ALEZBZPDDFWUQR-UHFFFAOYSA-N 418.305 4.851 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2F)c1 587144129 QRPVSUIIWSODMQ-UHFFFAOYSA-N 415.783 4.930 0 1 HJAF CCOC(=O)C[C@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343970 ATTUTZKMYHUUEM-VWNXMTODSA-N 412.457 4.772 0 1 HJAF CCOC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587344585 DDNUNFNHGHMXRI-RCZVLFRGSA-N 420.436 4.982 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O 587426287 BWYXXYWDYZOGMD-HRAATJIYSA-N 412.848 4.530 0 1 HJAF COc1ccccc1C[C@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523002 FVJVANPZFSTCGP-VPUSJEBWSA-N 417.549 4.615 0 1 HJAF O=C(O)c1ccccc1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532264 KJPODTGKYPSXMF-AREMUKBSSA-N 414.457 4.878 0 1 HJAF COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1C 587589690 POJDMWIOLYVKRU-URXFXBBRSA-N 401.418 4.893 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N)N1 587681228 RIRVFJJWRCUELN-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccccc2)N1 587722882 UKUYDJAXSRVWKK-WLRWDXFRSA-N 412.249 4.590 0 1 HJAF COc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587767687 JTSBTWMFZFMLHI-CQSZACIVSA-N 419.338 4.627 0 1 HJAF Cc1cccc(N2CCC([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CC2)n1 587769731 PMFUZSMNDPVIPU-SZNDQCEHSA-N 418.354 4.784 0 1 HJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587788039 ZCXXOCKKTRYUJO-VXGBXAGGSA-N 411.330 4.556 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1Oc1ccccc1 587814480 ZTKZPPQALKPTGH-NHDXWUKRSA-N 420.322 4.574 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(Cc3ccc4c(c3)OCO4)C2)N1 587837122 ZMHRVHMQMXWHFF-LTKVMPMFSA-N 418.306 4.699 0 1 HJAF COc1cccc(COc2ccccc2-c2ccn([C@H]3CCCC[C@@H]3O)c(=O)c2)c1 653697828 ONUAGIDONRAFAV-GOTSBHOMSA-N 405.494 4.579 0 1 HJAF O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CC1 653710281 NTCFZAQAAVLMJU-UHFFFAOYSA-N 401.466 4.663 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccoc1)c1ccc(CCN)s1 962375036 QWDPEMCDAMVNGV-QHCPKHFHSA-N 423.607 4.593 0 1 HJAF COc1c(C=O)cc(C)cc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962636790 JDYFKBFBNQXDMF-BVAGGSTKSA-N 412.533 4.652 0 1 HJAF COc1ccccc1[C@@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962770991 ULVQAHHUTHRRCD-REWPJTCUSA-N 411.423 4.633 0 1 HJAF CCOc1cc([C@H]2NCCc3ccc(O)cc32)c(Br)cc1OC(C)C 963343418 VSAWLTLMAWUVIC-FQEVSTJZSA-N 406.320 4.576 0 1 HJAF CCOC(=O)[C@H]1CCCC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832284 NEXQHQICJGIWNR-ATIYNZHBSA-N 418.537 4.841 0 1 HJAF Fc1ccc(Cn2cc(CN=c3c4c([nH]c5ccc(Cl)cc35)CCCC4)nn2)cc1 1772634435 BHHZBKOZJIYTDH-UHFFFAOYSA-N 421.907 4.580 0 1 HJAF COc1ccc2c(c1)c([C@H]1CC(c3ccccc3)=NN1C(=O)c1cccnc1)cn2C 1857769416 DHQKDMZWCGDIQM-XMMPIXPASA-N 410.477 4.573 0 1 HJAF CC=C(C)C(=O)OCc1c2c(c(OC)c3occ(COC(C)=O)c13)CCC[C@@H]2C 2356637832 HGIPTKYNICIYKL-AWEZNQCLSA-N 400.471 4.954 0 1 HJAF C[C@@H]1[C@@H]2CC[C@@H](CO)CN2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356664296 PHPBOUSFBOILOX-OFQCQYKASA-N 413.646 4.627 0 1 HJAF CC(=O)O[C@@H]1CC(C)=C[C@H](O)C[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@H]12 2356807113 WDTBQSJQTGAXSP-QAEOVTHMSA-N 406.563 4.586 0 1 HJAF COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)cnc21 3927448 GCVWKECVGWHUEU-SFHVURJKSA-N 411.864 4.819 0 1 HJAF Cc1cc(N)c2ccccc2[n+]1CCCCCC[n+]1c(C)cc(N)c2ccccc21 6069906 LINDRLLQNAMAOH-UHFFFAOYSA-P 400.570 4.610 0 1 HJAF CC1=C(Cc2cc(CO)cc(O)c2OS(=O)(=O)O)[C@]2(C)CCCC(C)(C)[C@H]2CC1 14710113 ILWBTSYVQZWXFP-KNQAVFIVSA-N 424.559 4.552 0 1 HJAF biogenic CCCc1cn(Cc2ccc(C(=O)O)cc2OC)c2cc(C(=O)NCC(C)C)ccc12 27325935 UXARRKPXQFQNGJ-UHFFFAOYSA-N 422.525 4.735 0 1 HJAF CCCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2s1 28520256 WKTAQOQKWLZXDH-UHFFFAOYSA-N 412.559 4.869 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801297 FZSXHRMZIAUGIF-LCZCFEKFSA-N 402.623 4.772 0 1 HJAF CN1CCCN(Cc2ccc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cc2)CC1 45301609 QEYNOFOFKQYHPQ-UHFFFAOYSA-N 417.528 4.883 0 1 HJAF c1ccc(COc2cccc(-c3nc(-c4cccnc4)cc(N4CCOCC4)n3)c2)cc1 66263171 KRYGXYABVJKKFT-UHFFFAOYSA-N 424.504 4.621 0 1 HJAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@H]1CCCN1C 82185235 KVBILLQCNJVOAY-GOSISDBHSA-N 412.969 4.529 0 1 HJAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(F)(F)c4ccccc4)cc3)c3c(N)nccn32)C1 100618818 QXYZHRYXSNHAFM-PAVFIEEWSA-N 420.463 4.747 0 1 HJAF CCC[C@H](Nc1nnc(C)c(-c2cc(OC)c(OC)c(OC)c2)n1)c1ccccc1 138612506 HWMMLXPOBNTGQA-SFHVURJKSA-N 408.502 4.826 0 1 HJAF CC(C)(O)C1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 138985095 NLVNEPISTCEXEZ-UHFFFAOYSA-N 404.514 5.000 0 1 HJAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@@H](O)C=C(C)[C@@]21C 238774643 NVEWIEAUNOPBPT-JBLBMRDOSA-N 416.558 4.507 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899342 YOVDOIQHQBIMRC-UHFFFAOYSA-N 421.522 4.681 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)cc1 586930733 GAEUGJDSBHSLSY-UHFFFAOYSA-N 409.486 4.811 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 587025631 HUGKLHPJAVATLW-IMJJTQAJSA-N 400.935 4.748 0 1 HJAF CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N 587329777 APIWEBHRFKHOLM-VWNXMTODSA-N 407.441 4.787 0 1 HJAF CCn1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587332479 QVIILMJIZOYNBG-NQIIRXRSSA-N 400.837 4.675 0 1 HJAF Nc1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577265 RMBQHDCXOPJXRI-ZEQKJWHPSA-N 407.425 4.860 0 1 HJAF CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccc([C@H](C)CC)cc12 587643623 VRFQHMYGOGBCOY-CQSZACIVSA-N 404.466 4.654 0 1 HJAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756460 LFWQHDSRLKBSFX-GTJPDFRWSA-N 417.322 4.973 0 1 HJAF Cc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779763 VUSIVLBUKQOSLH-JEOXALJRSA-N 401.279 4.774 0 1 HJAF CCOCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798597 PDVIQGIFWSXNHA-YUNKPMOVSA-N 408.311 4.757 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 587835254 ONNHZBUZDMCCAP-MPBGBICISA-N 406.295 4.547 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(OC)ccc1OC 587858935 PVKSEVHHTUGHBQ-UHFFFAOYSA-N 421.280 4.961 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccccc1OC1CCOCC1 962401238 WOVDAXKBJLGVEM-XMMPIXPASA-N 408.567 4.792 0 1 HJAF COc1ccccc1-c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218123 CBCOQRBSUBMQFN-NOZRDPDXSA-N 410.473 4.599 0 1 HJAF O=C(C[C@H]1C(=O)CCC[C@]12NCCc1ccc(O)cc12)c1ccc(Cl)cc1Cl 963328512 HDKKZLWOZNKFGY-PGRDOPGGSA-N 418.320 4.682 0 1 HJAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C2CCC2)(C2CC2)N1C(=O)c1ccccc1 963413374 GTNUGRCMBIQIKR-BKMJKUGQSA-N 414.505 4.725 0 1 HJAF CCOC(=O)C1=C2CC[C@H](C)N2C(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857637847 YAJJXYMKLMMJQC-GTNSWQLSSA-N 419.909 4.739 0 1 HJAF CCOC(=O)C1=C2CCCCN2C(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857748893 CUIUHJAJHBOWPO-KRWDZBQOSA-N 419.909 4.740 0 1 HJAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 2356753125 VHVYWBGGSJQQCN-NXMSCROESA-N 414.498 4.726 0 1 HJAF Cc1cccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=O)c1 2156568 PJRTZJSMXWTWDQ-ISKFKSNPSA-N 407.473 4.959 0 1 HJAF biogenic CN1C(=O)N(c2cccc(Cl)c2)[C@H](NC(=O)Nc2ccc(Cl)cc2)C1(C)C 4174829 ALPXBQKFDHMDHT-INIZCTEOSA-N 407.301 4.792 0 1 HJAF in-vitro CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4310575 OMPXNOQDDACFGT-PLWAMTLXSA-N 424.944 4.913 0 1 HJAF C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H](O)[C@H]1C)O[C@H]1[C@@H]3C1(C)C 6499567 NDJILOHYAHLIPO-OVTDJOJUSA-N 404.462 4.795 0 1 HJAF CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 13474866 QTRFYRFDHGEFHT-XMMPIXPASA-N 420.509 4.604 0 1 HJAF Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1N[C@H]1CCc2ccccc21 28523016 RQXGJGJDXGEQTI-INIZCTEOSA-N 421.302 4.958 0 1 HJAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](C)[C@H]3O 38149331 MXZOUETYQZMNJY-YTIRJDQMSA-N 406.607 4.724 0 1 HJAF COc1ccc(-n2ccc3c(-n4ccc(-c5nccs5)n4)cc(C)nc32)c(C)c1 40864231 WEIVYTPGBWNIDY-UHFFFAOYSA-N 401.495 4.960 0 1 HJAF Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cccc(Br)n3)c2)c1 40915372 PDBGXSWHHKROQX-AWEZNQCLSA-N 411.303 4.973 0 1 HJAF Cc1ccc2nc(NC(=O)Nc3ccc(-c4nc5[nH]ncc5[nH]4)c(C)c3)sc2c1 49089322 RKCMMTKYNJSATP-UHFFFAOYSA-N 403.471 4.824 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3F)n2)o1 82152147 POXFJPNIDAGWGH-HOTGVXAUSA-N 422.504 4.914 0 1 HJAF CCN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 82216491 ZNDCDBSRQYZEBQ-UHFFFAOYSA-N 412.896 4.683 0 1 HJAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1 100101747 TYXVXPOSHXZWQS-LGKQTMLJSA-N 414.549 4.619 0 1 HJAF COc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(-c2ccc(Cl)cc2)c1 200001446 RIJNYZFHPZMXQB-UHFFFAOYSA-N 409.294 4.865 0 1 HJAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2F)cn1)C(=O)O 218550576 VCRJLSWDHUPZAE-UHFFFAOYSA-N 423.366 4.786 0 1 HJAF CC(C)n1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(Br)c1Br 587005351 UXYDNMVAWOTREV-UHFFFAOYSA-N 419.508 4.532 0 1 HJAF O=C1COc2cc3[nH]c(-c4csc(-c5cccc(Cl)c5Cl)n4)nc3cc2N1 587015843 UWMTVHSWJAFKFV-UHFFFAOYSA-N 417.277 4.991 0 1 HJAF FC(F)(F)Oc1ccc2c(-c3nc4c(OC(F)(F)F)cccc4[nH]3)n[nH]c2c1 587127555 XCFNQZUQNLXJQR-UHFFFAOYSA-N 402.254 4.903 0 1 HJAF Cc1ccc2c(c1)-c1nc3cccc4c3c(c1CCS2(=O)=O)-c1ccccc1C4=O 587209354 ONYTXLNJVMTANL-UHFFFAOYSA-N 411.482 4.751 0 1 HJAF CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C1 587350174 RHOGJRIXYPUKMQ-OILDYERMSA-N 412.457 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1Br)O2 587377458 MQWJQOAAKDEXOD-AWEZNQCLSA-N 411.093 4.809 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)O2 587396648 VBSAFMHMPLMGTC-MWTRTKDXSA-N 402.535 4.871 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Br)s1)O2 587408284 ALQWEQNZHVLSAI-LLVKDONJSA-N 417.122 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(OC)c1F)CC2=O 587466938 QTPFJWAMAWKFFU-MRXNPFEDSA-N 409.251 4.961 0 1 HJAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]2CN(C(=O)OCc2ccccc2)C1 587518720 OBQZIQNKUISFIZ-PMACEKPBSA-N 417.505 4.558 0 1 HJAF Cc1cc(C)c2c(N)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)oc2n1 587573021 ARKCNBAIAYKCOG-MHECFPHRSA-N 416.433 4.609 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ncccn2)cc1 587589555 YBNGLZBXEWTOPZ-NFBKMPQASA-N 412.401 4.677 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(C(F)(F)F)N1 587706436 QAICKVPPTIOCIM-MGPLVRAMSA-N 403.217 4.518 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)nc2O)N1 587712248 KEMRCVHHJDQSHH-VPTHRUTESA-N 419.216 4.505 0 1 HJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1-c1cccnc1 587752715 FGAVTHNKQQJEER-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF Cc1nccn1-c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587759168 ZGFHXRWVNCXXKT-LRTDBIEQSA-N 414.322 4.880 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C=O 587772764 WGWHXKVQLNNISQ-YBTHPKLGSA-N 401.279 4.585 0 1 HJAF COc1cccc(-c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)on2)c1 587797721 RVOWIFKWHGZPHL-BIBXISHDSA-N 417.278 4.875 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812170 IPVNXSKYJFZUNB-IBNJYYFUSA-N 404.323 4.786 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCOCC2)N1 587837115 ZLQROXGGPQBOGO-SPLOXXLWSA-N 404.323 4.793 0 1 HJAF O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccs1 653767644 QQCKOEVQNPLGAF-UHFFFAOYSA-N 403.492 4.858 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@H]2c3ccsc3CCN2Cc2ccco2)cc1OC 962715027 SSMVHUODNAACON-HSZRJFAPSA-N 421.522 4.896 0 1 HJAF COc1ccccc1CC[C@@]1(c2ccccc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963020292 FFXDNKVVPMFZFN-HRFSGMKKSA-N 412.533 4.625 0 1 HJAF CCCc1nn(C)c2c(NCc3cccc(OC)c3)nc(/C=C/c3ccco3)nc12 1857546648 LRGNPGOTIGWDFX-VAWYXSNFSA-N 403.486 4.700 0 1 HJAF Cc1cccc(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CC1 1857574242 JQWSOVRNMXZNNM-JOCHJYFZSA-N 403.526 4.641 0 1 HJAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@@H](O)C2=O 2356489475 ZLLJYAHSJDPPOJ-ZEQRLZLVSA-N 424.493 4.716 0 1 HJAF Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCN3CCCC3)c2n1 7991825 ZUVKFPDNZSILJU-UHFFFAOYSA-N 412.541 4.510 0 1 HJAF O=c1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cn1CCCN1CCCCC1 13536075 NDYCHXYIBHPXJP-UHFFFAOYSA-N 412.537 4.730 0 1 HJAF COc1ccc(C(=O)O[C@@H]2C[C@]3(O)[C@@H](C(C)C)CC[C@@]3(C)CC=C2C)cc1OC 14956535 FRTKCHBXZYXDGA-ABZSKANCSA-N 402.531 4.773 0 1 HJAF biogenic CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C[C@@H]21 26282584 LOLVHYOCRQVNRM-XEYPJELSSA-N 417.590 4.808 0 1 HJAF Clc1ccccc1[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Br)cc2)O1 28768770 FJJPPVXKHLHLHP-MOPGFXCFSA-N 419.706 4.940 0 1 HJAF CCC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C(/C)I)cc1)N2 34011060 FMZWUJWDVRSFBN-HKWVRAMMSA-N 409.311 4.686 0 1 HJAF C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 40421956 YQWXKWYDLZHJRV-DOTOQJQBSA-N 407.341 4.542 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCC4)CC(=O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 40762178 ZBBZNPAJOIYFLP-VIWCIXJMSA-N 405.538 4.789 0 1 HJAF Cc1nc2c3c(c(C(=O)N4CCCCC4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40934441 QBVQVUQVBYJZSW-AREMUKBSSA-N 415.537 4.744 0 1 HJAF O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)C[C@H](c2ccccc2)CC1 49048261 OUDAEQVANHAUTN-OAQYLSRUSA-N 415.489 4.901 0 1 HJAF O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1cccc(F)c1 72137627 NRXFEGOWLFUGLD-IBGZPJMESA-N 417.889 4.804 0 1 HJAF CN(c1ccccc1)c1nnc([C@@H](O)c2cccc(OCc3ccccc3)c2)s1 82078900 BPJQOBGPIKUELQ-NRFANRHFSA-N 403.507 4.967 0 1 HJAF COc1cc(OC)cc(-c2cccc(Cc3cn(Cc4ccc(F)cc4)c(N)n3)c2)c1 82157600 PYLYSTQPVGQRPS-UHFFFAOYSA-N 417.484 4.928 0 1 HJAF CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184756 NKRRECLGPOAYNK-LJQANCHMSA-N 424.568 4.650 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCc2[nH]cnc2[C@@H]1c1ccc(C(F)(F)F)cc1 84759614 UAOMQZHFICEDBZ-SFHVURJKSA-N 404.367 4.747 0 1 HJAF O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1cc(F)ccc1F 95602632 WMGVUZZBLCYMCB-UHFFFAOYSA-N 420.371 4.768 0 1 HJAF CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1[C@H](C)O 115232115 MZUGRMXWVNJWLA-LBPRGKRZSA-N 411.495 4.589 0 1 HJAF O=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ccc(F)cc2[nH]1 144125564 ZBEVBUDIOUKTQM-UHFFFAOYSA-N 412.218 4.883 0 1 HJAF C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 197970792 UCPOISXDWSVEGI-NPLGKPKZSA-N 422.488 4.954 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4ccc(Br)cc4[nH]3)n2C)cc1 544622184 SHPBOLCBNMCKJY-UHFFFAOYSA-N 414.332 4.722 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 586916201 LEENKQIVPWIWQZ-DJJJIMSYSA-N 403.251 4.681 0 1 HJAF CCOc1cc(/C=C/c2nc3cncc(Cl)c3[nH]2)cc(Br)c1OC 586976835 CCYGBRKPBXLTOS-SNAWJCMRSA-N 408.683 4.952 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)c1cccc(Cl)c1 587071574 OJHZPVVLJQTVPK-GOSISDBHSA-N 415.921 4.560 0 1 HJAF Clc1ccc(-c2nnc(CCc3nc4ccc(Br)cc4[nH]3)o2)cc1 587077377 WFRLICWGLRKPNN-UHFFFAOYSA-N 403.667 4.814 0 1 HJAF O=S(=O)(c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1)C(F)(F)F 587131432 HLPMOALEELESOT-UHFFFAOYSA-N 416.371 4.738 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 587241764 AKWLKSFNHUWCQP-UHFFFAOYSA-N 416.319 4.909 0 1 HJAF Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(S)n1 587375291 MIELGKFPYAXMFN-KNQAVFIVSA-N 410.470 4.501 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCCNC(=O)OC(C)(C)C)(c1ccccc1)[C@@H](C2)C3=O 587427376 DMUKVWPMPWLNSU-DFBJGRDBSA-N 423.509 4.643 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCN4CCC[C@H](C)C4)c1)[C@@H](C2)C3=O 587438522 PRLPXUYTKPIOTC-CGSPVCNISA-N 421.537 4.685 0 1 HJAF CCN1c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C[C@H]1C 587582653 MFRKBSSERDOMBL-YQYBNWHVSA-N 401.462 4.866 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C 587597221 UIDUINSZFDKJAX-QPPBQGQZSA-N 406.434 4.891 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720830 VBLPEQJXFJIRKM-HUTHGQBESA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cn2)N1 587730546 JIJMXBNPHPHNNA-YEJXKQKISA-N 415.281 4.948 0 1 HJAF CC1CCC(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1 587766158 FVTWRENUAGRSEJ-CKDBGZEDSA-N 409.387 4.992 0 1 HJAF COc1ccc(-c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)no2)cc1 587790023 BIPMFLSUKCKMIB-YBTHPKLGSA-N 417.278 4.875 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2ccc(N)cc32)N1 587801456 GQNQSONOBWNTSR-MQJDWESPSA-N 414.322 4.766 0 1 HJAF COc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587805929 IDCWHRPNLSZIGC-FKIZINRSSA-N 408.311 4.685 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 587871991 GIDGHZJVOJHIPH-UHFFFAOYSA-N 418.472 4.638 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1c(C)nn(Cc3ccccc3)c1C)N(C)[C@@H](C)C2 962565614 IBKDHQVEEBAVRH-IVCQMTBJSA-N 405.542 4.531 0 1 HJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(c1ccc(Cl)cc1)c1ncc[nH]1 962719543 VXQNCXGJNRPPIQ-HTAPYJJXSA-N 413.949 4.858 0 1 HJAF COC(=O)[C@@]1(C)CCc2ccccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 963002686 DHFOEZRQYFYRSD-JWQCQUIFSA-N 418.562 4.571 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@]3(CCc4ccc(OCc5ccccc5)cc4C3)c3cccc1c32 963022681 HIQZCETYWYIZIA-DFHRPNOPSA-N 424.544 4.703 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 963289960 SIAVIYIOVWHAIK-QGZVFWFLSA-N 409.368 4.673 0 1 HJAF COc1ccc2c(c1)[C@H](c1cc(F)ccc1C(=O)O)N(Cc1ccc(F)cc1)CC2 963302388 NGEGKYXDCQIZSO-HSZRJFAPSA-N 409.432 4.819 0 1 HJAF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc(F)cc2)c2c(n[nH]c2C)O3)cc1 1772612268 XTCBZQOVSPOKPE-SFHVURJKSA-N 403.417 4.685 0 1 HJAF CC(C)CNc1nccc(=N[C@H]2CCCc3c2[nH]c2ccc(OC(F)(F)F)cc32)[nH]1 1857602324 YZBLQJFNLDXQSX-KRWDZBQOSA-N 419.451 4.836 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@@]23CCCC[C@@H]3C)[nH]c2ccc(Cl)cc12 1911572425 ISIOGXCCKZDFTJ-HGFQGUBDSA-N 405.951 4.645 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@]6(CCC[C@@H]6CCO)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356352095 MLJOFDODJGSSER-VHJCVEOFSA-N 416.602 4.600 0 1 HJAF COc1ccc(C=CC(=O)O[C@@H]2[C@H](C(C)C)CC[C@]3(C)CCC[C@@](C)(O)[C@@H]23)cc1O 2356638060 QKFIDIQJEROXCT-NUTDLNEHSA-N 416.558 4.949 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@@H](C)C=CC=C(C)C)C4=CC=C(C(=O)N1)[C@H]32 2356653290 IEOHVPIKTTWVQR-QCJLKUQASA-N 411.586 4.677 0 1 HJAF CCCCN1C(=O)N[C@H](c2ccc(OC)cc2)C(C(=O)OCc2ccccc2)=C1C 13125812 ZBKYKOTWTFTYST-JOCHJYFZSA-N 408.498 4.579 0 3 HJAF CC1=C(Cc2cc(CO)cc(O)c2OS(=O)(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 14710110 ILWBTSYVQZWXFP-DENIHFKCSA-N 424.559 4.552 0 1 HJAF biogenic CS(=O)(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2 26176652 WFSBONJXUAXVJH-HXUWFJFHSA-N 417.433 4.808 0 1 HJAF COc1cc(OC)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2cccc[n+]21 27109681 JGWSSKJXZVVXRZ-URXFXBBRSA-N 400.454 4.602 0 1 HJAF CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N=C(c2ccccc2F)c2ccccc21 28236043 WJEIRFDFZCCLMQ-JOCHJYFZSA-N 411.480 4.743 0 1 HJAF O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1 28339592 ZTUUNTGQZJTSDK-OCZCAGDBSA-N 402.368 4.527 0 1 HJAF CN(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 28759156 OKVPDEXTEJGPIM-OSCNMVDOSA-N 406.570 4.563 0 1 HJAF CC1(C)CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCCO 36093070 LYDWOPLSIWWSOT-FYYLOGMGSA-N 416.968 4.834 0 1 HJAF C[C@H]1CCC[C@H](C)N1Cc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66259183 IUALIHPRDXWTSS-PSVSLLHZSA-N 403.828 4.894 0 1 HJAF CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178727 XJWFDEPVOHQMPT-LJQANCHMSA-N 406.578 4.511 0 1 HJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1 84732203 CAVYZTGDCNYJTP-UHFFFAOYSA-N 402.885 4.917 0 1 HJAF COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(N(C)C)cc1 96177210 XNOYSEZNLJXOGH-NRFANRHFSA-N 404.514 4.532 0 1 HJAF O=C(Nc1nc(-c2ccc(O)cc2)c(Cc2ccccc2)s1)c1ccc(O)c(O)c1 115802717 JQFVOJJYNKKRCP-UHFFFAOYSA-N 418.474 4.770 0 1 HJAF Cc1cc2ccccc2nc1N[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 146560826 BVJDGKQCWAYVEZ-QFIPXVFZSA-N 419.525 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Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Cl)cc3)cc2c1 895604 DCLUCEXWKHWPEW-UHFFFAOYSA-N 406.869 4.926 0 1 HJAF COc1cc2nc(-c3ccc4c(c3)[C@H](N(C)C)CCO4)cc(O)c2cc1-c1cnco1 13487607 YFEFNIMXDWAUJM-HXUWFJFHSA-N 417.465 4.656 0 1 HJAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)C(F)(F)F)nc2n1 27331509 PQXVCVXLJZTYQR-UHFFFAOYSA-N 401.175 4.808 0 1 HJAF O=C1N(Cc2ccccc2)c2cc(Cl)sc2S(=O)(=O)N1Cc1ccccc1 27410028 ZEAHGWRHZFIIBX-UHFFFAOYSA-N 418.927 4.733 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 27557632 IMOYQSALPFSZJN-LEJLCDCBSA-N 402.506 4.985 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(F)cc4)cn3)[C@H]12 34802887 GAKYUXSGSASOMV-FPBUVAPXSA-N 421.512 4.876 0 1 HJAF c1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)cc1 40395485 UKIOQJUWIVTNNP-UHFFFAOYSA-N 405.505 4.900 0 1 HJAF COC1=C[C@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45245462 FDWHRNRDGMYDCB-YWMUFLPLSA-N 403.448 4.628 0 1 HJAF CS(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 66111481 FRZBNIHVXARHST-UHFFFAOYSA-N 405.475 4.957 0 1 HJAF CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2C[C@@H]1CCCO1 82186738 RAXULERQUIUGFB-QUCCMNQESA-N 407.562 4.954 0 1 HJAF CCCC[C@H](Nc1nc(-c2cccc(OC)c2)cs1)C(=O)NCCCOC(C)C 82195636 DMBDKKBNAAEZRN-IBGZPJMESA-N 419.591 4.721 0 1 HJAF COCCNc1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 84729958 ZVZFTYYVWSBSKQ-UHFFFAOYSA-N 410.514 4.741 0 1 HJAF COc1cc(OC)c2c(c1)[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2cccc[n+]21 100722083 JGWSSKJXZVVXRZ-XUZZJYLKSA-N 400.454 4.602 0 1 HJAF Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CCN(c2cnccn2)CC1 169304727 LLCXQBXMQPAQFY-UHFFFAOYSA-N 402.546 4.694 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)NCc1ccccc1 169720783 LQXPLQZAVHAHQZ-VQTJNVASSA-N 413.308 4.818 0 1 HJAF Oc1nc(CCc2ccccc2)cc(Oc2ccccc2)c1I 299821824 KXJPMUMYSPAQOI-UHFFFAOYSA-N 417.246 4.969 0 1 HJAF FC(F)(F)Oc1ccc(CNc2nc(NCC3CC3)cc(-c3ccccn3)n2)cc1 299833766 INMKYWPKBFAKSH-UHFFFAOYSA-N 415.419 4.871 0 1 HJAF Cc1cc(F)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961786 SWKXKRYCMZUIQU-YSGRDPCXSA-N 413.518 4.705 0 1 HJAF COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F 587024553 BHWVKQJWUSTHPI-KYNGSXCRSA-N 413.518 4.847 0 1 HJAF O=C(O)c1c[nH]c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2c1=O 587106041 LDNCIUAPGQIQMT-UHFFFAOYSA-N 418.408 4.653 0 1 HJAF CCS(=O)(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196309 QGKBYSUBTZBPBY-UHFFFAOYSA-N 405.523 4.563 0 1 HJAF COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)ccc1Cl 587377807 ZLYGGMIQSGQAFO-FQEVSTJZSA-N 411.841 4.984 0 1 HJAF COc1cccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c1 587399585 LAIGCPJGBAGUQT-QHCPKHFHSA-N 419.477 4.880 0 1 HJAF Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587551806 JXKPUKAYYGDGNF-CVDCTZTESA-N 420.852 4.809 0 1 HJAF COc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c12 587578553 RFJDMGFMMFBSGF-YKSBVNFPSA-N 401.418 4.595 0 1 HJAF CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3c(C(=O)O)cccc23)CC1 587638700 IXRWEYWAWQIYFK-UHFFFAOYSA-N 402.498 4.545 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(F)c(F)c2F)N1 587722138 RDSWRHDPOFXNJY-IWEMQMMOSA-N 406.192 4.942 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3F)c2)N1 587726862 LUEAIXSJDJQMPY-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c(-c3ccccc3)n2)N1 587754841 NCYHHQHAIALTQD-HXPMCKFVSA-N 400.295 4.612 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c3ncccc23)N1 587776469 CYBOOLJBFDCBNJ-GIPWTMENSA-N 401.279 4.640 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC21CCOCC1 587835270 OPQZBVKGIIUVJQ-JLCFBVMHSA-N 416.334 4.719 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)s2)N1 587854995 SRZFYYVJZSCYJL-WJWGPLDTSA-N 420.145 4.605 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 587929391 IQAMRVFRZHBNQT-RBZFPXEDSA-N 415.287 4.566 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc(F)c(F)c2)n1 653681032 KRJKROJCXALJBT-ZDUSSCGKSA-N 418.451 4.943 0 1 HJAF Cc1cc2c(cc1O)[C@H](c1ccccc1SCc1ccccc1)N[C@H](C(=O)O)C2 963469897 LMAJUDYWHKUOIX-REWPJTCUSA-N 405.519 4.681 0 1 HJAF Cc1ccc(S(=O)(=O)n2cc([C@H]3CN=C(C4CCCCC4)N3)c3ccccc32)cc1 1857592922 KKQFKCJSCMWRET-JOCHJYFZSA-N 421.566 4.810 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)CC[C@H]2Cc3occ(C)c3C[C@@]21C 2356677177 KBUUBOOGAZPPCR-BWWCKNBVSA-N 402.531 4.939 0 1 HJAF CCC(CC)[C@@H](C(=O)NC1CCCC1)N1CCN(c2cc(C)nc3ccccc23)CC1 95571440 FSMXQXIGJXVPDN-VWLOTQADSA-N 422.617 4.529 0 3 HJAF O=C(N[C@H](Cc1ccccc1)[C@H](O)c1nc2ccccc2[nH]1)c1cccc2ccccc12 206054462 UXEXAHOIDFRDDR-RPBOFIJWSA-N 421.500 4.791 0 3 HJAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2478293 NKXRTSZNQPIVLL-UHFFFAOYSA-N 406.816 4.707 0 1 HJAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 2489345 XCMJIEKFXCBONW-QHCPKHFHSA-N 422.569 4.769 0 1 HJAF COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCCN1CCCCC1 3987585 IRBQSIACRBGJRT-UHFFFAOYSA-N 422.550 4.935 0 1 HJAF O=C(c1ccccc1)c1cc(Cl)ccc1OCC(=O)N1CCc2ccccc2C1 6578848 VOPBCQVAHCZHRV-UHFFFAOYSA-N 405.881 4.535 0 1 HJAF CCCCCNC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801296 FZSXHRMZIAUGIF-LYZOWHQXSA-N 402.623 4.772 0 1 HJAF CCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 43208720 BWXIPDFABPPPPW-CXAGYDPISA-N 417.538 4.916 0 1 HJAF COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccc(C)c3)cc2c1 66258708 FLPPSTUKBVXUNR-UHFFFAOYSA-N 418.518 4.749 0 1 HJAF CC(C)[C@H]1C(=O)N[C@@H](c2ccccc2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C 95664480 VBTCZVOMCIVAGU-PCLTZNPOSA-N 420.553 4.758 0 1 HJAF CC(C)(C)c1ccc(O)c([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)c1 96937521 WKHNBRHNWREYOB-XMMPIXPASA-N 409.432 4.960 0 1 HJAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)cc(OC)c1 100101745 TYXVXPOSHXZWQS-UQWUFBTJSA-N 414.549 4.619 0 1 HJAF NC(=O)c1ccc2[nH]c(-c3ccc([C@H](O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 116027139 QXEILDOJDHCHNC-IBGZPJMESA-N 412.276 4.717 0 1 HJAF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ncccc4[nH]3)cc2)c(C)c1C 586950171 BDKFKMLMFVMFRW-UHFFFAOYSA-N 420.538 4.968 0 1 HJAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(N)=O)c2[nH]1 586982740 PITFCVIPRDBUOA-AWEZNQCLSA-N 400.320 4.797 0 1 HJAF Fc1c(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1F 587076877 YESAHKYBYRYTFB-UHFFFAOYSA-N 410.609 4.505 0 1 HJAF Nc1ccc(-c2ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1N 587077044 QZGZZCJIJLBYGR-OAQYLSRUSA-N 403.873 4.665 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085727 DIAHHFVDRDYNFU-UHFFFAOYSA-N 414.918 4.510 0 1 HJAF C[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130945 ZRTLWWGJTHBMEY-FPHPLZIGSA-N 404.755 4.621 0 1 HJAF O=S(=O)(Nc1ccsc1-c1nc2cc(F)cc(F)c2[nH]1)c1ccc(F)cc1 587170122 JFOXQFBBIUVEJM-UHFFFAOYSA-N 409.414 4.510 0 1 HJAF CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587226322 ACESGRWKNGCBBJ-UHFFFAOYSA-N 408.683 4.621 0 1 HJAF COc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354257 ANVXBNJTXVSIAZ-URXFXBBRSA-N 406.409 4.577 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587420505 IJUNPGVULSBJHP-CYFREDJKSA-N 420.848 4.738 0 1 HJAF O=C(O)CCC1=COc2cc(F)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504126 FWBHMMNRKZRMJW-DEOSSOPVSA-N 408.425 4.706 0 1 HJAF C/C(=C\[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587569098 FBRCJBQWPKUKKZ-MVUBNERYSA-N 401.462 4.715 0 1 HJAF Cc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587574618 XYYREWSSHKILGN-PDFVGYMYSA-N 401.462 4.633 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581916 JRGMFAHBZKCICE-XZLZDHACSA-N 415.489 4.635 0 1 HJAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)nc1 587588256 QICWBICFIMTJPV-JYFHCDHNSA-N 423.424 4.970 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2ccccc2)nn1 587655855 BYDVXTSBMQPTRW-UHFFFAOYSA-N 412.399 4.788 0 1 HJAF CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587694166 OOPYVAKJOFFWDU-VVVCHXIZSA-N 414.702 4.970 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2c(Cl)ncnc2Cl)N1 587705678 NUKIAJRKWVVSIA-WRWORJQWSA-N 405.098 4.503 0 1 HJAF Cc1cccnc1C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707005 RXQHFLWEFWEJPZ-DIFFPNOSSA-N 417.244 4.826 0 1 HJAF Cc1ccccc1-n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762172 DPZCTXODPGGSRT-SZNDQCEHSA-N 414.322 4.880 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587770878 RSMMTGDRVMDRLC-NSPYISDASA-N 401.279 4.585 0 1 HJAF COc1cccc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 587776509 DKLAYVFGSLEPKR-GIPWTMENSA-N 401.279 4.769 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc3c(c2)OCCO3)N1 587833607 GSIWKYOCUBYROZ-BLLLJJGKSA-N 406.295 4.568 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C(F)(F)F)nc1 587860642 BBNNIUPDTACIHA-UHFFFAOYSA-N 415.293 4.680 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1C 587867642 LWFATZXQYRWMMT-AWEZNQCLSA-N 419.403 4.697 0 1 HJAF Fc1ccc(N2CCC3(CC2)c2cccc(F)c2CCN3[C@@H]2CCSC2)cc1F 962720514 ULQABNDEEHCWRS-QGZVFWFLSA-N 418.528 4.963 0 1 HJAF Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729850 KBZNAQXKZUVLPF-FXAWDEMLSA-N 424.850 4.538 0 1 HJAF COc1ccc(F)c([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962954995 LPDUTLBFZLIIOG-FQEVSTJZSA-N 409.423 4.768 0 1 HJAF O=Cc1ccc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 1857646552 FFIYGSPFXYFMHU-RZDIXWSQSA-N 422.403 4.909 0 1 HJAF O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1)c1cccc(Cl)c1 1911581220 MFKLGMRXGXACFK-UHFFFAOYSA-N 424.859 4.638 0 1 HJAF COCc1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)ccc1OC 13636873 GONGUWIPMZMDIC-SFHVURJKSA-N 421.459 4.955 0 3 HJAF COc1cc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc(OC)c1OC 1492325 QZNAGOWOUWHEEI-UHFFFAOYSA-N 403.442 4.538 0 1 HJAF O=[S@](CCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1 4617924 JDVWDZJXQUCOPW-LJAQVGFWSA-N 405.498 4.949 0 1 HJAF Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc12 4757673 YFQJDEQXUXGNGA-QHCPKHFHSA-N 417.509 4.558 0 1 HJAF 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4.892 0 1 HJAF CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OC(C)C)c1OC(C)C 116230354 KDWXHHXNLVCLSQ-UHFFFAOYSA-N 415.486 4.999 0 1 HJAF Cc1ccc2ncc(N[C@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1 146508322 QRKSJRJLTHRHMS-HSZRJFAPSA-N 419.525 4.947 0 1 HJAF CCC(=O)Nc1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1 169343306 ZJIBNNKKSHQVFB-UHFFFAOYSA-N 403.434 4.543 0 1 HJAF CC[C@@H]1C(=O)CC[C@@]2(C)C1=NC[C@@H]1[C@@H]3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CC[C@@H]12 169714061 QQQFEBCXAWYYGC-IHENWXMVSA-N 400.607 4.764 0 1 HJAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCCCC3)cc2)n1 203004619 KDZHYPRQEGDZIZ-UHFFFAOYSA-N 417.561 4.901 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(C)cc(C)c3[nH]1)C(=O)OC2 586915732 QWNZTRVNJNUTHP-AWNIVKPZSA-N 420.509 4.994 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2c1 587162327 VNIZIUYJKZABQJ-UONOGXRCSA-N 403.251 4.912 0 1 HJAF O=C(O)c1csc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370466 BRNSDCRFFCRROW-AUSIDOKSSA-N 424.449 4.882 0 1 HJAF 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BBCQDKOVDIEREV-UHFFFAOYSA-N 413.481 4.581 0 1 HJAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2C[C@H]1N1CCCC1 27768073 GDNHVKOUCZXSBE-FGZHOGPDSA-N 417.380 4.626 0 1 HJAF CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCNCC2)c1 59278012 RHZXGXCZSQHCQL-NRFANRHFSA-N 420.475 4.996 0 1 HJAF CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(F)cc2)n1 82141721 KFOXBJGETGJIIN-UHFFFAOYSA-N 406.505 4.790 0 1 HJAF CCC(CC)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82185998 RSONBUWTQCUYLG-UHFFFAOYSA-N 424.568 4.967 0 1 HJAF COCCn1c(CC(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189764 BXAUTECQADADSC-UHFFFAOYSA-N 422.360 4.633 0 1 HJAF CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(NC(C)=O)cc2)cs1 82193765 QPXQQFBZYXDADI-MRXNPFEDSA-N 402.564 4.513 0 1 HJAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(C(C)C)cc(=O)oc2c1 103179737 NBYJBVJOTDSHCU-KGENOOAVSA-N 408.450 4.656 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1 103289920 IEQFSNFNURWUPF-OAHLLOKOSA-N 409.158 4.693 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncccc3Cl)cc21 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Cc1ccc(C)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587827603 LCZZVHCWGPGOPH-SPLOXXLWSA-N 420.322 4.848 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1 587860854 HADZMHNPOXMMOX-GFCCVEGCSA-N 408.351 4.824 0 1 HJAF Nc1nccn2c(-c3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cnc12 653706051 XBNMZPCLNATBPN-UHFFFAOYSA-N 412.375 4.641 0 1 HJAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(F)cc1Br 962641532 SOUJAUKJTMEMMA-NSPYISDASA-N 424.310 4.580 0 1 HJAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962703937 NXPHLPLGMCSPMP-HTAPYJJXSA-N 419.949 4.649 0 1 HJAF COc1cccc2cc3c(nc12)C1(CCN(c2ccc(C)c(Cl)c2)CC1)NCC3 963061881 VWXXVJJKZVFNJS-UHFFFAOYSA-N 407.945 4.847 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc3ccc(F)cc3[nH]2)N1 963171732 BVHXEXNYXHBCCG-DLBZAZTESA-N 412.770 4.668 0 1 HJAF Oc1c(-c2nnc(-c3ccc(Cl)cc3)o2)cnc2ncc(-c3cccnc3)cc12 1857539252 WPDMIYBMILETLT-UHFFFAOYSA-N 401.813 4.768 0 1 HJAF O=C(O)c1cc(NC(=O)c2ccc(F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857551598 CHJFBODXWLUKRG-UHFFFAOYSA-N 418.468 4.910 0 1 HJAF Cc1ccccc1[C@@H]1SCC(=O)N1NC(=O)Nc1nc2ccc(Cl)cc2s1 1857612618 MITPBGISQDFYGK-INIZCTEOSA-N 418.931 4.569 0 1 HJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC[C@H]([C@H]4COC(=O)C4)[C@@]3(C)CC[C@H]21 2356506884 LZEIPUNOEUQFEG-LDBZJBPASA-N 414.586 4.695 0 1 HJAF COc1cc(OC)c(-c2ccc(OC)c3c(OC)cc(C)cc23)c2c1CN[C@H](C)C2 2356559612 FSHBEGRPPCFVBJ-OAHLLOKOSA-N 407.510 4.884 0 1 HJAF NC1=NC[C@H](c2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662134 OZEUINYTNRPMMX-MRXNPFEDSA-N 401.354 4.638 0 3 HJAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccccc3SC)c2)cc1OC 205226633 YLJQTXWHBMLELY-UHFFFAOYSA-N 411.527 4.663 0 3 HJAF COc1cc2nc(-c3ccc4c(c3)CC[C@H]4N(C)C)cc(O)c2cc1-c1cnco1 13487624 FUFKWNOESYQTTD-OAQYLSRUSA-N 401.466 4.820 0 1 HJAF COc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc2c1CCC(F)(F)[C@H]2O 40829402 CVPMXNANIVBHTH-SFHVURJKSA-N 406.816 4.697 0 1 HJAF C[C@H]1OC(=O)[C@H]2[C@H]1[C@@H](O)C[C@@H]1[C@]2(C)[C@H](O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C 44093746 BOVSVCDCMFPWKD-HVTUURJGSA-N 418.618 4.565 0 1 HJAF COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc1 72125035 CLZJIKHCALITLZ-UHFFFAOYSA-N 405.479 4.523 0 1 HJAF COc1cc(CNc2cc(Oc3cccc(Cl)c3)ncn2)cc(OC)c1OC 82067479 UQWXISLQBLEJJL-UHFFFAOYSA-N 401.850 4.560 0 1 HJAF COc1cc2nc(N3CCC(C)CC3)nc(NCCCc3ccccc3)c2cc1OC 82131176 BBIXXRTUUZBBFN-UHFFFAOYSA-N 420.557 4.928 0 1 HJAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2F)cs1 82195354 OSECEEXTFNGSSP-INIZCTEOSA-N 413.559 4.928 0 1 HJAF O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100101477 ZEODWUKPPFZFMB-JKHIJQBDSA-N 405.448 4.604 0 1 HJAF CCC1(CC)C[C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O 103202855 GKRYVZUPOJHWIG-QHCPKHFHSA-N 406.570 4.516 0 1 HJAF Cc1ccc([C@H]2c3n[nH]c(=O)c4cccc(c34)N[C@H]2c2ccc(CN(C)C)cc2)cc1 118617125 GVSORFPHFXQBDJ-VWNXMTODSA-N 410.521 4.592 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncccc2Cl)CC1 141075148 VWPACZUSCZWKKR-UHFFFAOYSA-N 402.779 4.642 0 1 HJAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 166851374 WQXMHQDZFSMJQA-LJQANCHMSA-N 423.538 4.785 0 1 HJAF Nc1nc(-c2ccc(C(F)(F)F)cc2)nc2sc(CN3CCC(F)CC3)cc12 169321255 CEDCRUAELANTLC-UHFFFAOYSA-N 410.440 4.893 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(Cc4ccncc4)C3)cc12 226060398 XMILWBOGDGUNKI-QGZVFWFLSA-N 402.473 4.762 0 1 HJAF C[C@@H]1CC[C@@]2(C[C@@H]3[C@@H](O2)[C@@H](O)[C@H]2[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1 255259320 PJBFBXXRUPKPJC-PZMKKPJZSA-N 418.618 4.519 0 1 HJAF COc1ccc2c(c1OC)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993714 ZKEDCRYWKJWOJI-UHFFFAOYSA-N 409.441 4.935 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 586995375 FTLUGPNIWVRNDM-UHFFFAOYSA-N 403.276 4.801 0 1 HJAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(N)ncnc2[nH]1 587018766 OHVOIIRUPYNDBW-UHFFFAOYSA-N 405.314 4.691 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(F)c(F)c3[nH]1)N2 587031166 LXOSKNQZVFJHER-TZZQWBKVSA-N 406.483 4.968 0 1 HJAF CC1=C(c2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1 587049497 MBHNLNICRCXWCG-STQMWFEESA-N 413.308 4.896 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncc(OC)c4[nH]3)c(Cl)cc12 587077899 BRUCONQSGOPPSL-NSHDSACASA-N 413.861 4.819 0 1 HJAF FC(F)(F)c1cc(-c2nc3cncc(Br)c3[nH]2)c(Br)cn1 587114740 GPUFGQTYJBXHRQ-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF Nc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2ccccc2n1 587254438 TZOYLJGLWVVTIM-UHFFFAOYSA-N 407.193 5.142 0 1 HJAF COc1ccc2c(c1Cl)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551684 IKCHIVJJGZXDOV-XXBNENTESA-N 408.837 4.858 0 1 HJAF CC(=O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576597 JOOGOSCYFYQAGA-RDGATRHJSA-N 413.429 4.884 0 1 HJAF C[C@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583214 QZNXUGXTWOJCCM-WZONZLPQSA-N 415.489 4.950 0 1 HJAF Cn1nc(-c2cccs2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611881 KKGYVYMJRJSGFR-SIKLNZKXSA-N 404.447 4.557 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc3c2OCOC3)N1 587695119 IGGYDKOVPGBPBY-HUTHGQBESA-N 412.686 4.732 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587705417 MMPHKCZMAQGGBX-ABKXIKBNSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)c(F)c2)N1 587714829 GXSBJLLABLXMAL-ZKANADHPSA-N 404.201 4.952 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587719052 KDQALDRYQPHICS-YYSFKGJASA-N 422.248 4.880 0 1 HJAF C[C@@H]1CCC[C@H](N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)C1 587765926 FEFSQCXWMCBEBK-INMHGKMJSA-N 409.387 4.992 0 1 HJAF COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 618016993 QNYOQSLONXSEGE-LUXPHIFBSA-N 413.480 4.883 0 1 HJAF COc1cc2c(cc1OC)[C@](c1cc(C)ccn1)(c1ccccc1OC)N(C)[C@H](C)C2 962616641 BLGMXILKICOSSP-DWXRJYCRSA-N 418.537 4.584 0 1 HJAF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2C(=O)c2cc(C)c(C)cc21 963047407 PLTRLXXLSCXSPJ-MUUNZHRXSA-N 420.512 4.842 0 1 HJAF O=S(=O)(Cc1ccccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21)c1ccccc1 963096367 NCXDWQFFJGATLE-SQJMNOBHSA-N 421.537 4.910 0 1 HJAF CCc1ccc(OCc2cc([C@@H]3NCCc4c(C(=O)O)cccc43)ccc2OC)cc1 963129955 HMINMLUNFXORTA-VWLOTQADSA-N 417.505 4.770 0 1 HJAF O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 1857613110 WJAZEJBEXRUXAC-UHFFFAOYSA-N 403.459 4.860 0 1 HJAF COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC 1857646597 SIOOQAQHGMCZBA-UHFFFAOYSA-N 404.510 4.517 0 1 HJAF CC(=CCO)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](OC(=O)CCC(=O)O)C[C@@]12C 2356442475 DHBPVKBZOWIHTC-FIXDAVPBSA-N 406.563 4.891 0 1 HJAF CO[C@@H]1OC(=O)C2=C[C@H](OC(=O)C=Cc3ccccc3)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]21 2356456537 IJBOCWFTWIQMQW-MQWDPPDWSA-N 410.510 4.530 0 1 HJAF CC1(C)C=Cc2cc([C@H]3COc4c5c(cc(O)c4C3=O)OC(C)(C)C=C5)c(O)cc2O1 2356804487 XZXMEYSQXQNHCX-MRXNPFEDSA-N 420.461 4.825 0 1 HJAF C[C@@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3nc(=S)n2[nH]1 104053104 CJLNRHAQVCPVDK-SNVBAGLBSA-N 401.289 4.843 0 3 HJAF COc1ccc(C)cc1NC(=O)CSc1nc2cccnc2n1C1CCCCC1 6812923 MLCPHXCXBAZJPC-UHFFFAOYSA-N 410.543 4.984 0 1 HJAF Cc1nc([C@@H](C)NC2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)cs1 11963820 JTWNWDFXLOCQNH-MRXNPFEDSA-N 412.603 4.900 0 1 HJAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(c1)[C@@H](C(=O)O)c1ccccc1-2 26490913 UBGNLYRPBRRHSE-NRFANRHFSA-N 408.885 4.937 0 1 HJAF O=C1NC(=O)[C@@H](Cc2ccc(OCCc3csc(C4CCCCC4)n3)cc2)S1 26577269 BXIMHZRLXGYKGR-GOSISDBHSA-N 416.568 4.706 0 1 HJAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccc(Cl)c1 27108594 QHSFLCTVKHPRPP-KRWDZBQOSA-N 409.979 4.529 0 1 HJAF COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3o2)CC1 40402811 MXRBKBQWTLOBGQ-UHFFFAOYSA-N 417.962 4.794 0 1 HJAF in-vitro C[C@H](c1cccc(C(F)(F)F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O 43009456 GFLAXMWGVQJOMI-MRXNPFEDSA-N 403.448 4.520 0 1 HJAF CO[C@@H]1OC[C@H]2[C@@H](O)C[C@@H]3[C@@](C)([C@H]21)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]31C 49802792 PROADJNCLZGCAJ-QFQKVYGUSA-N 420.634 4.622 0 1 HJAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCNC1)c1ccc2cnccc2c1 72178904 REUCABNHPPJJRD-XLIONFOSSA-N 400.309 4.622 0 1 HJAF Brc1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1 73197676 DDPGJLOIIALFJV-UHFFFAOYSA-N 403.330 4.932 0 1 HJAF Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3cccc4onc(N)c34)cc2)cc1 84669738 CLQXYPGRKPDTES-UHFFFAOYSA-N 401.426 4.615 0 1 HJAF COc1ccc([C@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC 86043470 FUFHSLKNBJRCDG-PXZGAOKCSA-N 402.487 4.814 0 1 HJAF CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95573964 RUDHTCBFHFLADY-JOCHJYFZSA-N 404.982 4.767 0 1 HJAF CC(C)c1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 95578673 NVAPTGCRXPIJOZ-UHFFFAOYSA-N 400.522 4.526 0 1 HJAF COc1ccc(Cn2cc(C(=O)Nc3ccccc3)c(=O)c3c(F)ccc(F)c32)cc1 96906845 VVUTWIZAGGIWLT-UHFFFAOYSA-N 420.415 4.589 0 1 HJAF O=C1c2ccccc2C(=O)c2c1cc(NCc1ccc(Cl)cc1)c1nsnc21 219748660 HMUFHMYCMRCQJX-UHFFFAOYSA-N 405.866 4.732 0 1 HJAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(C(F)(F)F)n3)c2F)cn1 224562023 VPIUNAJVIUIADA-UHFFFAOYSA-N 405.355 4.734 0 1 HJAF O=C(O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(OCCc2ccccc2)c1 299819081 BCZWIDQQZSVGIZ-NTCAYCPXSA-N 416.473 4.944 0 1 HJAF O=C(Nc1ccc(F)c(F)c1)Nc1cc([C@@H]2CC2(F)F)nn1Cc1ccccc1 299830364 WJKIQMLMTOSNHN-AWEZNQCLSA-N 404.367 4.976 0 1 HJAF O=C1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F 587147828 BSSNYXUALHQAKF-JTQLQIEISA-N 413.321 4.515 0 1 HJAF C[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C=C(c2ccccc2F)NO1 587156641 OOXSZIUSFMYHHT-MRXNPFEDSA-N 414.309 4.542 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 587167078 HHQPLWZYBIXJPB-AWEZNQCLSA-N 421.245 4.973 0 1 HJAF COc1ccc2c(c1I)CCc1c-2nc2cccc3c2c1CC3 587213412 REIQYBXBAIHWTR-UHFFFAOYSA-N 413.258 4.712 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)cc1O 587345893 ACIYKLNHAVCKGQ-LADGPHEKSA-N 424.424 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)CC2=O 587459522 DXGGUDJGBCCHHS-MCMMXHMISA-N 402.874 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1c[nH]c3ccc(Cl)cc13)CC2=O 587460084 FWQLQWQQWFFXTM-QFIPXVFZSA-N 413.857 4.513 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OCC)c(F)c1)CC2=O 587465649 GPVRLMSLUCWJSB-HSZRJFAPSA-N 416.445 4.608 0 1 HJAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]c1Br 587539574 FINRTSKXUFYTKF-UZLBHIALSA-N 414.255 4.668 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1ccc(Br)cc1C2 587545447 MJMUHMIGJYSJPG-KNQAVFIVSA-N 423.262 4.654 0 1 HJAF CCc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587580785 DPOMARQVMNBPKA-QHCPKHFHSA-N 415.489 4.955 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2Br)N1 587682562 ZSWVHCPOADKTPY-VPTHRUTESA-N 415.100 4.680 0 1 HJAF Cc1c(Br)cncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587683639 OGLVRABTSCWQBB-PWJLMRLQSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3ccccc3oc2=O)N1 587704855 KQVLILTZVJHVQC-NIVTXAMTSA-N 422.681 4.972 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587719611 LJWNVMKKDWTBAQ-XYZCENFISA-N 414.221 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c(F)cc(F)cc32)N1 587737998 JDZUXDMKBPNXBS-GIGQVBGESA-N 412.249 4.817 0 1 HJAF Cc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587773111 IBUSWVNJYCKESM-XCLFUZPHSA-N 412.306 4.977 0 1 HJAF CC[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804912 DJURAOQSISHWEI-FKIZINRSSA-N 408.311 4.793 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1 587833363 GELOSBURUCCRIW-HTGLOVNISA-N 406.295 4.771 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC)cc1OC 587859278 UWWQFRCLVSQDLI-UHFFFAOYSA-N 421.280 4.961 0 1 HJAF C[C@]1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21 653878457 BPDCKUXKVHRNED-IAGOWNOFSA-N 405.338 4.634 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCCN1CCCC[C@H]12 961748843 JKIBGUIZTBBUBM-OFVILXPXSA-N 411.590 4.682 0 1 HJAF COc1cc2c(cc1OC)[C@](C[C@H](C)CC(=O)O)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962575020 VHCYIKQBPWTAJB-UZEJHQAJSA-N 411.542 4.633 0 1 HJAF Cc1cc2[nH]c(-c3ccc(Cn4nc(C)c(CC(=O)O)c4C)cc3)nc2cc1Cl 1772656359 WCNOMGAMSGDFPJ-UHFFFAOYSA-N 408.889 4.680 0 1 HJAF O=C(Nc1ccccc1)C(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12 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COc1cc2c3c(c1OCC1CCCC1)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72117143 GPVQADYWJXCXQW-IBGZPJMESA-N 407.510 4.745 0 1 HJAF CC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1 72126143 KHVAKOBVDHZLCJ-UHFFFAOYSA-N 409.436 4.516 0 1 HJAF CCCN(CCC)C[C@@H](O)COc1ccc(F)cc1C(=O)CCc1ccc(F)cc1 73195923 XPLMPTCLEONVEL-OAQYLSRUSA-N 419.512 4.642 0 1 HJAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCC2CCCCC2)co1 82073498 FINAQHYFUCRFQX-OAQYLSRUSA-N 410.514 4.768 0 1 HJAF COc1cc(OC)c(C2=NN[C@H](c3ccc4c(c3)c3ccccc3n4C)C2)c(OC)c1 84728068 NXPDNUXBELMWGA-IBGZPJMESA-N 415.493 4.796 0 1 HJAF COc1ccc(Cn2cncc2CNc2ccc(F)c(-c3ccccc3)c2)c(N)c1 85679178 AJNZFRAZZAUAIE-UHFFFAOYSA-N 402.473 4.940 0 1 HJAF C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CC[C@@H]3O[C@]3(C)[C@]12C 85841684 CSSGXDLJYUSHNP-MBTZQKRBSA-N 416.558 4.748 0 1 HJAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Br)cc2)c1 95577773 SIPNKDSZUJEFRI-UHFFFAOYSA-N 411.299 4.913 0 1 HJAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1 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C[C@]1(c2cc(Cl)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550416 AJXLOSCURMEOHP-OXQOHEQNSA-N 402.233 4.971 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587610157 PIUWTRCXUWAQAL-GBXCKJPGSA-N 402.402 4.641 0 1 HJAF Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587680722 PUXSYWZNXNFPNV-RFAUZJTJSA-N 414.116 4.678 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2sccc2s1 587869131 AFPUBRUVDLQIAN-UHFFFAOYSA-N 409.414 4.937 0 1 HJAF COc1ccc2c(c1)[C@](c1ccccc1)([C@H](C)C(=O)C(F)(F)F)N(C(C)C)CC2 962095448 YTCSMNANXOJXSW-OPAMFIHVSA-N 405.460 4.973 0 1 HJAF COc1ccccc1-c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963220813 FOKGLVCGKMCSEO-ILBGXUMGSA-N 410.473 4.599 0 1 HJAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cccc(O[C@H](C)CC)c3)C2)cc1 1772583576 UQWBCRYRZIXXCQ-KHCICDEESA-N 410.558 4.761 0 1 HJAF Clc1ccc(COc2cncc(-c3cnn(C4CCNCC4)c3)c2)c(Cl)c1 1857774116 LOPCFFAGWFBADQ-UHFFFAOYSA-N 403.313 4.755 0 1 HJAF O=C(Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1)c1ccc(F)cc1 1911580544 SXLZQWYOEDRHRN-UHFFFAOYSA-N 406.310 4.887 0 1 HJAF COC(=O)C[C@@H](C)CCC=C(C)CCC=C(CCC=C(C)C(=O)OC)C(=O)OC 2356532650 SEJZXIDGSAPMBO-SFHVURJKSA-N 408.535 4.691 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](C=COC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)C[C@H]2O 2356594559 DOUGJCUAIIVOOP-MTQWNXOMSA-N 416.558 4.818 0 1 HJAF CCC(CC)c1cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCC2CC2)nc(-c2ccncc2)n1 2356852696 QSPFCQDIAKPJTJ-RJGXRXQPSA-N 419.617 4.620 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)C[C@H](O)C(F)(F)F)CC[C@H]12 3954004 JVSPILBDVWXPBS-BTPGBKMESA-N 416.524 4.889 0 3 HJAF C[C@H](NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nccs1 12092160 VTIIPFFHKWRFKU-HNNXBMFYSA-N 404.495 4.670 0 3 HJAF Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(CN(O)C(N)=O)cc1 836107 WETWFADRYZEZBS-UHFFFAOYSA-N 421.375 4.518 0 1 HJAF Cc1cc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2cc1C 4032764 XSSXXYXXKNCIQE-UHFFFAOYSA-N 422.956 4.969 0 1 HJAF CCc1ccccc1NC(=O)c1ccc2c(SCC(=O)O)c3c(nc2c1)CCC3 6738838 LSYCPDPYLMAFEY-UHFFFAOYSA-N 406.507 4.715 0 1 HJAF C[C@@H](Nc1nccc(-c2c(-c3ccccc3)nc3nc(N)ccn23)n1)c1ccccc1 12365513 KFEQXUZWOONGQK-MRXNPFEDSA-N 407.481 4.609 0 1 HJAF CCc1nn(CC(=O)O)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl 27760523 PBSYWSFVXMQDEB-UHFFFAOYSA-N 422.953 4.936 0 1 HJAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1Cc1c[nH]c2ccc(F)cc12 28243068 PNFOVVVKYYFTMQ-JOCHJYFZSA-N 401.416 4.847 0 1 HJAF CC(C)N(CC[C@@](CCCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C 40802282 IBSQBSLAQJXMDD-XMMPIXPASA-N 422.057 4.838 0 1 HJAF COc1ccc(CSc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1C(F)(F)F 40893993 DINKVMYYWYPQFX-UHFFFAOYSA-N 406.389 4.933 0 1 HJAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccoc1 45231367 VLIUUSLAXQMRMN-LJQANCHMSA-N 414.864 4.978 0 1 HJAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(OC(F)(F)F)c3)c2)on1 45316934 CTALINIYVVFXBM-UHFFFAOYSA-N 407.344 4.996 0 1 HJAF Oc1ccccc1C1=N[C@@H](c2ccc(Br)cc2)N[C@@H](c2cccnc2)C1 58015058 NLSBHRRHLAPICM-NQIIRXRSSA-N 408.299 4.772 0 1 HJAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2CC[C@H]1CCCN1C 82186164 CBKPGJZBAWMBPO-LJQANCHMSA-N 422.577 4.588 0 1 HJAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(Br)cc4)c3C2)nc1 114997483 YVOGFFAHHJCXSZ-OAHLLOKOSA-N 424.346 4.678 0 1 HJAF COc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)nc2ccccc12 118093273 CIQQNJQVGQVLBS-SFHVURJKSA-N 402.454 4.568 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccc2)C1 218507672 CVNKYCMMEPEVGH-UHFFFAOYSA-N 405.807 4.743 0 1 HJAF O=C1c2ccccc2C(=O)N1CCCCCCCCNCc1ccc(F)cc1F 299868001 ZCXKNMJBIIVQIS-UHFFFAOYSA-N 400.469 4.691 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(C)(C)C)c2[nH]1 586934548 BCQRUPYQZZJUPM-SFHVURJKSA-N 417.600 4.633 0 1 HJAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1C 586947865 AOZRWGCPNUMWEK-UHFFFAOYSA-N 407.495 4.656 0 1 HJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587032748 BHJIDVSGCLCHKO-KXBFYZLASA-N 407.499 4.773 0 1 HJAF N=C(N)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587111697 RDFAPDAJATXSIJ-UHFFFAOYSA-N 400.326 4.670 0 1 HJAF Nc1ccc(-c2ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)cc1N 587114320 SCTLDTYOZKFDRF-SFHVURJKSA-N 411.431 4.656 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](C(=O)O)(c1ccccc1)C3 587206747 MKFBWQGRKLJBOX-HHHXNRCGSA-N 405.453 4.958 0 1 HJAF CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398332 DYMNXFWIENPIEF-CJFMBICVSA-N 409.526 4.847 0 1 HJAF Cc1ccc(NC(=O)[C@@H](N=O)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587514221 WDRRCXLHPBAIPX-ISKFKSNPSA-N 406.482 4.680 0 1 HJAF C[C@@]1(c2c(F)cccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558674 SUFIBUYHDXYEDG-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF Cc1cccc([C@]2(c3cnc[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587588021 IZDAWELNYMMRGC-WIOPSUGQSA-N 412.445 4.638 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1 587714606 WEKCBHBEFGKTOW-VVVCHXIZSA-N 417.244 4.987 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587745996 YBQWNRHUUCECJL-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587771678 CHTOYQPWSJNNFD-YUNKPMOVSA-N 412.306 4.977 0 1 HJAF Cc1cccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587826498 HOYZURGWGYOACQ-QKKBWIMNSA-N 420.322 4.929 0 1 HJAF COC(=O)c1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951079 IVSBTUFRALPUHN-UHFFFAOYSA-N 401.260 4.710 0 1 HJAF COc1cc(-c2ccnc(F)c2)cc2c1nc(C)c1c(C)nc(-c3ccnc(F)c3)n12 653785012 SMBDWRLHTIVDJR-UHFFFAOYSA-N 417.419 4.910 0 1 HJAF O=C(CCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2c1 653800000 ZYAYVBHZEVZNNN-UHFFFAOYSA-N 407.413 4.690 0 1 HJAF CCC[C@@]1(CCC(=O)OCC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641637 OOJXRBWKASIROP-JYFHCDHNSA-N 406.570 4.772 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1ccc(OCCN3CCCCC3)cc1)N(C)[C@H](C)C2 962643570 XMUCNVWXDRFAAK-NIYFSFCBSA-N 424.585 4.534 0 1 HJAF COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)c2ccc(F)cc2C[C@H]2CCCN21 963094703 CTYJFMWZIUPUIU-XZCJXEOWSA-N 423.528 4.989 0 1 HJAF O=C1c2ccc(Cl)cc2C[C@@H]1CCN1CCCN(c2ccc(Cl)cc2)CC1 1857548014 DRIAFTYDAHWRDE-INIZCTEOSA-N 403.353 4.951 0 1 HJAF CCCCC(=O)[C@@]12CC[C@@H](C=C1C(=O)OC)[C@@H](CCC)[C@@]21OC(=O)c2ccccc21 2356409834 UEOQSTYKYFTKDQ-SZPNCKNLSA-N 410.510 4.737 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](C=COC(=O)C=C(C)C)[C@@]1(C)CC[C@H](C(C)(C)O)[C@H]2C1 2356438314 AIMMTSCLXAKBFQ-BEGIFEFTSA-N 416.558 4.507 0 1 HJAF CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 2489458 AQNJZLTYTADRSD-TZIWHRDSSA-N 400.563 4.512 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4043191 MYIGFWZWFWYKBT-PZJWPPBQSA-N 417.912 4.553 0 1 HJAF C[n+]1cccc(C(=O)OCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 13524850 BYSVZUUNCIGWFA-UHFFFAOYSA-N 415.513 4.682 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26385538 GZGRNURZGJTHEM-SHNLOOGUSA-N 402.623 4.725 0 1 HJAF Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3ccccc3)n2)cc1 26719121 GJYVFTWYPMHXKV-UHFFFAOYSA-N 414.488 4.814 0 1 HJAF CCOC1(OCC)[C@@H]2c3c(Br)cccc3[C@@H]([n+]3ccccc32)C1(C)C 27517503 VSBDNMJNZDGYRX-RBUKOAKNSA-N 403.340 4.580 0 1 HJAF COc1ccc(N2C(=O)[C@H](CCC(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 28095558 JCFPAMXMGPUZQC-ISKFKSNPSA-N 401.462 4.768 0 1 HJAF Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1ccc(C(F)(F)F)nc1C(C)C 28528158 XNYUHDKHKQHGTB-UHFFFAOYSA-N 407.436 4.923 0 1 HJAF Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 29129566 LYHXSDWIWVVZPB-UHFFFAOYSA-N 412.375 4.870 0 1 HJAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Cc1cc(OC)c(OC)c(OC)c1 45260468 UTSMBMSNLOLNLC-UHFFFAOYSA-N 403.862 4.615 0 1 HJAF CN(C)C[C@@H]1CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2C1 72114396 BMCLCCGIUCWIFZ-LJQANCHMSA-N 420.578 4.821 0 1 HJAF CC(C)(C)OC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184662 KTTZGPKODWVFKY-FQEVSTJZSA-N 401.938 4.814 0 1 HJAF COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 84634533 ZUFGPXRNQYMRFT-UHFFFAOYSA-N 421.419 4.666 0 1 HJAF COc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 95593447 UUWRLBBHDRBQLO-UHFFFAOYSA-N 412.656 4.534 0 1 HJAF CC(C)(C)NC(=O)[C@@H](c1cn[nH]c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95597673 LOMABGWEWYUDCZ-HXUWFJFHSA-N 422.529 4.603 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c2cc(C)ccc2n1 141898978 RTCXEIPGGCCRLN-UHFFFAOYSA-N 422.492 4.716 0 1 HJAF CCOc1cncc(C2=CC[C@H]3[C@@H]4CC[C@@H]5N(C)C(=O)COC[C@]5(C)[C@H]4CC[C@]23C)c1 169231367 CXAUCSWTAQTLRI-MZRVKKKHSA-N 424.585 4.573 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC4(c5ccc(Cl)cc5)CC4)ncc23)ccn1 205430607 CNBHQEJEMHPPLE-UHFFFAOYSA-N 418.888 4.793 0 1 HJAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2cccnc2Cl)NC(=O)N1 206447179 DZNHBNDWUAAIJX-QGZVFWFLSA-N 407.886 4.515 0 1 HJAF CCCC[C@@H]1CN=C2N(CC[C@@H]3C[C@H]4CC[C@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21 253805248 KWTDWBFTETWUMK-QJUOVVKFSA-N 409.618 4.979 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(CCSCc3ccc(C)cc3)nc2c1 586969953 CBMGRLTXJQYKMQ-UHFFFAOYSA-N 419.344 4.896 0 1 HJAF C[C@@H](c1nc2cc(I)cnc2[nH]1)c1ccccc1C(F)(F)F 587098217 OORSFWOKDIHAPA-MRVPVSSYSA-N 417.172 4.733 0 1 HJAF Cc1c(Br)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168355 IMSKHWRQEUVACX-UHFFFAOYSA-N 412.266 4.898 0 1 HJAF COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415560 USXQTTQUQTVTEW-HSZRJFAPSA-N 406.507 4.906 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O 587426291 BWYXXYWDYZOGMD-KKSFZXQISA-N 412.848 4.530 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ccc1Br 587538429 DUVAIRWNDUJAGA-PXNSSMCTSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COC(F)(F)F)c1ccccc1 587554771 JFZFFZSTWRWRQU-RXVVDRJESA-N 416.351 4.786 0 1 HJAF FC(F)(F)Oc1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 587566075 SSPVLYKRJWDRKC-UHFFFAOYSA-N 415.209 4.983 0 1 HJAF C[C@@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583210 QZNXUGXTWOJCCM-FDDCHVKYSA-N 415.489 4.950 0 1 HJAF CC(C)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587768918 DTXRMMDXEKBFAK-KZULUSFZSA-N 402.311 4.983 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN([C@@H]3CCC[C@@H](C)C3)CC2)N1 587772283 ZPNCHQXIXHHUII-HLLBOEOZSA-N 409.387 4.992 0 1 HJAF CCOC(=O)C(CC)(CC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797683 MVEIUHUHXIEWPF-SGTLLEGYSA-N 400.332 4.707 0 1 HJAF C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 587809352 RENPNMGAEGJTAQ-MDUJURBBSA-N 424.354 4.873 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccs3)nn2C)N1 587850685 DWKBIAWZFWUTOW-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF CCN(CC)c1ccc2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c(=O)oc2c1 587875436 ODSOPOYFWVTYPI-UHFFFAOYSA-N 419.412 4.436 0 1 HJAF O=C(Nc1ccccc1O)[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1Cl 653833267 TVCRSCRTIZBHMS-FQEVSTJZSA-N 406.869 4.646 0 1 HJAF CC(C)(C)OC(=O)N1CC2(C1)C[C@@]1(CS2)NCCc2cc(-c3ccccc3)ccc21 962667991 NSAWYHFDCFRAAV-VWLOTQADSA-N 422.594 4.821 0 1 HJAF c1ccc(COc2ccc(-c3nc([C@@H]4NCCc5nc6ccccn6c54)co3)cc2)cc1 962983131 AUSCPCYIDHQFBE-DEOSSOPVSA-N 422.488 4.803 0 1 HJAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34C[C@@H]3C=CC[C@@H]34)nc(Cl)nc21 963916498 SSQKPPJRMVYTCH-WSZRMNBISA-N 421.932 4.620 0 1 HJAF Nc1ncc(-c2cn(Cc3ccccc3Cl)c3c(F)cc(F)cc3c2=O)s1 1772579042 SMLUJOUBPMYZMY-UHFFFAOYSA-N 403.841 4.687 0 1 HJAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(O)nc4cnccc43)CC2)[C@H]1c1ccc(F)cc1 1772592260 LQBYGXPMOGFIGJ-ZWOKBUDYSA-N 424.476 4.732 0 1 HJAF Cc1ccc(-c2ccc(C(=O)N[C@@H](Cn3ccnc3)C(=O)c3ccccc3)cc2)cc1 1857577359 HWUVZRSHEJRRQK-DEOSSOPVSA-N 409.489 4.540 0 1 HJAF CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1oc1c(C(=O)[C@H](C)CC)c(O)cc(O)c12 1857635136 IEUWCIKYZVYZHM-NXEZZACHSA-N 400.427 4.866 0 1 HJAF COc1ccc(COC(=O)[C@H]2[C@@H](c3ccccc3)[C@H](C(=O)O)[C@@H]2c2ccccc2)cc1 1857655737 AZEQYNNFUZBSPP-ZJZGAYNASA-N 416.473 4.637 0 1 HJAF COC(=O)c1ccc(Cn2ccc3cc(NC(=O)OC4CCCC4)ccc32)c(OC)c1 1857656381 LMZORIOILLJRKF-UHFFFAOYSA-N 422.481 4.976 0 1 HJAF CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C=CC[C@H](C)C=C[C@]2(C)CC[C@@H](C(C)(C)O)[C@H]12 2356506250 GUBKYEIHAMSZRO-SZFWQYFESA-N 406.563 4.586 0 1 HJAF C[C@@]1(C(=O)Nc2ccccc2F)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61897482 JPWVFMFQYHIWNQ-VWLOTQADSA-N 402.469 4.665 0 3 HJAF C[C@@]1(C(=O)NCCc2c[nH]c3ccccc23)CCN1Cc1csc2ccccc12 61907678 CCALBAAYMQXKPB-DEOSSOPVSA-N 403.551 4.706 0 3 HJAF CC(C)CCNC(=O)c1cnn(C(C)(C)C)c1C1CCN(C(=O)OC(C)(C)C)CC1 7001415 IFSKDKBHVIWFOM-UHFFFAOYSA-N 420.598 4.529 0 1 HJAF O=S(=O)(Nc1cccc2c1CCC[C@H]2c1c[nH]cn1)c1ccc2ccccc2c1 13580165 YGQHJHASKZGUEH-OAQYLSRUSA-N 403.507 4.832 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26724007 ZUTDWEZJQLTNOA-AZUAARDMSA-N 424.566 4.950 0 1 HJAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C[C@@H]2CCCNC2)ccc1Cl 28825943 OXQVQNQTPUBRKB-QZGUCNERSA-N 400.994 4.828 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(CCC[C@@H]2OC(=O)NC2=O)cc1 29319868 BLNRZUDDPXKIEA-QFIPXVFZSA-N 418.493 4.783 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189707 WTMPZTOIYURJBE-JVSPOQEVSA-N 402.623 4.867 0 1 HJAF CC(C)CC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)s1 40865587 YOMDIOCYGPKEPV-UHFFFAOYSA-N 410.524 4.735 0 1 HJAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCC(C)CC2)nc2ccc(OC)cc12 45303125 YGBNBIHDHMIRMG-QLFMASBFSA-N 423.601 4.634 0 1 HJAF NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)s1 66101741 QLMFADDLSJKRFE-OAQYLSRUSA-N 403.555 4.558 0 1 HJAF c1cc2cc(-c3ccc4cc(C5=NCCCN5)[nH]c4c3)sc2cc1C1=NCCCN1 143826569 JEOPPKWTIRDLAH-UHFFFAOYSA-N 413.550 4.529 0 1 HJAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H]2CC1 169354479 FMTBRQQRKOQJRA-UCHKZTAJSA-N 412.549 4.572 0 1 HJAF COc1cccc(CN(C)CCCOc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 221970935 ITYHQJQWDFKQFQ-UHFFFAOYSA-N 407.510 4.581 0 1 HJAF O=[S@](CCCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Br)cc1 586961225 SYQHJNCWETXRLO-RUZDIDTESA-N 417.372 4.945 0 1 HJAF CCc1c(CNC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987341 DEVGMSZUZGWSQX-UHFFFAOYSA-N 404.466 4.739 0 1 HJAF CC(=O)Nc1cccc(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988192 GDFOZGLZUBJWMW-UHFFFAOYSA-N 422.440 4.536 0 1 HJAF COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl 587004233 RWQYXZGFKQAODF-SECBINFHSA-N 421.678 4.623 0 1 HJAF COc1nccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 587004994 ICAFOCDTDZQPBZ-UHFFFAOYSA-N 414.101 4.541 0 1 HJAF O=C(CSCc1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112543 ACYXABMAPXPVJM-UHFFFAOYSA-N 419.350 4.871 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C)nc4[nH]3)nc2n1 587114782 HQEKUMMHIZWKRM-UHFFFAOYSA-N 406.437 4.732 0 1 HJAF Nc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 587251328 CSUQQUHTSBRLAT-KPKJPENVSA-N 424.913 4.770 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCCN3CCC[C@H](C)C3)c1)O2 587396270 RHRSBLZBBNIWOU-XDHUDOTRSA-N 408.542 4.785 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418010 GINNFNOGXPOXIW-RNODOKPDSA-N 401.249 4.881 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610578 PUWVNTZOIAJBCA-RDGATRHJSA-N 418.445 4.821 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC[C@H]2CCCO2)cc1 587619548 XXHJKROEVQEZQY-WSUBETFTSA-N 418.445 4.653 0 1 HJAF CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2cc(F)ccc12 587634145 BHGMXBAWXSGPEO-UHFFFAOYSA-N 409.198 4.755 0 1 HJAF CC(C)CC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704630 JFYQSCCCTYQZBN-QLJPJBMISA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(C(F)(F)F)N1 587707364 UNSXLFRKXMOEMG-HWPZZCPQSA-N 403.217 4.518 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)F)cc2)N1 587716166 ISNPBERBXWYYMB-XTZNXHDOSA-N 400.238 4.856 0 1 HJAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810051 SVLYGVRBULDCJE-RSDNVYMRSA-N 424.354 4.873 0 1 HJAF Cc1ccc(C)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587827602 LCZZVHCWGPGOPH-QKKBWIMNSA-N 420.322 4.848 0 1 HJAF COc1cccc2c1OCC([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 587835574 QBCMISUXESMRMV-WYRIXSBYSA-N 404.279 4.648 0 1 HJAF C[C@H]1CCc2cc(-c3nccc4occc34)ccc2N1C(=O)c1ccc(O)cc1O 653678774 CKCBDRGQGSQRFN-AWEZNQCLSA-N 400.434 4.888 0 1 HJAF COC(=O)Nc1noc2cc(-c3c(-c4cccc(OC(C)C)n4)n[nH]c3C)ccc12 1772646164 PFVWMBHZXNTPLO-UHFFFAOYSA-N 407.430 4.554 0 1 HJAF O[C@@H]1CN2CCCCCCC=CCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356446849 HHMDHZQGNZVLBL-LDTQXXFPSA-N 410.646 4.937 0 1 HJAF O=C(c1ccoc1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1 837989 AGXOWHFNWHJFGU-UHFFFAOYSA-N 409.917 4.682 0 1 HJAF CC(=O)c1cccc(NC(=O)N/C=C/CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 28975469 DHVVNENKLSLVOC-JEFHHPKPSA-N 409.505 4.618 0 1 HJAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2=S)cc1Cl 29038192 SPVTWWYLWLURQD-UHFFFAOYSA-N 406.891 4.890 0 1 HJAF COc1cc(-c2ncn(C)c2-c2cc(Cl)c3c(ccn3C)c2)cc(OC)c1OC 29411445 WEMKNPHCKIVFCR-UHFFFAOYSA-N 411.889 4.925 0 1 HJAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccccc1)[C@@H](O)C3=O)C=CC(C)(C)O2 38628344 UNYRLLNPZQFKTP-FCHUYYIVSA-N 406.478 4.762 0 1 HJAF biogenic,in-vitro CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 45288202 WHWOXTLAMAZUQG-PLTCLBSDSA-N 400.607 4.894 0 1 HJAF Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 45498727 LPLGYKXGVGROOD-UHFFFAOYSA-N 421.859 4.871 0 1 HJAF O=C1C(=O)N(CCCNc2ccnc3cc(Cl)ccc23)c2cccc(Cl)c21 64479886 RQLOASSNKPVZKG-UHFFFAOYSA-N 400.265 4.573 0 1 HJAF CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2)CC1 101433023 DWPNFFNLACEBPT-KDURUIRLSA-N 423.557 4.810 0 1 HJAF CCOC(=O)[C@@](C)(Cc1cccnc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 115651264 LGNQLODAJVVOQC-QHCPKHFHSA-N 420.900 4.508 0 1 HJAF COc1ccc(CN2CCN([C@H](c3cccc(C)c3)[C@@H](O)c3ccccc3)CC2)cc1 169332186 KIBVFZMXABYOHN-SXOMAYOGSA-N 416.565 4.596 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1C1CCC1 169729629 UBGWXSYHQYIJPU-QZTJIDSGSA-N 401.301 4.986 0 1 HJAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3F)cccc2c1 225104384 KLUCCKVPFWSDCC-UHFFFAOYSA-N 419.890 4.952 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 586898199 MWNCVGOONOMZES-UHFFFAOYSA-N 415.287 4.754 0 1 HJAF CC(=O)N1C[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)-c3cccc1c32 586988871 YRIVCNHNAYLIJU-CQSZACIVSA-N 418.452 4.825 0 1 HJAF Clc1c[nH]c2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2n1 586997810 DVCUVLWBQRKOAV-UHFFFAOYSA-N 415.678 4.966 0 1 HJAF FC(F)(F)Oc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Br 587090294 OOSTYJXFTXUQKT-UHFFFAOYSA-N 408.124 4.759 0 1 HJAF COc1ccccc1NC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104773 VYTZPDDFMFGRID-HSZRJFAPSA-N 423.428 4.901 0 1 HJAF C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333386 VGKRQZAKPFFKLT-IRLDBZIGSA-N 423.831 4.502 0 1 HJAF C[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359423 RRGZQXMDZGNDJU-GRYUFTJMSA-N 420.436 4.583 0 1 HJAF COc1cc(CCC(F)(F)F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587382557 QDMXLKJZJLTQOS-KRWDZBQOSA-N 409.404 4.796 0 1 HJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc(C=O)c1 587401893 ZFMGNJRIVNUZSQ-XMMPIXPASA-N 417.461 4.684 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCNc3cccc(Br)c31)CC2=O 587459305 OCEKUMQCJFMSQA-HXUWFJFHSA-N 402.288 4.784 0 1 HJAF CN(C)/C=C/[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568137 DAUMLMLHJSXBRH-PWXBCUNRSA-N 423.415 4.603 0 1 HJAF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccncc1 587628281 QUIJGGFXTJUYQP-UHFFFAOYSA-N 416.277 4.618 0 1 HJAF CCCCc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)[nH]1 587702457 XRZPANHARSTVPN-RFAUZJTJSA-N 400.723 4.931 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccccc2)N1 587722883 UKUYDJAXSRVWKK-WYRIXSBYSA-N 412.249 4.590 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](c3ncccc3O)C2)N1 587774181 SZYLNVNGZHKVPS-VQZRKKFQSA-N 405.311 4.776 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ncccn3)c2)N1 587775308 QORZYIWVLCQIFX-HXPMCKFVSA-N 414.278 4.794 0 1 HJAF CCOC(=O)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795805 JKMMEYYASYZUIM-SZNDQCEHSA-N 420.322 4.514 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2nc(C)cc2C)c1 587872395 KXWYQMLPJFTUKP-UHFFFAOYSA-N 418.472 4.638 0 1 HJAF CCn1ncc(-c2cc(C(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c1C 587873638 FTSDCDPSIIYMRZ-UHFFFAOYSA-N 412.375 4.704 0 1 HJAF Cc1nn(Cc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c(C)c1Cl 587874049 PCACWYCBFWFWKY-UHFFFAOYSA-N 412.808 4.591 0 1 HJAF Cc1ccc(/C=C\C(=O)N2N=C(c3ccncc3)O[C@@H]2c2c[nH]c3ccccc23)cc1 653719074 IABSPUVMDYXFHO-VBKSFVIKSA-N 408.461 4.804 0 1 HJAF CNc1ccccc1[C@@]1(C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961615539 PEVCGTDHHSCOTN-GOSISDBHSA-N 411.265 4.975 0 1 HJAF O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ccccn2)CC1 1857543965 CIQZMHMOCHBPHK-UHFFFAOYSA-N 414.553 4.578 0 1 HJAF O=C(O)/C=C/c1cc(-c2cccc(CO)c2)ccc1NC(=O)CCc1ccccc1 1857558882 YDBXDNAZFFMBKQ-SDNWHVSQSA-N 401.462 4.515 0 1 HJAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)NC[C@H](O)CO 1857622004 HZLZMAKGSBGAAI-XTSCSILFSA-N 401.591 4.934 0 1 HJAF C[C@]12CC[C@H](O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@H](c4ccoc4)[C@]2(C)CC[C@@H]13 2356336366 LZBMDSMLVLGIEW-FKIQYVNDSA-N 412.570 4.673 0 1 HJAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(N)ncn3)sc2c1 13536637 ZAKHQWBHSVESPQ-UHFFFAOYSA-N 410.890 4.626 0 1 HJAF O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1 14966885 WYXMCHIEHJQNKM-SFHVURJKSA-N 418.356 4.913 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 26399200 HNCAMNUTTBOMFY-BKGOHCFPSA-N 402.623 4.725 0 1 HJAF CC(C)(NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCCC1 27617996 OBJHHHOZIZBPLI-UHFFFAOYSA-N 414.933 4.623 0 1 HJAF O=C(O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 45386613 QHIWSKKUHCULFQ-UHFFFAOYSA-N 406.238 4.538 0 1 HJAF CN(C)CCCNCc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c12 72119620 KBPMKBXOFKORQN-UHFFFAOYSA-N 406.961 4.933 0 1 HJAF O=C(Nc1ccc(F)cc1)c1csc([C@H](O)c2cccc(OC(F)(F)F)c2)n1 82079029 ATLSPQGJINACFW-OAHLLOKOSA-N 412.364 4.515 0 1 HJAF CC(C)Nc1c(-c2cnn(C)c2)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12 95604232 FIIGCFKJCFIXSP-UHFFFAOYSA-N 420.538 4.526 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCC2)c1=O 114709670 QZUGBZBQZLROHE-PMOLBWCYSA-N 423.557 4.766 0 1 HJAF Cc1cc(C)c(/C=C/[P@@](=O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 169728590 PCUNTERTXDNUKB-VOTSOKGWSA-N 404.374 4.703 0 1 HJAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)cc1 218558713 MXNUFOBACKPRRN-UHFFFAOYSA-N 405.498 4.889 0 1 HJAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(Cl)cc4C)ncc23)ccn1 219755158 UOFUJFDCRMPFCF-UHFFFAOYSA-N 406.877 4.612 0 1 HJAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(C(F)(F)F)ncn3)c2F)cn1 224563282 IFKQUCABOUFVMQ-UHFFFAOYSA-N 405.355 4.734 0 1 HJAF O=C(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1 224811732 FYKOCFBJZLDPPM-UHFFFAOYSA-N 401.441 4.508 0 1 HJAF COC(=O)/C=C(\C)CC/C=C(/C)CC/C=C(\CC/C=C(\C)C(=O)OC)C(=O)OC 238784000 TZNCUOKXJMCRAP-KIHXTIDZSA-N 406.519 4.611 0 1 HJAF FC(F)(F)c1ncc2nc(COc3ccc4ccccc4c3Br)nc-2[nH]1 587001848 REBMKQCLGMWZAH-UHFFFAOYSA-N 423.192 4.818 0 1 HJAF Cc1nc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1Br 587012920 NPPYFZLLKYDBCY-UHFFFAOYSA-N 414.126 4.792 0 1 HJAF Cc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119581 FCRKXFLDPHLZRF-UHFFFAOYSA-N 413.241 4.776 0 1 HJAF CC(C)COc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587154034 BRHUTHPWJQNUAD-ZUOKHONESA-N 418.310 4.841 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(COCc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587327154 FGYZFHMDRYWHPX-GGAORHGYSA-N 410.828 4.969 0 1 HJAF COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428031 LHXJCPLQICSPBF-BWKNWUBXSA-N 404.437 4.729 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(=O)O)cc4)cc1)[C@@H](C2)C3=O 587448202 AJGOCMKUKODIRB-CPJSRVTESA-N 400.430 4.723 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C[C@@H]3CCCN3CC)c1C)CC2=O 587470256 JRCPECODTNRBMT-UUOWRZLLSA-N 410.558 4.954 0 1 HJAF O=C1C[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)Oc2c1ccc1c2CCCC1 587512985 HFOMSPZVTZRWGH-HSZRJFAPSA-N 405.494 4.573 0 1 HJAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(Cl)ccc21 587553196 UHYCIQKQUURFSL-GHTZIAJQSA-N 406.825 4.635 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3ccccn23)N1 587705745 OIEBNPONPSMJGS-XTZNXHDOSA-N 408.702 4.687 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(F)F)N1 587718927 PCWATOMHZDRVBL-XTZNXHDOSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(F)cc3)C2)N1 587731616 HRRPYRKVYKZDPR-RKFVTTHHSA-N 420.297 4.994 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CN2CCCC2)N1 587768741 WBFIMUXLQVHVQW-LHSJRXKWSA-N 403.339 4.808 0 1 HJAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587776392 XGWXXXJSCZXTOX-JEOXALJRSA-N 401.279 4.769 0 1 HJAF COc1cccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587811625 WVHAZLAFKQLMTJ-FKIZINRSSA-N 406.295 4.619 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)COC(C)(C)O3)N1 587830051 DIGGNFJRKUMWFD-NSPYISDASA-N 406.295 4.857 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587836538 WHYFOEPTGGLWNS-CVRGZZQSSA-N 404.279 4.780 0 1 HJAF COc1ccc2c(c1)[C@](CCCCC(=O)O)(c1cccc(N(C)C)c1)N(C(C)C)CC2 962095368 YLUJUMAZYYCYJX-SANMLTNESA-N 424.585 4.916 0 1 HJAF COc1cccc2c1CC[C@]1(C2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962962508 VVLWKXFUEOAILT-HSZRJFAPSA-N 417.471 4.750 0 1 HJAF Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2NCCc3nc4ccccn4c32)c1 962987230 VJTLUWUBSBJABR-RUZDIDTESA-N 405.505 4.731 0 1 HJAF COc1cccc(OC)c1[C@]1(c2cnccc2C)c2c(F)cccc2C[C@H]2CCCN21 963111129 WHGARPJGQIRPKZ-BCHFMIIMSA-N 418.512 4.859 0 1 HJAF Cc1cc2cccc([C@H]3N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2[nH]1 963179463 LRILCIALBZYEHE-KBXCAEBGSA-N 408.807 4.837 0 1 HJAF CCCOc1ccc2ccccc2c1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229816 QCOAMLOCCJSJBH-RDGATRHJSA-N 412.489 4.865 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C[C@@H]2CSC[C@@H]2C1 963915343 MEIOESFWXBSIKD-MIVHDCIWSA-N 417.571 4.600 0 1 HJAF CC(C)[C@@H](N)CN1[C@H]2CC[C@H]1CC(NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1772590433 JLQIAYXDELEQSA-HJOGWXRNSA-N 413.556 4.623 0 1 HJAF COc1c(C)cccc1-c1cc([C@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 1772657164 FASLZXLYQSUZEK-KRWDZBQOSA-N 420.387 4.987 0 1 HJAF CCCCc1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CCCC)n1 1533785 XLXMXFXXYBNHJV-UHFFFAOYSA-N 415.545 4.859 0 1 HJAF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2478342 YPFSTZVOULPZDK-UHFFFAOYSA-N 406.816 4.707 0 1 HJAF COc1ccc(CC(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1 4757626 ICXQREQTLKJVCP-UHFFFAOYSA-N 403.526 4.969 0 1 HJAF Cc1cccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)c1 5579599 JVYHRFMEJWAETM-UHFFFAOYSA-N 400.507 4.811 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26385545 GZGRNURZGJTHEM-IWBJTSIOSA-N 402.623 4.725 0 1 HJAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCC[C@@H]3c3ccccc3)[nH]2)c1 28243046 XKRYBGZHAIRWAY-HSZRJFAPSA-N 424.566 4.821 0 1 HJAF FC(F)(F)c1ccc(OC2[C@@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)cc1 40406905 GLFZIVKBXLWTMQ-IAGOWNOFSA-N 404.436 4.663 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncccc2[nH]1)C(F)(F)F 64416799 LYFIFVUTEYRUOT-FQEVSTJZSA-N 410.411 4.914 0 1 HJAF c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncnc5ccccc45)CC3)CC2)cc1 100803071 IVCDUDHUOFADMA-SZPZYZBQSA-N 415.585 4.813 0 1 HJAF CCC(CC)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1 169709784 QNCLAKNTPSBMNK-GAJHUEQPSA-N 411.546 4.504 0 1 HJAF 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GCUQDZCYEPWYNP-ZCYQVOJMSA-N 412.420 4.624 0 1 HJAF C[C@@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342753 PQBLQSZBCQQQMJ-ZCYQVOJMSA-N 414.436 4.991 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587442650 MRCBNLLIPDQGMT-RDPSFJRHSA-N 400.430 4.712 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O 587449348 ACPYHFCBAZVMBP-STSUOBMCSA-N 421.518 4.748 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(C(=O)O)cccc21 587480080 FCPNAQRBODVPIX-RUZDIDTESA-N 400.430 4.932 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574188 VRYFZIYYOATXQT-WIOPSUGQSA-N 419.477 4.555 0 1 HJAF C[C@H](OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587591138 BHPVLSWQEZRWLE-PMHROOCVSA-N 418.445 4.807 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cscc1Br 587617278 JQYQOYKYLCXWNG-YJBOKZPZSA-N 403.253 4.919 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)nc2)N1 587680227 HWKWDTBKXYPDCP-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC(F)F)cc2)N1 587717632 LTQQDEHJPQVZCY-YPMLDQLKSA-N 400.238 4.987 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725280 OOMDMDVIBVDEJS-FKIZINRSSA-N 418.285 4.711 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 587734923 SQAXZSVDZWGWFT-PRWKNARSSA-N 418.285 4.845 0 1 HJAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCOCC3CC3)[nH]c12 587783852 HJLMHXAZWLFVNW-UHFFFAOYSA-N 421.394 4.942 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC2CCOCC2)N1 587833909 ILKSYUUGRIJVLA-YEJXKQKISA-N 420.322 4.770 0 1 HJAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834450 RIPVYSLYMFOQDE-QKAVXHIFSA-N 420.322 4.554 0 1 HJAF Cc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587852506 LWQCEEAJZHMYFS-QTTZVWFDSA-N 420.145 4.739 0 1 HJAF Oc1ccc2c(c1)[C@](CNc1ccc(Br)cc1)(c1ccccc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c1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1 8772712 HMPPDAGBOYLPAQ-UHFFFAOYSA-N 411.546 4.714 0 3 HJAF CCOc1cccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)c1 100452824 VCNLGIUNLXMEII-UHFFFAOYSA-N 416.525 4.974 0 3 HJAF Cc1c(C(=O)Nc2ccccc2)oc2cccc(OCCCNCc3cccnc3)c12 13438483 STNDLVAMIAXTQH-UHFFFAOYSA-N 415.493 4.947 0 1 HJAF COc1ccc([C@@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC 14641918 FUFHSLKNBJRCDG-JVAKMFGZSA-N 402.487 4.814 0 1 HJAF biogenic O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(F)cc1 27556731 XBEXHWPCLKUYDD-UDYYATQQSA-N 400.490 4.761 0 1 HJAF CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1 27900428 GQBRYJANYDGUOI-IAGOWNOFSA-N 419.780 4.891 0 1 HJAF C[C@@](O)(C[S@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801512 GJCXIQFUTFASBU-XGCWNURASA-N 419.827 4.995 0 1 HJAF CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)CC1 82142017 IQIUZJJGOJSPMS-JYBIWHBTSA-N 422.573 4.773 0 1 HJAF CNC(=O)c1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)ccn1 84740060 QZHJBALYKFJKFZ-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF COc1cc(O)c([C@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc(C)cc2)c(OC)c1 95582276 ROYUVWSZRPLDIA-LVCYWYKZSA-N 411.542 4.744 0 1 HJAF COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1 169694918 SZWWTIDHPCRSNF-NHCUHLMSSA-N 421.537 4.881 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cnc3C)cc1[C@@]21N=C(C)C(N)=N1 169708697 KWUKMYMZASNCGG-TVNWEXPRSA-N 422.960 4.826 0 1 HJAF CN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 253636676 OKVPDEXTEJGPIM-BLTAGBQOSA-N 406.570 4.563 0 1 HJAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc4ccccc14)[C@@H]23 299820652 CSNFOPIQXZMKJQ-YUHKXCSQSA-N 420.597 4.858 0 1 HJAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 299886550 XIZKWAWVFHODKQ-VCBZYWHSSA-N 411.506 4.571 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587040784 BUJOWQUISWDWCO-ZDUSSCGKSA-N 423.325 4.551 0 1 HJAF CNc1cc(Cl)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1 587066816 HXDXKDUKPUCHLM-UHFFFAOYSA-N 419.053 4.578 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(F)c2[nH]1 587114222 RICARGSDDZPKIH-NSHDSACASA-N 402.189 4.726 0 1 HJAF N[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1F 587148873 AYPFWIWCSBKELL-LBPRGKRZSA-N 406.152 4.671 0 1 HJAF CN(C)/C=C/[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339094 RETRNJQZCWAZEE-QZMWHONUSA-N 403.453 4.861 0 1 HJAF C[C@@]1(CC(=O)Nc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340914 ZNLHZSHRQCWRJQ-UPVQGACJSA-N 423.415 4.817 0 1 HJAF C[C@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344621 HKAINWGGHPLFOB-NZQKXSOJSA-N 405.381 4.652 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)c(Br)c1)[C@@H](C2)C3=O 587413393 NYLIXDWJLKBHIZ-VBKZILBWSA-N 403.272 4.734 0 1 HJAF CCCc1c(O)ccc2c1OC(C(=O)c1ccccc1)(C(=O)c1ccccc1)CC2=O 587488674 KEIHNUQBKNUSRQ-UHFFFAOYSA-N 414.457 4.815 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CCCCC2)n1 587582618 QJHZEOYCDDQEIM-RDPSFJRHSA-N 404.466 4.876 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccn2)N1 587679973 NFHZJKDHFUZRBO-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706747 RANOSUDTMDVFSF-HWPZZCPQSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1 587708243 ABNRZJUVWAZBQM-ZYSBLVPFSA-N 408.233 4.639 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2C(F)(F)F)N1 587711460 KOEQPNWQZVBHTB-JDNHERCYSA-N 403.217 4.800 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(N)cccc12 587742523 ALNDWNIASDYVOU-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF Cc1ccc([C@@]2(c3occc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587748855 ZAPQGSOIKBOPPN-LRTDBIEQSA-N 415.306 4.898 0 1 HJAF Cc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587759982 NKFPDGLEUBXKKM-RNODOKPDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCC2=O)N1 587822703 MCLBYANLENBQLT-ZQWRNJAYSA-N 402.307 4.735 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccccc1Br 587869379 IKQDVNJSTQPYBF-UHFFFAOYSA-N 419.250 4.570 0 1 HJAF O[C@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@@H]([C@@H]14)[C@@H]35 621430882 HMVINQSUNXRPKR-TXSDGRDGSA-N 410.646 4.935 0 1 HJAF COc1ccc2c(c1OC)[C@](COCc1ccccc1)(C(F)(F)F)N(C)[C@@H](C)C2 962622118 JCXMTCQOIRGOAS-YCRPNKLZSA-N 409.448 4.555 0 1 HJAF CC(C)(C)[C@@]1(CC2(O)CCCCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962974830 LPRCKGJUPZQXTE-VFNWGFHPSA-N 415.908 4.544 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C[C@H](C)CC(=O)O)c1cccc(C)c1C 963058927 RHTAAAPFTGIEFT-DXPJPUQTSA-N 418.537 4.750 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)C[C@@H](O)C(F)(F)F 1857621877 JVSPILBDVWXPBS-IUZXTYFMSA-N 416.524 4.889 0 1 HJAF COc1ccc(-c2oc3ccccc3c(=O)c2OCCCN2CCCCC2)cc1OC 1857764988 LKUBZZFJCWKOBB-UHFFFAOYSA-N 423.509 4.732 0 1 HJAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3F)SC2)cc1OC1CCCC1 43015473 KSBWTRHMRPGQHS-UHFFFAOYSA-N 424.501 4.772 0 3 HJAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4049633 MICIAYUIMHMVBK-ZCYQVOJMSA-N 414.505 4.598 0 1 HJAF CC(C)CC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 6733269 ORKKQJZKIDMWTI-UHFFFAOYSA-N 404.495 4.673 0 1 HJAF CCCC[C@H](NC(=O)OCC1(CC)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 13583782 OCXWPKBDRNTJBZ-QUCCMNQESA-N 416.562 4.688 0 1 HJAF O=C(c1ccccc1Cl)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 13735034 SFCBBMSYOPFMBK-UHFFFAOYSA-N 417.856 4.614 0 1 HJAF CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3nc(C)ccn23)cc1 26292190 NJVSMSNTFQPRHG-UHFFFAOYSA-N 422.573 4.940 0 1 HJAF C[C@]1(C2CCCC2)Cc2cc(OCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O 28344172 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O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccc2ccccc12 168206324 DVZJJZFYWPLVFD-UHFFFAOYSA-N 409.489 4.645 0 1 HJAF Cc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(C(=O)O)cc5)cc4c32)cc1 169354053 UKNUDCXAMPOWDS-UHFFFAOYSA-N 409.445 4.551 0 1 HJAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCC[C@@H]3C(F)(F)F)nc2c1 205092128 VJBLVFBNENQLSC-MRXNPFEDSA-N 405.351 4.665 0 1 HJAF C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc(CC(=O)O)cc4)n[nH]c2-3)CC1 253632407 BTBLVKQZYNTQOX-NBEIKUQISA-N 415.537 4.943 0 1 HJAF C[C@@H]1C=CCC(=O)N2[C@H](CC(=O)N[C@@H]1c1ccccc1)C[C@@H](C)[C@H]2c1ccccc1 254043345 KZQIDWVGSIGTGJ-OELATEBRSA-N 402.538 4.808 0 1 HJAF CC(C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 299871581 YSMMDUQVZHKSNN-RBUKOAKNSA-N 402.325 4.603 0 1 HJAF CCCCOc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587039420 DSGIULXPLZLECM-UHFFFAOYSA-N 405.321 4.804 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587041068 VHTOCPNFRFSNAD-FQEVSTJZSA-N 418.522 4.706 0 1 HJAF 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NXVAGTCVINQEOU-SREIQFSDSA-N 409.246 4.996 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cccnc12 587778891 OPXQUOASTPEOOB-QKVFXAPYSA-N 411.274 4.915 0 1 HJAF CC(=O)Oc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587808467 GUXMVBKVMNVWTH-ODXCJYRJSA-N 406.295 4.754 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2c1CC[C@H](C)C2 587869178 BADVBSSVWQRYFS-NSHDSACASA-N 421.444 4.847 0 1 HJAF Cc1cc2c(cc1F)[C@](c1ccccc1CN1CCSCC1)(C1CCC1)NCC2 962148845 VGCDFOFXVPLBLS-RUZDIDTESA-N 410.602 4.872 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1cc(Br)c(Cl)o1)N(C)[C@@H](C)C2 962628770 QEODVLZXZSJEBC-XXFAHNHDSA-N 400.700 4.679 0 1 HJAF CC(=O)O[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(c4cccc(F)c4CCN1[C@@H]1CCSC1)[C@H](C3)C2 962701890 LRRXMNPCBFBIIG-SUSIATKLSA-N 415.574 4.526 0 1 HJAF O=C(O)c1cccc2c1CCN[C@H]2[C@H]1CCCN(c2ccc(C(F)(F)F)cc2)C1 963130593 KOVVGGPKZQUYQB-XOBRGWDASA-N 404.432 4.507 0 1 HJAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1C 1772628455 KOVXAWATCCSGOJ-UHFFFAOYSA-N 409.463 4.872 0 1 HJAF CC1=C(CCC(=CC[C@@H]2OC(=O)C=C2CO)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 2356562235 QJXKKRHELODLFT-WRALFONMSA-N 402.575 4.862 0 1 HJAF CC1=CC[C@H](C(C)=Cc2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@@H](C)CCC1 2356726324 UYUFFQJDKXXQKP-APMMZXSISA-N 419.587 4.879 0 1 HJAF CC(=O)OCC=C(C)CCC1=C(C)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C 2356768442 POJOUPPDRISOJM-YCSHWKNNSA-N 406.563 4.731 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)NC)[C@H](O)C[C@@]2(C)[C@]4(C)CC[C@H]3C1(C)C 2356779487 SYZLFHXVKSPQIU-IFUQOHQUSA-N 416.694 4.982 0 1 HJAF CCCCC[C@@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(C=O)c2C=C[C@@H]1O 2356818584 DUIBJHDVPDDUKP-FPOVZHCZSA-N 410.466 4.799 0 1 HJAF C[C@H](CCN1CCC(CN2C(=S)NC[C@@H]2Cc2ccccc2)CC1)c1ccccc1 61936201 UMYBLLPNACKECR-BWKNWUBXSA-N 421.654 4.694 0 3 HJAF Cc1cc(=O)oc2cc(CN3C(=O)[C@H](n4c(C)ccc4C)c4cccc(F)c43)ccc12 206030785 ROWQGIBNNJUSEA-XMMPIXPASA-N 416.452 4.795 0 3 HJAF COc1cc2ncnc(Nc3ccc(C)c(NC(=O)c4ccccc4)c3)c2cc1OC 588215 IYBAQZSLFMVGQZ-UHFFFAOYSA-N 414.465 4.951 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCC(C)(C)CO 4310440 MPYVNZQHSMOUDG-RBUKOAKNSA-N 412.933 4.628 0 1 HJAF O=C(CCc1nc2cccnc2n1-c1ccccc1)N1CC=C(c2ccccc2)CC1 6737698 ALRSHDLFKOIKKF-UHFFFAOYSA-N 408.505 4.669 0 1 HJAF CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(-c3ccccc3)cc2)c1)C(=O)O 12358340 SMGUXZWVZUOLCO-HXUWFJFHSA-N 417.505 4.946 0 1 HJAF CCOc1cc2ncnc(Nc3cccc(-c4csc(NN)n4)c3)c2cc1OCC 13490780 MYJRQNZUINVTCU-UHFFFAOYSA-N 422.514 4.580 0 1 HJAF COC(=O)[C@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729554 FXQFHTPFBZPCEF-SFHVURJKSA-N 422.352 4.984 0 1 HJAF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@H]2C(=O)OCCCc2cccnc2)cc1 28642560 NFOISRKCLCJHIE-YKSBVNFPSA-N 422.569 4.551 0 1 HJAF O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccccc2-c2ccccc2)CC1 71315994 DAUQMVYSVJXUSY-UHFFFAOYSA-N 408.505 4.706 0 1 HJAF Fc1ccc(Nc2nc(NCc3ccnc(F)c3)nc(Nc3ccc(F)cc3)n2)cc1 117542500 JIJDWMJWEKXSMT-UHFFFAOYSA-N 423.402 4.783 0 1 HJAF O=C(O)[C@@H](c1ccccc1)n1nc(Cc2cccc3ccccc23)c2ccccc2c1=O 139823161 VEJXCOIVBQLOOM-RUZDIDTESA-N 420.468 4.815 0 1 HJAF C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc(Cl)cn1 587080745 YHDGSCSDMNGSAU-LURJTMIESA-N 409.593 4.683 0 1 HJAF CC(C)(C)OC(=O)N1CC2(Cc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 587106872 OAAVFPDCOUGFFK-UHFFFAOYSA-N 412.489 4.782 0 1 HJAF Cc1cc(Br)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587124877 CXBCKZCABKAZAK-PELKAZGASA-N 414.229 4.805 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1 587125324 RSFRUVAOJAIOHY-LDWIPMOCSA-N 418.192 4.636 0 1 HJAF Cc1cc(F)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 587167269 KLOGFUTWQXNUKN-UHFFFAOYSA-N 405.451 4.679 0 1 HJAF O=C(Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1)[C@H]1CCCC[C@H]1C(=O)O 587212438 JTQRODTZCXSETC-VQTJNVASSA-N 400.478 4.830 0 1 HJAF C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@H]2O 587215877 PFHFMHJAVNAZPF-FZOXCTAOSA-N 415.577 4.847 0 1 HJAF CN(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 587341809 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Cc1ccc2c(c1C)NC(=O)[C@]21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816460 BLLDKPRXDPXDEX-MHZLTWQESA-N 423.516 4.705 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 2356533654 NMFWDNZLNHRNAT-HNYIZRLKSA-N 413.646 4.627 0 1 HJAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@H]12)C(=O)O[C@]4(O)C[C@]3(C)O 2356565767 KNMOPFLBPXTWRO-DTMRZONQSA-N 400.559 4.530 0 1 HJAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(OC(F)F)cc3)cccn12 61907869 HNABLODYFHMURD-UHFFFAOYSA-N 419.428 4.670 0 3 HJAF COC(=O)[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]2(CCCO2)O1 61944952 ORWFTLBFPKYUFI-IMPNDFAOSA-N 420.590 4.719 0 3 HJAF Cc1oc(-c2ccccc2)nc1CCSc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 3798429 QOKFXIAPHZLSTL-IBGZPJMESA-N 424.547 4.879 0 1 HJAF C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 4177881 SDIQZUPBYGTTRC-DMDPSCGWSA-N 416.831 4.804 0 1 HJAF CCCN(c1nc(-c2ccc(Br)cc2C)n(C)n1)C(C1CC1)C1CC1 26936581 BDJWEDZATUQOAA-UHFFFAOYSA-N 403.368 4.958 0 1 HJAF CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1 28111523 HRLIFFYSYMIPQF-OAQYLSRUSA-N 408.853 4.885 0 1 HJAF C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1)c1ccccc1 82188443 NYDQVUGTZXKAIO-SJLPKXTDSA-N 419.554 4.949 0 1 HJAF CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O 84709355 MPBZQJGYFYORPA-UHFFFAOYSA-N 423.875 4.924 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 100772865 JCUWKPURUZEBFJ-DXNGDERMSA-N 412.526 4.789 0 1 HJAF endogenous,in-man CC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1 118227402 PEFKURKDJJKTQW-UHFFFAOYSA-N 420.520 4.926 0 1 HJAF COc1ccc(C(=O)[C@@H]2C[C@@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 169306124 QFZSCPSGXHGLGJ-HGHGUNKESA-N 422.352 4.876 0 1 HJAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cn1)C(=O)O 205343050 XKGZOWDWKMCOLE-UHFFFAOYSA-N 405.376 4.647 0 1 HJAF CC1=C(c2nc(-c3cccc(C#N)c3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1C 222312284 OYJGUNUQCPWJRH-FQEVSTJZSA-N 402.479 4.515 0 1 HJAF Oc1nc(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12 299870752 WXRPQSSOZNAGNZ-UHFFFAOYSA-N 410.949 4.524 0 1 HJAF O=[S@](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)CC1CC1 586958786 IYCJVGTXADXYPF-VWLOTQADSA-N 419.344 4.563 0 1 HJAF Clc1ccc(Br)nc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587004936 FGJZEUHTMAHGHI-UHFFFAOYSA-N 422.895 4.852 0 1 HJAF O=C(O)c1cc(Br)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587072980 BFKHYZFIQZEPIM-UHFFFAOYSA-N 405.679 4.951 0 1 HJAF O=S(=O)(c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1)C(F)(F)F 587074454 AOMRZXQHBJOTPO-UHFFFAOYSA-N 414.836 4.980 0 1 HJAF Cc1ccc2c3c(cc(-c4cccc(NS(C)(=O)=O)c4)nc13)-c1ccccc1C2=O 587101869 ITMOVAKGBJZFNN-UHFFFAOYSA-N 414.486 4.793 0 1 HJAF O=C(O)/C=C\C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104144 NMHJHWSNDIVFOK-SEYXRHQNSA-N 420.424 4.693 0 1 HJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)c(F)c2[nH]1 587108561 BIMFYKIHJUFHSY-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF Cc1ccc(Cl)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336556 YYERUWHUAOZYNU-MBSDFSHPSA-N 423.827 4.700 0 1 HJAF Cc1nc2sccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376912 YUWQUKPSUWYWGF-GCJKJVERSA-N 408.454 4.823 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc3c1OCO3)CC2=O 587459411 WPEPHFAUORTCNB-INIZCTEOSA-N 405.244 4.542 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1O 587539155 IABVRKMMTJXSNZ-OXJNMPFZSA-N 413.223 4.563 0 1 HJAF O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 587587957 OVWOLOUVYMKIGA-BVAGGSTKSA-N 423.424 4.970 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccn2)n1 587612168 KMLPSFQAZIWFQM-GHTZIAJQSA-N 402.431 4.614 0 1 HJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCc1ccc(Cl)cc1 587622112 XQOAHTDNFGMLLP-UHFFFAOYSA-N 417.694 4.699 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cccs2)N1 587720864 OHOMZQZKLRTZAD-VVVCHXIZSA-N 418.278 4.652 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC(F)F)c2)N1 587722727 ZNECVHQENMRGOL-VPTHRUTESA-N 404.201 4.952 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587740831 FQNBPSLURWNNCF-SZNDQCEHSA-N 419.338 4.983 0 1 HJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1 587763727 LQXUJMCWQSCNSA-RRBXVBTKSA-N 406.343 4.946 0 1 HJAF COc1ccc2c(c1)OCC([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 587835598 QJQXOEAYMHLDOW-YBTHPKLGSA-N 404.279 4.648 0 1 HJAF CCS(=O)(=O)c1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2c1 587935473 LPTGHPBUPUZWSJ-UHFFFAOYSA-N 410.539 4.615 0 1 HJAF CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905440 PQLOOECUAPSKMD-GSLIJJQTSA-N 419.496 4.835 0 1 HJAF CC(=O)Oc1ccccc1[C@]1(c2c(C)cccc2C)NCCc2c1c(C(C)C)nn2C 962914215 DJEXSERDFXUBTO-AREMUKBSSA-N 417.553 4.523 0 1 HJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21CCCc2ccc(Cl)nc21 962964280 ZVZNPAWMBVCJKG-OAQYLSRUSA-N 422.878 4.985 0 1 HJAF Cc1ccc([C@@]2(c3ccc(F)c(F)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1F 963025080 JJWCVMFCLKTYME-MQNRADLISA-N 422.450 4.758 0 1 HJAF COc1cc([C@@]2(CC(C)(C)C(=O)O)c3c(F)cccc3C[C@H]3CCCN32)ccc1C 963100602 KHRJXRFJBDIRTB-CLOONOSVSA-N 411.517 4.908 0 1 HJAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1 1772586096 GXMWXTXGYXFVDJ-FYWRMAATSA-N 408.542 4.992 0 1 HJAF O=C(c1ccccc1)c1ccccc1NC(=O)c1cccnc1NCc1ccncc1 1772646008 GMHWZINEIWHLNL-UHFFFAOYSA-N 408.461 4.572 0 1 HJAF C[C@@H](NC(=O)N1C(=O)C[C@H]1Sc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 1857535436 FXWWYLBLFPYVNL-LDYMZIIASA-N 416.371 4.503 0 1 HJAF N[C@@H](COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 1857623834 AQDWLHMFJHACCX-LJQANCHMSA-N 404.901 4.731 0 1 HJAF CC(=O)N1CC[C@H]2[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 1857767000 SKOLIGYYXMHNCK-JWPQATDFSA-N 408.586 4.689 0 1 HJAF CO[C@@H]1CC(=C2C=CC=N2)N[C@]12O[C@H](C)C[C@H]1CCCCCCCc3ccc([nH]3)[C@H]12 2356340667 VCQKVUNLUXMOER-OAGFFBCLSA-N 409.574 4.977 0 1 HJAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@@H]1O 2356344594 CESZWWHNRSDDNY-QXUYBEEESA-N 416.599 4.796 0 1 HJAF CC1(C)CCC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)NC(=N)NC[C@@H]2[C@]1(C)C[C@H]3O 2356625591 RQEHMIXSAUDXKZ-IEXSNGAASA-N 413.650 4.983 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)Cc5ccccc5)sc4C[C@@]3(C)CC[C@H]12 2356635767 JXYDNPFWKZLFPR-SIWWNLQDSA-N 424.566 4.578 0 1 HJAF COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3ccc(C)cc3)n2c1 72136229 ZJYUHOOWRWRYDZ-UHFFFAOYSA-N 416.477 4.704 0 3 HJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/I 13556097 DQQMDOLPKAVVIE-XTJNFZKPSA-N 424.322 4.928 0 1 HJAF COc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C 13782446 CEQZTVDVWMGLDZ-UHFFFAOYSA-N 414.527 4.966 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3F)CC[C@@H]12 26965317 NMPUFHPNLBRJGC-LPVOWSSQSA-N 410.533 4.678 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](C4=CC(=O)O[C@H]4O)O[C@@]3(C)CC[C@H]21 38838149 NSNPNVMHENRPQH-WQFJBTGOSA-N 402.575 4.995 0 1 HJAF COc1ccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Br)cc32)cc1 40567899 HOEMUOSZMPZXPX-INIZCTEOSA-N 405.292 4.882 0 1 HJAF CCC1(CC)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(F)c(Cl)c2)C1=O 80021953 DEEWRMXNPAVAAU-UHFFFAOYSA-N 422.905 4.909 0 1 HJAF COc1cc2nc(N(C)Cc3ccccc3)nc(NCc3ccccc3)c2cc1OC 82126452 BVQYZIWZWNMUDC-UHFFFAOYSA-N 414.509 4.896 0 1 HJAF CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3Cl)n[nH]c2cc1O 84713153 FHZQGSMRKDLGLN-UHFFFAOYSA-N 405.885 4.785 0 1 HJAF COc1cc(OC)cc([C@@H]2[C@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 95592163 CSOKZZVRUVPVHH-SONWIMMPSA-N 406.478 4.684 0 1 HJAF O[C@H](CCN1CCN(c2ccc3ccccc3n2)CC1)c1csc2ccc(F)cc12 95607491 SKZALCXJWOZPOG-JOCHJYFZSA-N 421.541 4.834 0 1 HJAF CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(=O)O)c(C)c1O 169351445 JUJXMFHCVVWQIP-UHFFFAOYSA-N 416.470 4.628 0 1 HJAF CCCc1cc(OC(=O)c2c(CCC)cc(OC)c(Cl)c2O)cc(O)c1C(=O)O 238738080 WVJIULQLWBXJKO-UHFFFAOYSA-N 422.861 4.582 0 1 HJAF C=Cc1ccc(-c2nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3[nH]2)cc1 586880535 MFBPPCGYKIEAOP-UHFFFAOYSA-N 405.479 4.682 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C2 586888993 ZHCAHSRBEDSSKD-LPEHRKFASA-N 415.209 4.863 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586915868 IUSGCOOZOIGPQW-VOJFVSQTSA-N 420.694 4.590 0 1 HJAF Cc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1Br 586978678 AZJNDGOSMBLBOE-UHFFFAOYSA-N 416.504 4.815 0 1 HJAF Cc1nc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1Br 587005274 QQWBFRKASLVKRY-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1 587019652 SHNJMXWBWUAHIB-UHFFFAOYSA-N 419.297 4.956 0 1 HJAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023565 MGRVOMGNAFSGGB-UHFFFAOYSA-N 406.286 4.876 0 1 HJAF Nc1c(-c2nc3cc(Br)ncc3[nH]2)sc2cc(Br)ccc12 587030285 CIDXIRJEIFYKGQ-UHFFFAOYSA-N 424.121 4.947 0 1 HJAF Cc1c(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1C 587085069 NGAFQSXBFPUIIK-UHFFFAOYSA-N 420.742 4.770 0 1 HJAF N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587156400 NBVQOFWNSKSTRJ-MGPLVRAMSA-N 414.200 4.825 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ncco2)[C@@H]1c1ccc(F)cc1 587332423 ADCIQNKENLFNCE-ZJSXRUAMSA-N 401.393 4.822 0 1 HJAF CC(=O)N(C)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587338076 PLODCZSFVTZCGF-NOZRDPDXSA-N 419.452 4.788 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587399080 IJYHGPBUFGGWPE-RUZDIDTESA-N 401.462 4.911 0 1 HJAF COC(=O)c1ccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587441742 HIGGPGDWXLIABF-YKSBVNFPSA-N 400.430 4.638 0 1 HJAF CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512665 OBJDXLGUOFSCRR-RUZDIDTESA-N 407.510 4.951 0 1 HJAF CC[C@@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605646 AKYUKTZUHWQJOP-DHLKQENFSA-N 402.446 4.984 0 1 HJAF CN(C)C(=O)Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612026 ILXSLZOTPAAERO-SIKLNZKXSA-N 421.474 4.869 0 1 HJAF Cc1cc(Br)ncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587678462 CNUWUXNOQPLVKC-JDNHERCYSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N1 587695711 JFHLTRPHNZXMQO-FVMDXXJSSA-N 422.685 4.915 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c(F)cc(F)cc32)N1 587737997 JDZUXDMKBPNXBS-DGIBIBHMSA-N 412.249 4.817 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795553 YGTWSVQYTLRXJS-WVDJIFEKSA-N 423.326 4.844 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc3c(c2)OCCO3)N1 587833612 GSIWKYOCUBYROZ-WBMJQRKESA-N 406.295 4.568 0 1 HJAF Oc1cc(Cc2ccccc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587945243 JCVHHOVECHWLAA-UHFFFAOYSA-N 413.836 4.505 0 1 HJAF CCc1ccc([C@]2([C@H]3CCC[C@H]3C(=O)O)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614180 WRJIFGYHGWTUFQ-JOAORWEFSA-N 423.553 4.545 0 1 HJAF CC1=CC[C@H](O)C(C)(C)[C@@H]1Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 1857573535 TVIWYEOVRUMFAV-OIBXWCBGSA-N 408.494 4.700 0 1 HJAF CCC[C@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712201 KFCHLFRUVRVBTE-QTDGGUCWSA-N 402.966 4.810 0 3 HJAF CN(CCOc1ccc(C[C@@H](C(=O)O)c2ccccc2)cc1)c1nc2ccccc2o1 26188834 QFKADBAIEKWLFI-OAQYLSRUSA-N 416.477 4.754 0 1 HJAF O=C1NC(=O)[C@@H](Cc2ccc(C(=O)CCc3csc(-c4ccccc4)n3)cc2)S1 29487481 FEPYJTDPVRFQNC-LJQANCHMSA-N 422.531 4.520 0 1 HJAF C[C@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088080 KGFRQVJXQKRIGD-RGAJYYFASA-N 402.538 4.733 0 1 HJAF CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(Cl)cccc23)on1 40406875 NGFQCTCHXNNLLJ-UHFFFAOYSA-N 400.740 4.651 0 1 HJAF O=S(=O)(Cc1ccccc1F)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc12 59242730 OVJYYXMYQCISTQ-DEOSSOPVSA-N 420.509 4.785 0 1 HJAF Fc1ccc(N2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 72182136 MLGBOXWBVJTLFU-UHFFFAOYSA-N 405.395 4.822 0 1 HJAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@H]32)cc1 98082681 GYSZPADNYBFYBK-ZCYQVOJMSA-N 419.488 4.675 0 1 HJAF C[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102072293 PIORQFHAMSBSER-BVGQSLNGSA-N 418.331 4.538 0 1 HJAF C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 105185617 WCZILEKOMSKCAJ-SSOMFZRPSA-N 422.548 4.905 0 1 HJAF COc1cccc(F)c1-c1cc([C@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 219465620 GAZDWOGJKIZCKP-AWEZNQCLSA-N 424.350 4.818 0 1 HJAF COc1cc(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)ccc1-c1cn[nH]c1 221714695 NYBYRRGDBUNJMV-UHFFFAOYSA-N 409.795 4.688 0 1 HJAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(C5CCNCC5)n4)cc32)[nH]1 221762993 ISDRBJIUTNDFDB-WQRHYEAKSA-N 404.539 4.715 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)c1ccc(Br)cc1 586986496 YBQBHGANNFGONX-HNNXBMFYSA-N 406.711 4.707 0 1 HJAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 587039874 WLHCNSQAWLPGRL-UHFFFAOYSA-N 403.361 4.586 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(C)cc1 587205592 CKVVTDSHUKLEPI-KRWDZBQOSA-N 400.320 4.671 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452521 DOTAFFRXGWHYMI-SWHJIRTISA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(NC)c21 587470508 OOVUGNRSYAHHTQ-AREMUKBSSA-N 413.473 4.840 0 1 HJAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCCC(=O)O 587520524 DTWSTYCCVQVLQU-VWLOTQADSA-N 424.493 4.698 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(Cl)c1 587540647 BGCLWRXGRCYLEO-NFBKMPQASA-N 418.836 4.934 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Br)c1 587568974 GSWPWRSIPGRWEO-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cnccn2)cc1 587584742 AHOSRFKLXIOJDK-XUZZJYLKSA-N 412.401 4.677 0 1 HJAF COc1cc(C)c(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587590253 BFDCJMATORJIOJ-WIOPSUGQSA-N 420.461 4.681 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1 587723826 CJZLPUYZPXLPEN-NSPYISDASA-N 404.258 4.537 0 1 HJAF Cc1nc2ccccc2nc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587779961 WZDIYRLZXDYWMD-GIPWTMENSA-N 400.295 4.638 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCOCC3CC3)[nH]c12 587784360 QXDXVXRPVOFNKP-UHFFFAOYSA-N 403.404 4.803 0 1 HJAF CCOC(=O)C[C@]1(CC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587793438 FFVQILRCXFVNKS-CWTRNNRKSA-N 400.332 4.707 0 1 HJAF CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798509 ORBIMRFDELUFRV-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF CCOc1c(OC)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587803594 XPCJCAWZFAYOIQ-WYRIXSBYSA-N 424.310 4.628 0 1 HJAF COc1cc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587810096 WILBIQKNNCXATI-FKIZINRSSA-N 408.311 4.685 0 1 HJAF CC[C@H](C)Sc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587840845 NAGYACRGTBMEHO-VGTOOOLASA-N 410.356 4.892 0 1 HJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(I)c2[nH]1 587928250 ZRMDGSFPCUOJMM-GFCCVEGCSA-N 422.266 4.727 0 1 HJAF COc1cccc([C@@]2(O)c3ccc(-c4ccccc4OC)cc3CC[C@@H]2CN(C)C)c1 653813272 AJNIPXNNPYMTDH-AMGIVPHBSA-N 417.549 4.731 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1ncc(C(F)(F)F)cc1Cl)N(C)[C@H](C)C2 962574133 SVQSYFKVZVDDDU-NSPYISDASA-N 414.855 4.911 0 1 HJAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCC[C@@H](c3ccccc3)C2)N1 962636975 QCCIUPPRAAUDCC-VMRPVKRXSA-N 405.416 4.737 0 1 HJAF CC(C)[C@@H]1CCc2ccccc2[C@]12N[C@H](C(=O)O)Cc1cccc(OC(F)(F)F)c12 962646727 XBXCIIZZTNVBDT-SGXKBVARSA-N 419.443 4.646 0 1 HJAF Nc1cccc(Br)c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962695808 FMTMJTCAFXEKPS-BUXKBTBVSA-N 407.352 4.623 0 1 HJAF CC(=O)Oc1ccccc1[C@@]1(c2cccc(C)c2C)NCCc2c1c(C(C)C)nn2C 962925578 ZRPJQLQUHPWWLC-AREMUKBSSA-N 417.553 4.523 0 1 HJAF CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(N)=O)[C@@H]2[C@@H]1O 1857748047 KJFJCFBIBGBVKO-ZWECCWDJSA-N 419.650 4.515 0 1 HJAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(OC(C)C)cc4)ccc32)cc1 1857771470 YIEYFAOUUYBIEG-UHFFFAOYSA-N 401.462 4.879 0 1 HJAF CO[C@@H]1O[C@]2(OC)CC[C@H](C)[C@@H]2[C@H]2[C@H]1[C@H](OC(C)=O)C[C@H]2C(C)=CCC=C(C)C 2356432446 AYMKZCCQRACJSK-RGVAKPBFSA-N 406.563 4.865 0 1 HJAF CO[C@@H]1OC(=O)C2=C[C@H](OC(=O)C=Cc3ccccc3)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]21 2356456535 IJBOCWFTWIQMQW-FNQNERLXSA-N 410.510 4.530 0 1 HJAF CC1=C(CCC(=CC[C@H](O)C2=CC(=O)OC2)CO)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 2356543412 QNKXTVCLBCSBNT-WRALFONMSA-N 402.575 4.862 0 1 HJAF COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1ccccc1OC 4880633 HRAMGBTYSZBJNC-UHFFFAOYSA-N 413.905 4.886 0 3 HJAF CC(C)N1C[C@@]2(CC(c3ccccc3F)=NO2)CN1C(=O)c1ccc(C(C)(C)C)cc1 61920891 RMLNFIMPKUGQHG-VWLOTQADSA-N 423.532 4.768 0 3 HJAF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1 767191 MTLJQVXKVYFBHK-GGAORHGYSA-N 402.494 4.985 0 1 HJAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13542731 HYXUDBBVUZEPTI-QKWYZMCSSA-N 411.380 4.903 0 1 HJAF biogenic CCN(CC)CCCNC(=O)/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)OC 13555338 QZHLOJGOYSUBAK-PSHJVPLCSA-N 424.372 4.866 0 1 HJAF N[C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1 14962206 NEHWSPJUDZLKNN-NRFANRHFSA-N 421.504 4.636 0 1 HJAF COc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1OC 29209868 YILRBOLKDDWRKU-UHFFFAOYSA-N 411.465 4.789 0 1 HJAF CC(C)[C@H](CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O 43010962 ATAYILSOPBDUTC-MHLWUJJFSA-N 422.569 4.736 0 1 HJAF COc1ccc2c(c1)[C@@H](C)N(c1nc(C(=O)c3ccc(F)cc3)nc(C)c1C)CC2 64539270 HYWJOTVFIBPRQG-MRXNPFEDSA-N 405.473 4.596 0 1 HJAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2csc3ccccc23)n1 84705436 LMSQAXLXANNPDC-UHFFFAOYSA-N 420.563 4.687 0 1 HJAF O=Cc1ccc(-c2cccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c2)cc1 101172087 NWFWXBOQDZIHPA-UHFFFAOYSA-N 411.457 4.776 0 1 HJAF O=C1C2=C(CCCC2)[C@H](O)N1c1cc(OCc2cccc(F)c2)c(Cl)cc1F 103208632 SXTYZJAGZOXQQJ-FQEVSTJZSA-N 405.828 4.733 0 1 HJAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccccc1OC)CCCCC3 103223288 HNAVIKSKUJRFAB-UHFFFAOYSA-N 405.498 4.642 0 1 HJAF CC1(C)CNc2cc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)ccc21 146755060 FAHCLKAGOJKRSC-UHFFFAOYSA-N 406.921 4.534 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)C5CCCC5)sc4C[C@@]3(C)CC[C@H]12 253656823 ZNSKOGGQUHKREZ-RBQSZOHBSA-N 402.560 4.525 0 1 HJAF C[C@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1 253687118 ICOAPDOBTUNNPQ-WDSOQIARSA-N 419.577 4.796 0 1 HJAF O=C(O)Cc1c(-c2cc(F)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986926 RGSUZLYLQULAJA-UHFFFAOYSA-N 417.367 4.724 0 1 HJAF Oc1c(Br)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587007285 ZDWWLIRYXYNSBX-UHFFFAOYSA-N 407.065 4.713 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 587166884 CUMILBKZVWJBCW-HNNXBMFYSA-N 421.245 4.973 0 1 HJAF COc1cccc(COc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc2OC)c1 587401734 XLTQEDWFLMJXGP-HSZRJFAPSA-N 419.477 4.880 0 1 HJAF O=C1C[C@]2(CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587511903 AJFZISKNFRQTOK-VWLOTQADSA-N 405.494 4.702 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(O)ccc1Oc1cccc(O)c12 587530773 HAFUUNGHNBNYCJ-VWLOTQADSA-N 400.430 4.991 0 1 HJAF C[C@]1(Cc2nc3ccccc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619970 WITQTCPBOCKCEQ-NFBKMPQASA-N 403.459 4.965 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(C(F)F)cc(C2CC2)n1 587658515 NWAKDTBNJGMESD-UHFFFAOYSA-N 408.383 4.797 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccccc2)N1 587763067 HRSFNBBSWVHFPK-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587824934 DOAHJHGDGRUQMZ-SGMNNIIASA-N 410.327 4.619 0 1 HJAF COc1cc(C)ccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862345 KYSLZNVXUZPSPI-UHFFFAOYSA-N 420.387 4.614 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(Br)cc1 587866579 GPENIDSDAFAXEW-UHFFFAOYSA-N 412.209 4.783 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)cc1Cl 587867053 RFKXSBUAKGPUTA-UHFFFAOYSA-N 416.186 4.968 0 1 HJAF CCS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O 653866613 LBQHONRAILKZQQ-UHFFFAOYSA-N 423.705 4.790 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1c(C)nn(-c3ccc(F)cc3)c1C)N(C)[C@H](C)C2 962563333 FWCWQRWVUWFENW-JBEBIEQOSA-N 409.505 4.611 0 1 HJAF COC(=O)c1[nH]c2cc(OC)ccc2c1[C@@H]1c2ccsc2CCN1Cc1ccco1 962709591 OCWQTYJZBXSWNV-QFIPXVFZSA-N 422.506 4.765 0 1 HJAF CCC[C@@]1(c2cn(CC)nc2C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951890 JGVXWVUVMMVHNU-JOCHJYFZSA-N 421.507 4.925 0 1 HJAF Cc1ccnc([C@]2(c3ccc(Cl)cc3Cl)NCCc3nc4ccccn4c32)c1 962988254 XPORIILWZZMWOY-QFIPXVFZSA-N 409.320 4.782 0 1 HJAF CC(C)=CCc1c(OCC=C(C)CC[C@@H](O)C(C)(C)O)ccc2ccc(=O)oc12 2356421370 HFVGVWQMPVMMDR-OAQYLSRUSA-N 400.515 4.539 0 1 HJAF CC(C)N1CCc2c(sc(NC(=O)C(F)F)c2-c2nc3ccccc3s2)C1 36381554 VPTSFXDCXJGRBR-UHFFFAOYSA-N 407.511 4.995 0 3 HJAF COc1cccc2c(C(=O)N3CCN4CCCC[C@H]4C3)cn(CC3CCCCC3)c12 3928954 NTIFEVGVXWYYHK-FQEVSTJZSA-N 409.574 4.541 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c2c1C(=O)Nc1c(CC=C(C)C)ccc(O)c1[C@@H]2O 6069898 FJWQQVOUWHGXSF-HSZRJFAPSA-N 423.509 4.907 0 1 HJAF biogenic Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(O)cc2)[nH]c1=O 13677549 UMWDFJCTWDWNIA-UHFFFAOYSA-N 407.322 4.974 0 1 HJAF O=c1[nH]c2c(cc1CNC1CCCCC1)c(-c1ccc(F)cc1)nn2-c1ccccc1 26440833 VENJYILJLWXXDA-UHFFFAOYSA-N 416.500 4.942 0 1 HJAF O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 34642064 QRIOHHDYJDFPEK-UHFFFAOYSA-N 411.549 4.620 0 1 HJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)cc1OC 35103056 DDEVDXKOTCTQPW-KOVSNXQUSA-N 402.531 4.773 0 1 HJAF biogenic C=CCONC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 36401600 MSANACCDWLUWHO-ACCUITESSA-N 411.465 4.719 0 1 HJAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C(F)(F)F)c3)C[C@H]1C=N2 49808359 KOBJHOPWUXABCN-HNNXBMFYSA-N 402.372 4.694 0 1 HJAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C1 82217052 FEEYCIMMQCJYJO-QZTJIDSGSA-N 410.537 4.924 0 1 HJAF COc1ccc(-n2nnc(CCCN3c4ccccc4Sc4ccccc43)n2)cc1 84669118 ZHCGTRCSZYTVFO-UHFFFAOYSA-N 415.522 4.906 0 1 HJAF COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CCCCC1)[C@@H](CO)N2 95878813 CYCCLRLTJGJAOG-ZWSUVBHBSA-N 420.553 4.619 0 1 HJAF O=C(NCCCc1ccccc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103897740 DGMVRDRJIXJHRT-UHFFFAOYSA-N 402.523 4.564 0 1 HJAF CN1Cc2ccc(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc2NC1=O 143467121 VQOWOAOHUAFNPU-LJQANCHMSA-N 406.486 4.622 0 1 HJAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCCCCC1 169720803 XKTHQCXRSXSLFT-RBUKOAKNSA-N 405.329 4.904 0 1 HJAF Fc1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006390 IGVYXWBIAZASJZ-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF Cc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br 587089023 WASCIKGUUQOBSG-UHFFFAOYSA-N 400.871 4.503 0 1 HJAF Cc1cc(Br)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 587132050 HYTNYSPXPLQNSN-SNVBAGLBSA-N 416.266 4.603 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)ncc4[nH]3)cc2)cc1F 587147200 FUWIOZVYKHZOEV-UHFFFAOYSA-N 408.864 4.758 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587150229 BJEQGVLVGFYVPQ-WDEREUQCSA-N 407.214 4.661 0 1 HJAF CCC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350995 SSLQWNRBVKOOCQ-RUGFAHKUSA-N 400.446 4.771 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(C(=O)O)CC2)[C@H]1c1ccc(F)cc1 587354969 SDTUZASBZGNIJA-OFVILXPXSA-N 418.420 4.651 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(C)ccn3c1Br)CC2=O 587459877 QINZHIRPMKMGFK-MRXNPFEDSA-N 415.287 4.770 0 1 HJAF Cc1cccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Br)n12 587497241 LYEVIUOHFAFTOW-KRWDZBQOSA-N 411.299 4.991 0 1 HJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1O 587500677 UNQXOXWAYSFPNE-GOSISDBHSA-N 403.272 4.749 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587581626 WTAAOGGJWXHGAS-RCZVLFRGSA-N 417.461 4.758 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cc(O)ccn2)c1 587589416 VOLMHCGKSCFWFF-DHLKQENFSA-N 411.413 4.863 0 1 HJAF O=C(c1ccc2ccccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655615 AZSXZFHIZKYFQY-UHFFFAOYSA-N 413.383 4.578 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cncc2Br)N1 587734862 SCMTZJSXJZYEPU-MLXNANBUSA-N 418.079 4.508 0 1 HJAF COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(OC)c1O 587787830 WZXXHWRVYIEHBV-UHFFFAOYSA-N 407.264 4.502 0 1 HJAF CCOC(=O)C[C@]1(CCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792788 CXFJINTUIJGOIY-YJYMSZOUSA-N 400.332 4.707 0 1 HJAF CCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800847 ZYRSYGFMEBOEBZ-BBEJJTJUSA-N 400.332 4.707 0 1 HJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813334 UYLQUMIKAYUEOM-ODXCJYRJSA-N 406.295 4.701 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC)cc1O 587859564 ZYNWTCWIJPYCIR-UHFFFAOYSA-N 407.253 4.658 0 1 HJAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587944201 CQSMJLDCWLWTCS-UHFFFAOYSA-N 410.493 4.947 0 1 HJAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cccc3c(F)cccc23)N1 962622155 BATSPIMOILICSO-RBUKOAKNSA-N 405.347 4.566 0 1 HJAF CN1CCc2ccc(Nc3nnc(-c4cc(-c5cccnc5)ccc4F)o3)cc2C1 1772653577 FDHLHBRLHUKBSJ-UHFFFAOYSA-N 401.445 4.669 0 1 HJAF COc1cc(OC)c(-c2cn3ccc(C4=CCN(CCF)CC4)cc3n2)cc1Cl 1857533814 LSLLGBDVYUJLLR-UHFFFAOYSA-N 415.896 4.731 0 1 HJAF COc1ccc(CN2c3ccc(NS(=O)(=O)C4CCCCC4)cc3C[C@@H]2C)cc1 1857569911 JBKRXOHCWVHXAG-KRWDZBQOSA-N 414.571 4.721 0 1 HJAF CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1 1857654836 YDZJMCXNMUGNRL-NRFANRHFSA-N 420.948 4.711 0 1 HJAF CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OCC(=O)C(C)C)c1O 2356615263 BQNHNSQWEYHRLI-UHFFFAOYSA-N 424.493 4.562 0 1 HJAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cc1 13487281 WTLNHFXUBOSLJG-UHFFFAOYSA-N 406.459 4.539 0 1 HJAF O=C(CC[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)OCc1ccccc1 13860457 IORGHPPXRULNJE-QFIPXVFZSA-N 416.452 4.507 0 1 HJAF C=C[C@]1(C)C[C@](O)([C@@H]2O[C@@]2(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21 14823604 DWOGRBCRLCTXJF-ZKGSSEMHSA-N 410.510 4.920 0 1 HJAF biogenic CCCc1cc(N)c2cc(C(=O)NCCc3ccc(C(F)(F)F)cc3)ccc2n1 36351942 UGJFUFYWKAVXFZ-UHFFFAOYSA-N 401.432 4.761 0 1 HJAF CCCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1 36470984 LTEYIYVUZFVJDE-WOJBJXKFSA-N 402.922 4.614 0 1 HJAF Cc1nc2cc(NCc3ccc(Cl)cc3)ccc2n1S(=O)(=O)c1ccccc1 49808127 ORPKIDKKFCCNHN-UHFFFAOYSA-N 411.914 4.847 0 1 HJAF CC(C)n1nc(-c2ccc3nccc(NC(=O)OC(C)(C)C)c3c2)c2c(N)ncnc21 64746590 XEFOGCQNLWUZGB-UHFFFAOYSA-N 419.489 4.552 0 1 HJAF Cc1cc(C(F)(F)F)nn1C[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2 72116596 QYAZFPSPLQVWMZ-IAGOWNOFSA-N 404.263 4.839 0 1 HJAF CC(=O)O[C@H](/C=C(\C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)C/C(C)=C/CCc1ccoc1 72139951 RGTRQKDHOCMNQZ-PRBWFTGVSA-N 418.530 4.663 0 1 HJAF O=C(/C=C/c1ccc(F)cc1)Nc1nnc(-c2ccc(Br)cc2)s1 82157988 DQLHICXJIRKRQL-XCVCLJGOSA-N 404.264 4.759 0 1 HJAF CC(C)(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82180086 QQMPYNUDPKIPIJ-IBGZPJMESA-N 407.562 4.639 0 1 HJAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 103995767 GHXBBSITLNDJGJ-KSFYIVLOSA-N 411.498 4.616 0 1 HJAF COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccc(C)n1 104689704 TTXPJCBYIUOSAC-JOCHJYFZSA-N 403.482 4.846 0 1 HJAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccccc1-c1ccccc1 117585395 DERNLJGFKXVIET-UHFFFAOYSA-N 401.510 4.865 0 1 HJAF O=C(O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2F)cn1 143173925 GQLDAOXGONWVQE-UHFFFAOYSA-N 421.359 4.651 0 1 HJAF CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1 144675530 XQEFOQFUHGWPSD-UHFFFAOYSA-N 403.486 4.836 0 1 HJAF COc1ccccc1[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 169319866 XHWNLNIUPOSHFK-RGODFAACSA-N 411.545 4.964 0 1 HJAF Cc1cc(OCC2(C(=O)O)CC2)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 218550147 DDBLXGSGZDKHCI-UHFFFAOYSA-N 417.387 4.710 0 1 HJAF Clc1ccc(-c2ccc(-c3nccn3-c3ccc(N4CCNCC4)cc3)o2)cc1 299826765 SLLRTLCGZRODTB-UHFFFAOYSA-N 404.901 4.862 0 1 HJAF Cc1ccc(C2=Nc3c(N)ncnc3N[C@@H](c3sc(Cl)nc3Cl)C2)cc1 299854659 AFQBGJZSKGSXJP-LLVKDONJSA-N 405.314 4.808 0 1 HJAF O=C(O)c1ccccc1/C=C\c1nc2cc(Br)c(Br)cc2[nH]1 586882517 WOSJDTFNWDQZRE-WAYWQWQTSA-N 422.076 4.957 0 1 HJAF O=C(Nc1nc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cs1)c1cccs1 587019956 UQILXGQQPXXEMS-UHFFFAOYSA-N 424.429 4.823 0 1 HJAF CN(C)C(=O)COc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104021 METFHFHDWXIWMY-UHFFFAOYSA-N 408.457 4.580 0 1 HJAF Oc1c(Br)ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587131719 BQWVMOSGMFXJFO-DAFODLJHSA-N 405.120 4.897 0 1 HJAF Fc1ccc(-n2nnc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2C2CC2)cc1 587168287 HOAZSGWFBQXGFI-UHFFFAOYSA-N 403.339 4.726 0 1 HJAF Cn1nccc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337516 BAYXFWQQALBNLS-LZGLPUDESA-N 406.457 4.720 0 1 HJAF COc1ccc(C=O)cc1COc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401358 WFWIZVTYXGCUBO-DEOSSOPVSA-N 417.461 4.684 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCC1OCCCO1)(c1ccccc1Cl)[C@@H](C2)C3=O 587422788 ZXUMFVXFMFFGNK-SBUREZEXSA-N 414.885 4.535 0 1 HJAF COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587510519 LABQHVWSCYUKPW-UPCLLVRISA-N 417.546 4.609 0 1 HJAF C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516684 DPPBBVKWZGDBAX-QYBDOPJKSA-N 419.521 4.948 0 1 HJAF C[C@@]1(CCc2ccc(OCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523710 OTIAOYCSPYRQAM-RUZDIDTESA-N 408.494 4.776 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ncc[nH]1 587546143 IOGSKHZRJGZVRO-AUSIDOKSSA-N 418.836 4.674 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COCC(F)(F)F)o1 587546464 JZZOIAOCQDRSLG-XLIONFOSSA-N 420.339 4.767 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(CCOCc4ccccc4)[nH]c3c2)cc1 587566201 AEZJWFZCCJVYAT-UHFFFAOYSA-N 402.450 4.901 0 1 HJAF COc1ccc(OC)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600646 OVLISCYAOGVXJY-DHLKQENFSA-N 418.445 4.603 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1 587710802 FHKRMBOUCFNCOV-BCTVWOGZSA-N 419.216 4.505 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587730658 JWLAVPDHDXVQGK-UGZDLDLSSA-N 422.248 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1 587737117 CUARNWPLTGUEFR-MPBGBICISA-N 422.317 4.520 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCCN(C)C)N1 587742220 QKXRXMPBUVYIQP-LHSJRXKWSA-N 421.354 4.542 0 1 HJAF Cc1nccn1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587759256 ZTFZEZUIWUKRDF-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC=C2OCc2ccccc2)N1 587840285 XYWPOIAFMMJBOM-SZNDQCEHSA-N 416.290 4.920 0 1 HJAF C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873870 KTGYJKYLAMZZDK-SNVBAGLBSA-N 408.307 4.801 0 1 HJAF CC1=C(c2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)NNC(=O)C1 587950531 RTMFYCGNJFJCTE-UHFFFAOYSA-N 410.477 4.702 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961049 HWVBCPDICAPCDE-UHFFFAOYSA-N 419.550 4.851 0 1 HJAF Cc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2cccs2)cc1 618006794 JOTFCQFZFOJXTR-UHFFFAOYSA-N 414.552 4.507 0 1 HJAF COc1ccc(CCN(CCc2ccc3c(c2)OCO3)Cc2ccccc2)cc1OC 653768989 ZNUXFDOCRFUTSK-UHFFFAOYSA-N 419.521 4.720 0 1 HJAF OCCOc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(Br)c1 962668548 QDJFULJFWPPCKD-QHCPKHFHSA-N 424.338 4.722 0 1 HJAF CC1=C[C@H](c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)[C@@H](C(C)(C)O)CC1 2356394506 CBHRGXJCSVCIOR-APWZRJJASA-N 422.477 4.788 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)CC[C@@H]2Cc3occ(C)c3C[C@]12C 2356461912 YZUPVNWKUPXHAT-ISYUWZRGSA-N 400.515 4.859 0 1 HJAF CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 756218 NOMAHSYVCXGTLE-HSZRJFAPSA-N 420.553 4.964 0 1 HJAF CC(C)Sc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528625 AHJYHOHEXCMRCC-UHFFFAOYSA-N 400.521 4.878 0 1 HJAF CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc23)CC1 13611770 WUSDVPWNSLONFH-UHFFFAOYSA-N 419.550 4.931 0 1 HJAF Cc1c(OCc2ccc3ccccc3c2)ccc2c(=O)cc(N3CCOCC3)oc12 13832070 DPKBRSZJTNFFSH-UHFFFAOYSA-N 401.462 4.670 0 1 HJAF O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1OC(F)(F)F 28571635 XZRLVGBZHCJDPS-AQNXPRMDSA-N 421.459 4.611 0 1 HJAF Cc1cc(C(=O)c2ccc(Br)cc2)ccc1OCCN1CCCCC1 40429500 SKNQQEUMMOBPIZ-UHFFFAOYSA-N 402.332 4.853 0 1 HJAF CC(C)(C)c1ccc(OCc2nc3cc(C(=O)NCc4ccco4)ccc3[nH]2)cc1 95563325 FUCPJOMMNVJFCV-UHFFFAOYSA-N 403.482 4.962 0 1 HJAF CCCN(CCC)C(=O)CC1=C(c2ccc(Cl)cc2)N[C@H]2C=CC(Cl)=CN12 100046034 FHXPNORUCCBOCX-LJQANCHMSA-N 406.357 4.929 0 1 HJAF c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(C4CCOCC4)cc3)c2n1 140614246 WZPXYZKKCFFWMJ-UHFFFAOYSA-N 410.481 4.910 0 1 HJAF C[C@H]1c2ncn(-c3ccccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 218426184 OGZKVSNRBCPRRL-LBPRGKRZSA-N 420.822 4.699 0 1 HJAF NCCOc1ccc(/C(=C(\Cn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1 299862986 OGGUDPCKGYFJRT-OCEACIFDSA-N 411.505 4.586 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586971971 CKCLBUBSIGUFBV-INIZCTEOSA-N 411.424 4.831 0 1 HJAF Nc1c(-c2nc3c(Br)ccnc3[nH]2)sc2cc(Br)ccc12 587029079 HFNZLJYMHRYLSY-UHFFFAOYSA-N 424.121 4.947 0 1 HJAF Cc1nc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1Br 587090947 CHEVITVXSDLGRK-UHFFFAOYSA-N 403.227 4.745 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2ccnc(Br)c2[nH]1 587136757 MDNXBEWAOYWNGD-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587239976 PMVDQQCGBBZPFU-NYFKNOIKSA-N 403.498 4.565 0 1 HJAF O=C1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2N1 587337929 SJOMMRMVTZWOBB-UPVQGACJSA-N 421.399 4.657 0 1 HJAF COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)ccc1Cl 587421007 KIOUYSGSEQQTSD-IVZQSRNASA-N 424.836 4.884 0 1 HJAF CCOc1ccc(OCc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455695 PLPLWKDOJCTKCF-DVECYGJZSA-N 406.434 4.755 0 1 HJAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602210 XHKGUMRORRAZAE-PZQJFTFDSA-N 402.446 4.851 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2Br)N1 587682514 ZOADLRLLNNHPAN-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O 587698651 ZHSZJFHAOKVFDS-VPTHRUTESA-N 400.675 4.579 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)c(F)c2)N1 587726761 ZOVBWIBKTJBOEK-JEOXALJRSA-N 404.258 4.537 0 1 HJAF CCOC(=O)C[C@@]1(CCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792775 CXFJINTUIJGOIY-BFUOFWGJSA-N 400.332 4.707 0 1 HJAF COc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805661 HBSAOBZGCOVKFJ-FKIZINRSSA-N 408.311 4.712 0 1 HJAF CCCOc1cc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br 587928231 YUDZBXAPIHUZCR-UHFFFAOYSA-N 405.292 4.722 0 1 HJAF CO[C@H](C)COC1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 587952555 TVEVZIDMCBFTES-KPPDAEKUSA-N 403.267 4.681 0 1 HJAF CC(C)CCn1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962636733 OIRNPOONEFISRM-OZXSUGGESA-N 400.570 4.766 0 1 HJAF Cc1cccc([C@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)n1 962909406 MCBKKOOGLFGTCF-OFVILXPXSA-N 404.485 4.543 0 1 HJAF CC[C@@H](C)c1ccc(-n2cccc2[C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc1 962924153 NKOYXSXNNZKZDT-IQGLISFBSA-N 401.554 4.928 0 1 HJAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(OCCc3ccccc3)cc2)N1 963238100 VNYPUESTYZEOIQ-IZZNHLLZSA-N 424.500 4.545 0 1 HJAF Cc1nn(Cc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2F)c(C)c1CC(=O)O 1772649811 DWZRROWERNXPRE-UHFFFAOYSA-N 412.852 4.511 0 1 HJAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@H](c2ccsc2)N2C(=N1)Nc1ccccc12 1857561501 XWPSYIQIEDTZLV-ZBEGNZNMSA-N 407.417 4.859 0 1 HJAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccc(OC)c3)ccc21 6354244 BTUIUBCIXNIECP-UHFFFAOYSA-N 402.450 4.619 0 3 HJAF CC(C)C(=O)Oc1c2c(c(OC(=O)C(C)C)c3cc(Cl)ccc13)OCCCO2 603466 IYKJKVZGHAPQSD-UHFFFAOYSA-N 406.862 4.777 0 1 HJAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(O)c1 13446435 NJUPSHUZOVASNE-HXUWFJFHSA-N 407.341 4.537 0 1 HJAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCC[C@H](O)C3)cc12 13454350 HMQKIWOBTLZLLA-NRFANRHFSA-N 421.537 4.856 0 1 HJAF Cc1cc(C)c(C[C@H](N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)c(C)c1 14961712 OXLXYCXLRBZDGD-NRFANRHFSA-N 400.526 4.807 0 1 HJAF CCN(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 26954445 JSVCHYCWIRWLJK-JWQDSGCBSA-N 420.597 4.953 0 1 HJAF CCCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O 27428458 PHPCFJVLGBHXOH-QHCPKHFHSA-N 418.493 4.701 0 1 HJAF Fc1ccc(Nc2nc(NCc3ccnc(F)c3)nc(Nc3ccccc3)n2)cc1 33965647 OSBKFUBDPQDRKX-UHFFFAOYSA-N 405.412 4.644 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 40972900 GTYWVNGLHQVHBJ-FRGGEYDCSA-N 420.528 4.842 0 1 HJAF COc1ccc([C@@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1 42964412 MYCWRRSOZISJTQ-UYAOXDASSA-N 404.919 4.640 0 1 HJAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccco1 45203037 RBXWVLJVUGJZEE-SFHVURJKSA-N 414.864 4.978 0 1 HJAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)Cc4ccccc4)[C@@H]3CC[C@@H]12 78849818 PIZOWAHAZOYXFC-GWGFVPTKSA-N 422.613 4.877 0 1 HJAF COc1cccc(CNc2nc(N3CCC(C)CC3)nc3cc(OC)c(OC)cc23)c1 82125684 DDOMLOCYWIENLR-UHFFFAOYSA-N 422.529 4.504 0 1 HJAF Cc1ccc(-c2nc3c(NCc4cccc(Cl)c4)ncnc3n2C[C@H]2CCCO2)o1 82181263 UGUUUAAAWIKGDG-QGZVFWFLSA-N 423.904 4.839 0 1 HJAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3cccc(Cl)c3)CC2)c1 103291405 MYKHFHBJLVGHEQ-UHFFFAOYSA-N 409.917 4.883 0 1 HJAF O=C1NCCc2nc(-c3ccc(F)c(F)c3)cc(Nc3cccc4ncccc34)c21 116989594 JJEPFUGVOBPADY-UHFFFAOYSA-N 402.404 4.605 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)Sc5ccccn5)CC[C@@H]4[C@@H]3CC[C@@H]12 169323362 IVMOGXVDSLYJFW-OMIMMZKNSA-N 424.610 4.956 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 169368483 HNCAMNUTTBOMFY-LWDIIJGKSA-N 402.623 4.725 0 1 HJAF S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@@H](c2ccccc2Cl)N1 169729971 SNBMRPUEGLCZEG-NARMOILZSA-N 402.350 4.667 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC4CC4)c(C)c3)n3c2CCO[C@H](CF)C3)cc(C)n1 220996197 JEKQTOPNJIBCNC-OAQYLSRUSA-N 421.516 4.989 0 1 HJAF COc1ccc2c(c1O)Oc1ccc(cc1)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 238769949 OBHAUUFTXJOWIW-LMNJBCLMSA-N 423.509 4.741 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 238808964 GRQROVWZGGDYSW-FBVUVRJPSA-N 406.607 4.566 0 1 HJAF O=C(Nc1cccc(-c2cccc(N3CCCC3)n2)c1)Nc1ccc2c(c1)OCO2 299832864 GTWJSXNAWWCMLN-UHFFFAOYSA-N 402.454 4.722 0 1 HJAF CCCn1cnc2cc(-c3nc4cc(OC)cc(OC)c4[nH]3)cc(Br)c21 587003646 LCFWDMMWFINFRG-UHFFFAOYSA-N 415.291 4.769 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587041043 UPOJURVZTVETPJ-FQEVSTJZSA-N 411.527 4.637 0 1 HJAF Nc1nccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587064535 VEKYQBRVAZRYRW-UHFFFAOYSA-N 403.873 4.894 0 1 HJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587157715 FDHRNFGNSZTAJX-UHFFFAOYSA-N 415.468 4.681 0 1 HJAF CCOC(=O)[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363615 RFRXWTBSNMPREO-NRFANRHFSA-N 403.434 4.892 0 1 HJAF COC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384411 CSSISTQCVOMKJS-JOCHJYFZSA-N 405.425 4.876 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)CC2=O 587464568 SVSLNJDQWGWECT-HKUYNNGSSA-N 424.419 4.966 0 1 HJAF O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530958 XCXJTDNQGHRDSO-VWLOTQADSA-N 406.478 4.797 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC(F)F)c1 587556468 OOAIVRQNZAADBN-XLIONFOSSA-N 402.324 4.836 0 1 HJAF CC(=O)c1cccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587569515 QNGSBEQSZOONFP-TZIWHRDSSA-N 406.409 4.697 0 1 HJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 587573694 WRZQDVGKZCJUIV-YKSBVNFPSA-N 416.408 4.635 0 1 HJAF CC(=O)Oc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600055 KKIOICRZDRVSRM-RDGATRHJSA-N 418.445 4.671 0 1 HJAF Cc1cc(F)ccc1NC(=O)c1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650281 RBCZCUAKBXSFMT-UHFFFAOYSA-N 422.481 4.938 0 1 HJAF CCOc1ccc(-c2nn(-c3ncccc3Cl)c(=O)c3ccccc23)cc1OCC 587669556 TXYKIJHLIMVITI-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(N)c2)N1 587681010 VYGIBPCFCYJWMD-BCTVWOGZSA-N 414.116 4.557 0 1 HJAF CCc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745397 WBZQRHLBMCKXTN-ZSEKCTLFSA-N 419.338 4.929 0 1 HJAF Cc1noc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587793817 LHXRUBUJVNMISV-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCN(c1ccccc1)C2 961773056 CYGLLYLFYPIGQI-SANMLTNESA-N 419.569 4.944 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cccc(Br)c1N 962395352 COHGBPRDVOXQNT-LJQANCHMSA-N 402.361 4.579 0 1 HJAF Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)c1 963413449 IBDWMSDNZZRBGD-LADGPHEKSA-N 410.473 4.717 0 1 HJAF COc1c(OCCC2CC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772643978 JWMRMSOCRBJMGK-SFHVURJKSA-N 422.569 4.630 0 1 HJAF CC(C)OC(=O)N1CCC(CCCCCOc2ccc(C(=O)N(C)C)cc2)CC1 1857644060 BLGZCKKNXGGFSV-UHFFFAOYSA-N 404.551 4.585 0 1 HJAF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccsc2)cc1 4053022 QYRCEHXHHYMMAP-GMAHTHKFSA-N 420.534 4.598 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 4080389 AABMZCQOJBQJNT-GOTSBHOMSA-N 411.546 4.936 0 1 HJAF CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2csc(C)n2)C3)c1 12022499 FEAIMCGFSDVKRJ-QGZVFWFLSA-N 424.497 4.502 0 1 HJAF CCCCc1c(Cl)nc(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13493345 QVQNDHRJUOUYIW-UHFFFAOYSA-N 412.873 4.991 0 1 HJAF Clc1ccccc1[C@@]1(Cn2ccnc2)OC[C@H](c2ccc(Br)cc2)O1 28768359 JOGPZKBUAFSBRV-MOPGFXCFSA-N 419.706 4.940 0 1 HJAF COc1ccc2c(OC)ccc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040720 CZYMYIMQUWQWIK-UHFFFAOYSA-N 419.399 4.728 0 1 HJAF Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2ccc(F)c(Cl)c2)CO3)c1C 73166873 VJBBXHWAQIXLNO-HNNXBMFYSA-N 407.873 4.655 0 1 HJAF Fc1ccccc1Cc1nc(-c2nc(C(F)(F)C(F)(F)F)n[nH]2)n2ccccc12 73195928 MGFKNTOJEHDHQL-UHFFFAOYSA-N 411.309 4.503 0 1 HJAF CCOc1ncc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1 73296851 KGSVLPKTYFVDGD-UHFFFAOYSA-N 405.483 4.727 0 1 HJAF CN(C(=O)c1ccccc1Br)c1cccc(NC(=O)C2CCCC2)c1 84668755 PIDIKIGPLOERQR-UHFFFAOYSA-N 401.304 4.854 0 1 HJAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5cccnc5o4)n3)ccc21 95755310 RXGMBNDLFZYAPA-UHFFFAOYSA-N 418.478 4.503 0 1 HJAF Cc1c(N(CCC(F)(F)F)S(=O)(=O)CC(F)(F)F)sc2ccccc12 115231572 NMGLVJGDIGSWJC-UHFFFAOYSA-N 405.385 4.861 0 1 HJAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccn3Cc3ccccc3)cc1)N2 169372686 IIVLONMULFPENV-CONSUNNSSA-N 414.549 4.991 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 586879429 PMGDDYJEQZALSX-UHFFFAOYSA-N 415.493 4.844 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3cncc(Br)c3[nH]2)c(C)c1 586965953 ANEDBZRWZUYBJB-UHFFFAOYSA-N 414.332 4.815 0 1 HJAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1ccc(F)cc1 586988194 GHDSGJQZQLNDJR-UHFFFAOYSA-N 422.419 4.847 0 1 HJAF COc1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 587030201 ASUMIPFOJVYQHF-UXYFDLPDSA-N 400.529 4.698 0 1 HJAF O=C(O)c1cc(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587071741 QQIVAROVYZMGBP-UHFFFAOYSA-N 417.650 4.734 0 1 HJAF COC(=O)COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587095836 BLZHSYIRHIASSP-UHFFFAOYSA-N 409.441 4.973 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)cnc4[nH]3)cc2)cc1F 587147994 XHUQIMTYHAXJPM-UHFFFAOYSA-N 408.864 4.758 0 1 HJAF COc1ccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c(F)c1 587148412 GPEJMXZXJGSOIC-UHFFFAOYSA-N 414.072 4.826 0 1 HJAF CN(C)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371800 DGOIZJMVVNKIDA-GGAORHGYSA-N 411.498 4.799 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O 587418419 QCGBQICAYUNOJH-HXPMCKFVSA-N 421.674 4.537 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)nc4ncccn14)[C@@H](C2)C3=O 587435710 INTXWWRGVOVZEH-MHECFPHRSA-N 411.461 4.510 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452522 DOTAFFRXGWHYMI-UWUFEASWSA-N 400.430 4.568 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncc1Br 587544367 KKFXXIOQHFCLFD-PXNSSMCTSA-N 412.239 4.561 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587705018 KMGLDCNNMWAAIL-ABKXIKBNSA-N 410.249 4.885 0 1 HJAF Cc1cccc(N2CCC([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CC2)n1 587766124 FIGHWBZCZUDSKB-SZNDQCEHSA-N 418.354 4.784 0 1 HJAF O=S(=O)(O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783941 JPBFKCXXLHITAB-JYRVWZFOSA-N 406.463 4.559 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799694 UFQLJYABYMEDDM-ZUOKHONESA-N 412.343 4.851 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)S1 587855242 IBAFDHWFNJVYBY-JDNHERCYSA-N 423.355 4.652 0 1 HJAF Cc1cc2c(cc1F)[C@@]1(CCN(C(=O)OCc3ccccc3)[C@H](C(C)C)C1)NCC2 962377607 RVLRLVYQXWAGEM-ZCYQVOJMSA-N 410.533 4.932 0 1 HJAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccc(Cl)cc3)nn12 1772592851 VZALZVDKYCHOHT-UHFFFAOYSA-N 401.253 4.560 0 1 HJAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cnc(-c3ccco3)s2)C1 1772596669 DYKPDKXNTYMFNQ-ZDUSSCGKSA-N 415.902 4.547 0 1 HJAF CCN1Cc2[nH]c3ccc(Cl)cc3c(=NCc3ccc(OC)c(Cl)c3)c2C1=O 1772597507 PSLIYZXVRBZMDB-UHFFFAOYSA-N 416.308 4.560 0 1 HJAF Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1OC(F)(F)F 1857564347 CSUMHXKXWVLXHD-UHFFFAOYSA-N 406.299 4.538 0 1 HJAF COc1ccc(CNC(=O)c2ccc(C3(CNc4cccc(OC)c4)CC3)cc2)cc1 1857601227 KBQFBMAEZJNIFE-UHFFFAOYSA-N 416.521 4.778 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1 1857612430 GRRARQOFQOLEAH-LRTDBIEQSA-N 406.375 4.624 0 1 HJAF FC(F)(F)Cc1cc2c(NC3CCN(CCc4ccccc4)CC3)ncnc2s1 1857615778 XTAQWCOHYDZIFD-UHFFFAOYSA-N 420.504 4.915 0 1 HJAF COC1=CC(c2ccc[nH]2)=N[C@]12O[C@H](C)C[C@@H]1CCCCC(=O)CCc3ccc([nH]3)[C@@H]12 2356790989 GGQNIRCZPXJUJM-USAPXKEJSA-N 421.541 4.657 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214107 DDDZTNYHZSHMGG-PNJWGLBASA-N 416.562 4.519 0 1 HJAF COc1ccc(CNc2nc(-c3ccccc3OC)nc3ccccc23)c(OC)c1 4267882 YUCCRRLXXPGFFA-UHFFFAOYSA-N 401.466 4.935 0 1 HJAF COc1ccc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)c(OC)c1 19319256 OPAURFWSUNCBPO-FTBPSBKWSA-N 403.526 4.651 0 1 HJAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CO)CC1 26269547 QGEFHEBBJFXWMU-SJORKVTESA-N 415.574 4.861 0 1 HJAF CCC[C@@H](CCc1nnn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1 26720944 NVJMQGGDOQCOSL-SFHVURJKSA-N 401.514 4.919 0 1 HJAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1Cc1c[nH]c2ccc(F)cc12 28243059 PNFOVVVKYYFTMQ-QFIPXVFZSA-N 401.416 4.847 0 1 HJAF COc1cc2c(cc1OC)[C@@H](CC(c1ccccc1)c1ccccc1)N(C(N)=O)CC2 28396559 GZZRSHXGXPXWFV-HSZRJFAPSA-N 416.521 4.904 0 1 HJAF CN1CCN(c2ccc(Nc3c(CO)cnc4cc(Cl)ccc34)cc2)CC1(C)C 34801089 LCLUBKMUZSVUCV-UHFFFAOYSA-N 410.949 4.655 0 1 HJAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801258 GZGRNURZGJTHEM-JZVUSVNDSA-N 402.623 4.725 0 1 HJAF CC(=O)OCC/C(=C\C[C@]1(O)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]21C)COC(C)=O 36378804 HZUXQKOBUGELTE-GRKRYKLESA-N 408.579 4.813 0 1 HJAF CC[C@H](C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1 72125761 KQJPQVAOMPTZKE-INIZCTEOSA-N 423.463 4.906 0 1 HJAF CCCCN1C(=O)c2c(-c3sccc3N)sc(-c3sccc3N)c2C1=O 73261060 AOTFGWYTHGAPSJ-UHFFFAOYSA-N 403.554 4.766 0 1 HJAF O=C(O)C1CN(Cc2cc(-c3noc(-c4cccc(-c5ccccc5)c4)n3)cs2)C1 73280156 SZZQKFTYGGYXLS-UHFFFAOYSA-N 417.490 4.649 0 1 HJAF O=C(NCc1ccccc1)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82141207 JJGROFQHDFGVST-UHFFFAOYSA-N 412.468 4.825 0 1 HJAF CCCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccco2)n1 82142774 DQTZYNJISIBTJV-UHFFFAOYSA-N 418.419 4.897 0 1 HJAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccco2)C1 82224912 OMBYGVFPQYKGLK-QZTJIDSGSA-N 404.514 4.999 0 1 HJAF COc1cccc([C@H]2O[C@@H](CC(=O)O)c3cccn3-c3ccc(Cl)cc32)c1OC 84709740 QWYMDKZWOZLJRT-PZJWPPBQSA-N 413.857 4.783 0 1 HJAF c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3nccs3)CC2)cc1 96310716 CTISCGFKPGVCBI-UHFFFAOYSA-N 400.551 4.974 0 1 HJAF CC(=O)O[C@H]1/C=C(/C)CC(=O)C[C@@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 101692932 BIVURAJWBKYIFM-JJAVDKEUSA-N 404.547 4.794 0 1 HJAF CNc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1 139902219 JFIKWDGCBYBQDD-UHFFFAOYSA-N 411.465 4.574 0 1 HJAF COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(C(=O)Nc2ccccc2)c1 169342689 IOJPJRUNOXCDQB-HSZRJFAPSA-N 404.491 4.726 0 1 HJAF c1nnc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)o1 200095631 HKQUHJFCVOBXLG-UHFFFAOYSA-N 410.481 4.814 0 1 HJAF COc1cncc(-c2ccc3nc(NC(=O)NCCOc4ccccc4)sc3c2)c1 299821496 KNFODNKZMBNGHS-UHFFFAOYSA-N 420.494 4.567 0 1 HJAF CC(C)Oc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br 586882447 UDNFRPZSMUKROR-BQYQJAHWSA-N 401.260 4.981 0 1 HJAF CCc1ccc2nc(CC/C(C)=C\Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2c1 586915673 PWBQXVIGWVMNCD-NSIKDUERSA-N 420.509 4.940 0 1 HJAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)cc1 586954755 IIHFIRDIDDXBQY-UHFFFAOYSA-N 424.353 4.746 0 1 HJAF Oc1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587011843 DFWWTMDHWYTBTM-UHFFFAOYSA-N 415.110 4.794 0 1 HJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587041520 WRZCGTOISXHSKU-NSHDSACASA-N 418.744 4.961 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Cl)nc3[nH]2)c1 587050618 YUKHZPFIQLDDRN-HJWRWDBZSA-N 418.284 4.655 0 1 HJAF N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587142736 MQAUSTCRRSRVGX-SNVBAGLBSA-N 404.617 4.639 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(Cl)cc2[nH]1 587180570 GWODGFNEJWKUCK-SSDOTTSWSA-N 418.641 4.795 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1 587190074 GNHWQVVKTKARKK-HNNXBMFYSA-N 417.307 4.677 0 1 HJAF COC(=O)c1cc2nc(CCc3ccc(C)c(N)c3)[nH]c2c(F)c1Nc1ccccc1 587250165 JICLIMHUVQRCSZ-UHFFFAOYSA-N 418.472 4.908 0 1 HJAF C[C@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345057 IIBIERAIGKBTKI-ISKFKSNPSA-N 403.409 4.993 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccn1)(c1ccc(Br)cc1)O2 587373364 UKUAEJYETQHBIC-QFIPXVFZSA-N 423.310 4.838 0 1 HJAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587447200 NLWSGPGJADPQJY-UQBPGWFLSA-N 408.494 4.891 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)cc(C(F)(F)F)c1 587549866 SEPOXBLUJAVPJG-PXNSSMCTSA-N 402.324 4.820 0 1 HJAF Cc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587574617 XYYREWSSHKILGN-NRXDJYBQSA-N 401.462 4.633 0 1 HJAF O=C(Nc1cc(F)cc(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655450 HQDZWSQESIXEFO-UHFFFAOYSA-N 413.330 4.700 0 1 HJAF COC(OC)c1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587718565 NJOOBUYTARRJHU-MGNBDDOMSA-N 412.274 4.642 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2F)N1 587737849 HSWPXUFRIWKOJI-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(=O)OC(C)(C)C)N1 587759197 ZNNZKKWDGJQGTP-APPDUMDISA-N 409.299 4.797 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@@H]2CCCNC2)N1 587800095 ZXHSPESLORVCGX-YBOAYWMSSA-N 417.366 4.560 0 1 HJAF CC(=O)Oc1ccc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587808587 HBRJMLXUWBBRDH-LRTDBIEQSA-N 420.322 4.896 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCO3)N1 587833667 HIEIBEQUTOMUHG-FKIZINRSSA-N 406.295 4.699 0 1 HJAF Cc1cc2c(cc1F)[C@@H](c1cc(I)ccc1Cl)NCC2 962150228 YDKGLUOMZOYMTB-INIZCTEOSA-N 401.650 4.627 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccnc(-c4cccs4)c3)N12 962672283 SSVRYPHOTAFXIK-URXFXBBRSA-N 415.518 4.546 0 1 HJAF CCn1c([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)nc2c(O)cccc21 962695879 GHXAQUWCFULWCM-NPMXOYFQSA-N 411.546 4.528 0 1 HJAF OCC1(c2ccccc2)CCC2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962706910 MSAQXGQPYOFEQZ-NWSMCOELSA-N 411.586 4.889 0 1 HJAF Cc1cccc2c1[C@@H](c1cc3ccoc3cn1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862632 DCCGFQUDKIRQFM-VGOFRKELSA-N 422.481 4.862 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356835019 KNGAXTVTDIELJV-YLIBFFDSSA-N 424.581 4.512 0 1 HJAF O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672426 PMFILAFCPCLAGX-UHFFFAOYSA-N 417.856 4.762 0 1 HJAF Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1 13686159 DNSPBVIIBSAYPW-UHFFFAOYSA-N 400.310 4.963 0 1 HJAF COc1cc2ccc(=O)oc2c(OC)c1OCC1=C(C)CCC2=C1CC[C@H]1O[C@@]21C 15160411 SXDAZBMPWBQUHL-DVECYGJZSA-N 410.466 4.547 0 1 HJAF biogenic N[C@H](NC1CCC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CCC4)cc3)o2)cc1 19321362 PSIYSVRPSISUSW-CLJLJLNGSA-N 416.569 4.812 0 1 HJAF in-vitro COC(=O)/C=C/c1cccc(N(Cc2cccc(OC)c2)C(=O)C2CCCCC2)c1 28465781 FTJMBQKSVJZPBR-CCEZHUSRSA-N 407.510 4.995 0 1 HJAF CCOc1cc(/C=C/COc2ccc(C[C@H](OCC)C(=O)O)cc2)cc(OCC)c1 28948392 KXPCNHRXRBQQBA-MNQSQUENSA-N 414.498 4.608 0 1 HJAF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1 34516931 DJSIDVKDEPSWHS-HSZRJFAPSA-N 415.493 4.945 0 1 HJAF COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3CCC(C)CC3)n2)cc1 82066030 GRRPXUSBXTVCMC-UHFFFAOYSA-N 419.529 4.829 0 1 HJAF CCc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)s1 82165716 PZZFBLIQXPBWQR-UHFFFAOYSA-N 406.467 4.763 0 1 HJAF N[C@@H](CSC(Cc1cccc(Cl)c1)(c1ccccc1)c1ccccc1)C(=O)O 84710684 SEDWTAHEZSPLKV-NRFANRHFSA-N 411.954 4.971 0 1 HJAF Cn1cnc2c1CCN(C(=O)Nc1ccc(F)cc1)[C@@H]2c1ccc(C(F)(F)F)cc1 84759615 ZSTGYKXUKMGRAN-LJQANCHMSA-N 418.394 4.758 0 1 HJAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2cccc(Cl)c2)NC(=S)N1 103296567 MXWJTZYGVILJDJ-MRXNPFEDSA-N 410.301 4.564 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118921445 PDEKSQPGUZKWQD-FEWOOJTKSA-N 404.591 4.775 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299881541 OEBOLKNHEYCYKA-KPUOSGPGSA-N 416.562 4.519 0 1 HJAF CCN(C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@H]21)C[C@](C)(O)c1ccccc1 503969575 JTMYRQKZNPTWKI-AQVPQCTMSA-N 411.586 4.674 0 1 HJAF biogenic CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc5cn[nH]c5cc4[nH]3)cc2)cc1F 587147033 BXJYXKBCSNZTJS-UHFFFAOYSA-N 413.456 4.586 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1 587217292 BWEWPVBQRQTFFM-SFHVURJKSA-N 424.273 4.984 0 1 HJAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1C 587334692 KCIAWRJWKNWYER-URXFXBBRSA-N 407.441 4.705 0 1 HJAF CCOC(=O)C[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343959 ARJYJBOGOMGBFN-LADGPHEKSA-N 412.457 4.772 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC[C@@](F)(Cl)C(F)(F)Br)O2 587381446 JBVZDRZKLHJJOR-KBPBESRZSA-N 414.649 4.974 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@]1(CCC(=O)O)c1ccccc1)[C@@H](C2)C3=O 587446816 GIDRCAQODGKGLH-LQGLAIQGSA-N 406.478 4.558 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(O)c(OCC)c1)CC2=O 587456570 RGYNMXQJLAXAEA-KRWDZBQOSA-N 421.287 4.918 0 1 HJAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F 587556890 PHDSDPVEGZDBTF-LAUBAEHRSA-N 414.360 4.705 0 1 HJAF Cc1nc2scc(C3CC3)n2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620115 XIKXLCMMCBNGGV-XMSQKQJNSA-N 418.474 4.990 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(C(F)(F)F)c2)N1 587709655 CAFCWGAREFTRAH-VPTHRUTESA-N 404.201 4.936 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncccn3)cc2)N1 587775409 QWLXJLFMVHEINF-BLVKFPJESA-N 414.278 4.794 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3occ(C(=O)O)c32)N1 587828104 MGGIOYZPVMFOBW-WVDJIFEKSA-N 422.294 4.630 0 1 HJAF O=C(CSc1nc2sc3c(c2c(=O)n1CC1CC1)CCCC3)c1cccs1 653739307 ZMSAXKRHHMALSP-UHFFFAOYSA-N 416.593 4.783 0 1 HJAF COc1ccc2c(c1OC)[C@](Cc1ccccc1)(c1cc(F)ccc1N)N(C)[C@H](C)C2 962561659 DMZYQXGDLUFGML-QUGAMOGWSA-N 420.528 4.788 0 1 HJAF Cc1sc2c(c1C)CCN[C@]2(C(=O)O)c1c(-c2ccc(F)cc2)cc2ccccn12 963012854 RDOZNJYTVNTHDY-XMMPIXPASA-N 420.509 4.898 0 1 HJAF Cc1ccnc2c1CCN[C@]2(C)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 963073556 QZPYPEPOXIOFAE-DLBZAZTESA-N 420.353 4.603 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCCC(F)(F)F)ccc3C2)cc1 1772609719 CYDSBSBRLGEAAH-INIZCTEOSA-N 420.475 4.773 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@]6(CCC[C@H]6CCO)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356352094 MLJOFDODJGSSER-QQEXDJEASA-N 416.602 4.600 0 1 HJAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(F)cc3F)ccc21 201456035 ZGFNHQMUQLFUSV-UHFFFAOYSA-N 408.404 4.888 0 3 HJAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccc(F)c3F)ccc21 201456382 DJRYKTNTLSMTOE-UHFFFAOYSA-N 408.404 4.888 0 3 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 769051 XKKAPFKIFDHEJS-GMAHTHKFSA-N 422.887 4.930 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 5760199 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4.724 0 1 HJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)cc1 100105928 YAYMBSBYUYDBAR-UBRQYEGLSA-N 401.485 4.773 0 1 HJAF Cn1c(=O)c(C(=S)N(c2ccccc2)C(C)(C)C)c(O)c2cc(Cl)ccc21 100829933 BXGGUIGQPNPIHU-UHFFFAOYSA-N 400.931 4.878 0 1 HJAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(c1ccno1)(C3)C2 101068855 PLQQJMFGNKDHGI-GQBJFBHNSA-N 414.933 4.748 0 1 HJAF O=C1C2=C(CCCC2)[C@@H](O)N1c1cc(OCc2cccc(F)c2)c(Cl)cc1F 103208629 SXTYZJAGZOXQQJ-HXUWFJFHSA-N 405.828 4.733 0 1 HJAF CCN(CC)CCCCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O 103271034 VEGNCKZZCDSEKL-UHFFFAOYSA-N 411.498 4.675 0 1 HJAF CC1(C)CC2=Nc3nc(O)nc(O)c3[C@H](c3ccc(Br)cc3)C2=C(O)C1 104025227 UORDVTPGQRJZHN-CYBMUJFWSA-N 416.275 4.500 0 1 HJAF Cc1cc(-c2nnn[nH]2)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1 144709247 KCTWAYIAYYBFAO-UHFFFAOYSA-N 424.361 4.942 0 1 HJAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccnc(-c2nc(C)cs2)c1 167679707 XJIWMKOGXNSCLB-SCLBCKFNSA-N 411.502 4.771 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2cncs2)c1 167811565 MAHWHRGRZKEEJX-YJBOKZPZSA-N 408.523 4.937 0 1 HJAF Oc1csc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)n1 169726300 XCFMBOIDCQJEKV-INIZCTEOSA-N 400.301 4.967 0 1 HJAF CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13 238765731 OXRFOFGXNAZNSV-JRADTRCSSA-N 424.537 4.816 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@@H]1CCOC1 261143388 NLDGWRVWWZGYFC-CEMLEFRQSA-N 424.585 4.714 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026949 KRZCDRBAQCJIQK-UHFFFAOYSA-N 411.552 4.989 0 1 HJAF CC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587092639 WDPMHGAMMJMYGR-UHFFFAOYSA-N 403.282 4.787 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587134883 QBACFIXHEKYALV-UHFFFAOYSA-N 421.169 4.536 0 1 HJAF COC(=O)c1cc2nc(-c3cc(CO)ccc3F)[nH]c2c(F)c1Nc1ccccc1 587140017 DSHYWCWWLHEQEN-UHFFFAOYSA-N 409.392 4.531 0 1 HJAF Fc1ccc(-n2nnc(-c3nc4cc(Br)c(F)cc4[nH]3)c2C2CC2)cc1 587167662 BCWXGCVPDOFZNP-UHFFFAOYSA-N 416.229 4.729 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 587168862 PMAGNNZFWSATAS-UHFFFAOYSA-N 412.266 4.898 0 1 HJAF Cc1c(Cl)ccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327925 IGDHJIWJFULRJT-CVDCTZTESA-N 423.827 4.700 0 1 HJAF Cn1nc(C(F)(F)F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332447 SHORROXDDWGYMX-AZUAARDMSA-N 420.362 4.558 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1c(N)sc3c1CC[C@H](C)C3)O2 587413655 IGVGDQADEOAOMU-MYODQAERSA-N 408.523 4.848 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O 587486163 YMICODJUZHSODP-CJFMBICVSA-N 410.510 4.799 0 1 HJAF Nc1ccc2c(c1)[C@@]1(C=C(C(F)(F)F)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587505483 HIDPAIYSRVPMKU-NRFANRHFSA-N 401.384 4.847 0 1 HJAF COCOc1cccc([C@@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515447 NXKISKZPGFCQKP-AREMUKBSSA-N 415.489 4.852 0 1 HJAF COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587549653 SHWHZJBAEBZTII-GCJKJVERSA-N 412.825 4.766 0 1 HJAF COc1ccc2c(c1)cc([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C 587576601 JSNULRCMWUNGPT-URXFXBBRSA-N 401.418 4.595 0 1 HJAF CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587658513 NVDCVFVDSJQHBJ-MRXNPFEDSA-N 416.452 4.873 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587729074 GDDZPRVYSQROFS-CQLKUDPESA-N 421.241 4.530 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c2[nH]c2ccc(F)cc32)N1 587737422 ZSNZXPBPESJRCP-SBKAZYGRSA-N 403.270 4.933 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1 587741474 HPBQSIZWSSWNGY-DIFFPNOSSA-N 420.326 4.591 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587796437 KGDVTMPDACHODA-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF COc1ccccc1C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587810373 WYLPVAIEZIWHSD-YUNKPMOVSA-N 406.295 4.619 0 1 HJAF CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cnc2s1 587876864 VNGKEUPUUHORQD-LLVKDONJSA-N 424.457 4.420 0 1 HJAF Nc1nccn2c(-c3cccc(NC(=O)c4cc(Cl)c(F)c(Cl)c4)c3)cnc12 653687439 IKOOSPHVRDDLCY-UHFFFAOYSA-N 416.243 4.677 0 1 HJAF CC(C)(C)[C@]1(CC2(O)CCCCC2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962675900 XCSGEWCITVSMKL-FTJBHMTQSA-N 424.585 4.660 0 1 HJAF C[C@]1(C(Cl)(Cl)Cl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963197888 UPDRZEQQWCXPHV-ONGXEEELSA-N 411.034 4.543 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(F)c3F)cc21 1857748653 JXNNRUVERHNPNG-UHFFFAOYSA-N 410.376 4.921 0 1 HJAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356435662 JVGYVFLADYRWMJ-YTBOOYJPSA-N 402.619 4.860 0 1 HJAF CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(Cl)c3Cl)N2C1=S 754285 NUDSXAJKYUQEBU-YJBOKZPZSA-N 416.333 4.548 0 1 HJAF Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)Nc3ccc(C(C)C)cc3)nc12 3019799 YJHIPRUJOPZGRD-UHFFFAOYSA-N 405.527 4.977 0 1 HJAF CC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 4872263 OEXLCNXFRAGYBA-HYYDTBOJSA-N 423.601 4.716 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13740914 WTMPZTOIYURJBE-WILZEYHLSA-N 402.623 4.867 0 1 HJAF CC(C)(O)c1[nH]c2cc(C(F)(F)F)c(Cl)cc2c1I 28818442 DWTDXAJVSLFWSS-UHFFFAOYSA-N 403.569 4.672 0 1 HJAF COc1cc(C(=O)c2sc(-c3ccccc3Cl)cc2N)cc(OC)c1OC 35065313 KMZMIIMTKMGAPQ-UHFFFAOYSA-N 403.887 4.908 0 1 HJAF O=C1NC[C@@H](c2ccccc2)C12CCN(C1(c3cccc(F)c3)CCCCC1)CC2 36222057 CZFHRUYUXGGFNR-QHCPKHFHSA-N 406.545 4.981 0 1 HJAF C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 43017917 NQRHXZAMLYPCPZ-GFCCVEGCSA-N 401.253 4.501 0 1 HJAF CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)COC2 72113785 WKPMOOPAHTUXTP-UHFFFAOYSA-N 400.910 4.997 0 1 HJAF CCCC[C@H](CC)CNc1nc(NCCCCCO)nc2cc(OC)c(OC)cc12 82127739 COSFDENYVBVNSE-KRWDZBQOSA-N 418.582 4.850 0 1 HJAF Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1C(F)(F)F 84725784 FYHRHLBJDZJKLC-UHFFFAOYSA-N 406.429 4.729 0 1 HJAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)C2=C(O)CC(C)(C)CC2=N1 101640672 RHUFFIATLNQZDB-HNAYVOBHSA-N 401.528 4.915 0 1 HJAF Cc1nc(-c2ccccc2F)c(C(=O)N2CCCN(c3cccc(Cl)c3)CC2)o1 103291234 GMVHPAODNHYURA-UHFFFAOYSA-N 413.880 4.795 0 1 HJAF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104071422 ZKZLTNCSYLNMLW-HSZRJFAPSA-N 417.461 4.967 0 1 HJAF Cc1cccnc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCCC(C)(C)C)cc2c1 112932968 ZVOWIRUWKAUSAB-KRWDZBQOSA-N 404.558 4.918 0 1 HJAF Fc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c(F)c1 147646503 XZAMYBUMHZTQDY-UHFFFAOYSA-N 416.435 4.760 0 1 HJAF CC(C)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 168310465 VLLRBORZHOEQIQ-UHFFFAOYSA-N 401.510 4.615 0 1 HJAF Cc1cn(-c2cc3c(c(Cc4ccccc4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 169308166 LIRXYOSHRDKVEH-UHFFFAOYSA-N 412.533 4.818 0 1 HJAF Cc1c(-c2ccc(C3=NCCCN3)cc2)oc(-c2ccc(C3=NCCCN3)cc2)c1C 196125409 DDMNRMNRYUNGMF-UHFFFAOYSA-N 412.537 4.710 0 1 HJAF [C-]#[N+]c1cnc(-c2ccccc2OC)c2ccc(S(=O)(=O)Nc3nccs3)cc12 261081094 BRCQAKLWHBONGS-UHFFFAOYSA-N 422.491 4.718 0 1 HJAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc2[nH]ccc2c1 299845190 PCKPLKTXIIQVRV-GCJKJVERSA-N 402.542 4.792 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](C)CN(C)C 299888154 ZYCPOHNMPCLYQV-JSNMRZPZSA-N 411.949 4.559 0 1 HJAF C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C1 586917071 LALZPCDJLBLYHE-SGTLLEGYSA-N 405.907 4.505 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cncc(Cl)c3[nH]1)N2 587030414 DRVWLJGLZHJZFX-DAVUEJTQSA-N 405.936 4.738 0 1 HJAF Cc1cncc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c12 587171560 RSUINAHQFORICU-UHFFFAOYSA-N 416.865 4.527 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(F)cc(F)cc32)[C@H]1c1ccc(F)cc1 587330523 FTOVOJGFLHLKHV-NZQKXSOJSA-N 412.363 4.846 0 1 HJAF COc1ccc2c(c1)OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356098 IBZQUOSWPTWCQA-ILBGXUMGSA-N 420.436 4.967 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1OC(F)F 587552694 BKFRKAMKSHZWOY-FXAWDEMLSA-N 402.324 4.836 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)o2)N1 587679095 FDWHFQVPGSOKGC-AYVTZFPOSA-N 403.089 4.741 0 1 HJAF Cc1cc(-n2cccn2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587761464 UPKUMTGRTSOQON-RNODOKPDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H]2CCOC2)(c2ccccc2)N1 587837183 ZZJQBNIBRSOSOC-LRAJWGHMSA-N 404.323 4.793 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccs3)nn2C)N1 587850716 DYOPKYMGALYHNB-YPMLDQLKSA-N 406.324 4.674 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587852890 NZVHEFAVIHRBHR-APPDUMDISA-N 424.383 4.967 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(N)sc3c2CCC3)(C2CC2)N1 587853585 AIQXGHYQVFAARX-WVDJIFEKSA-N 421.379 4.908 0 1 HJAF COc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2c1 587857690 MOPYWSBIOGWYLR-XYZCENFISA-N 407.308 4.830 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(OC(F)F)c1 587861904 XVLBMGFVUOLHQQ-UHFFFAOYSA-N 412.314 4.867 0 1 HJAF Cc1nn(-c2ccccc2)c(C)c1CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876687 VTZPARLTODESLD-UHFFFAOYSA-N 402.429 4.870 0 1 HJAF O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1 621476170 YQRVKHFCWPQIGE-UHFFFAOYSA-N 420.534 4.988 0 1 HJAF c1cnc2ccc(Nc3ncnc4ccc(-c5cnn(C6CCNCC6)c5)cc34)cc2c1 653834954 GQNNNKXWKABPNJ-UHFFFAOYSA-N 421.508 4.710 0 1 HJAF COc1cc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OC 653864165 RRIURYHMVSVHBQ-BUHFOSPRSA-N 414.461 4.582 0 1 HJAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3cccnc3-c3ccncc3)C2)cc1 962630788 FVJXRXKRZFNNTD-CUBQBAPOSA-N 418.544 4.980 0 1 HJAF O=C(O)C1=COc2cc(Cl)ccc2[C@]12NCCc1cc(-c3ccccc3)ccc12 962671642 SAABBXZMFGWGBV-DEOSSOPVSA-N 403.865 4.757 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)C2(c3ccccc3)CC2)C(=O)OC)cc1 1772586908 LTFHSXYMAVSFDT-XMSQKQJNSA-N 409.526 4.564 0 1 HJAF COc1ccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c2c1 1857534563 IOJLMGDGYYKGES-DHDCSXOGSA-N 415.496 4.760 0 1 HJAF CCc1cccc(Oc2ccc3c(c2)C(OC(=O)c2ccccc2)=CS(=O)(=O)N3)c1 1857649966 VJURVXHHPMJCAN-UHFFFAOYSA-N 421.474 4.952 0 1 HJAF CC1=CC[C@H](C(C)=Cc2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)CCC1 2356726328 UYUFFQJDKXXQKP-YDPGBSGYSA-N 419.587 4.879 0 1 HJAF CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 61902895 RPXCCDZUGUQBED-UHFFFAOYSA-N 421.394 4.953 0 3 HJAF O=C(c1cnccn1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 3956128 AWMBIPXPBWQLRP-UHFFFAOYSA-N 412.537 4.666 0 1 HJAF CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C[C@H]1CNc2ccccc2O1 13780741 DUHMPJNIEFUIMW-JOCHJYFZSA-N 424.491 4.876 0 1 HJAF O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Br)cc1 15628986 KVASUWWVIWTOKN-UHFFFAOYSA-N 413.300 4.561 0 1 HJAF Nc1cccc(Cl)c1Oc1ccccc1CC(=O)O[C@@H]1OC(=O)c2ccccc21 26389949 XZFCECDPRALVEC-JOCHJYFZSA-N 409.825 4.669 0 1 HJAF Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 28899401 MTWPDVYWKZQPMP-UHFFFAOYSA-N 411.552 4.913 0 1 HJAF O=C1N(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2C12CC2 29563805 ZLKQAALBMPFYRJ-UHFFFAOYSA-N 417.528 4.640 0 1 HJAF O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1noc2c1C[C@@H](c1ccccc1)CC2 70725256 KKJDVZCAPIYEDU-SFHVURJKSA-N 416.456 4.583 0 1 HJAF Cc1c(OCCCCCN2CCOCC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271249 AUTKMUGYKXZGTJ-UHFFFAOYSA-N 407.510 4.650 0 1 HJAF CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@H](Cc6ccccc6O)C5)[C@]3(C)[C@](C)(C4)[C@@]12O 103575274 OSEOLKFRLIPYMG-ABGQWEPVSA-N 424.581 4.995 0 1 HJAF biogenic,in-vitro Cc1nn(Cc2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(C)c1CC(=O)O 168918320 LCLYSHZCWFXKBO-UHFFFAOYSA-N 417.431 4.806 0 1 HJAF Cc1cccc2nc(/C=C/c3nc(-c4ccco4)cn3COCC[Si](C)(C)C)nn12 198709964 XGNPYGXVMOBKPP-ZHACJKMWSA-N 421.577 4.977 0 1 HJAF CC1(C)O[C@@]2(CC3=CCC[C@]45C[C@]34[C@@H](O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 238748010 YMOQSWLZEWLLIG-DINXCDNUSA-N 424.493 4.577 0 1 HJAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253640373 ZVUBOJJCNXGQFS-MLCQCVOFSA-N 412.574 4.869 0 1 HJAF Cc1cc(F)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961774 SWKXKRYCMZUIQU-BEVDRBHNSA-N 413.518 4.705 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cccnc3Br)nc3ccc(O)c1c23 586986199 PBWQYRBLARLTQS-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF Nc1ncc(-c2nc3cccc(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587061663 XDVIRYCTHSAWNQ-UHFFFAOYSA-N 400.667 4.685 0 1 HJAF CCCCOc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587149323 DWYAQQGRFQPVOZ-KRWDZBQOSA-N 410.262 4.831 0 1 HJAF Oc1nc(O)c2ccc(-c3ccc(Oc4cccc(Br)c4)cc3)nc2n1 587367116 SVWIVYQNNZYDSA-UHFFFAOYSA-N 410.227 4.658 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)O2 587409481 VLXLVOZJPQLDPL-RUZDIDTESA-N 401.462 4.801 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587450030 LUHRXQVNCJVPCX-CPJSRVTESA-N 400.430 4.723 0 1 HJAF COc1ccc([C@@]2(C=C(SC)SC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587452259 NTCJRFMVRKXNOX-VGOFRKELSA-N 414.548 4.914 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(=O)n(Cc3ccc(C)cc3)c1)CC2=O 587486825 MAFDDFWETVCCSM-QHCPKHFHSA-N 403.478 4.570 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2C1 587518701 NQKDGQVUTAEQQT-DPOKWSEZSA-N 411.542 4.936 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1OC(F)F 587558314 WJFXRGQRCGGJHP-YLJYHZDGSA-N 402.324 4.836 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)cc1 587566625 WRTKNTDMBQKWJJ-UHFFFAOYSA-N 416.433 4.576 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(F)cc1F)CC2 587570396 WPCPTDXWNBXDJA-NRFANRHFSA-N 423.415 4.671 0 1 HJAF COc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577823 PEZDBGHIMJKUBD-WIOPSUGQSA-N 413.429 4.894 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619081 QRMMYEOXEZPEDP-NFBKMPQASA-N 406.459 4.754 0 1 HJAF COc1cccc2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 587661857 DGRPFMKRLWRQPA-UHFFFAOYSA-N 403.438 4.810 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=COc1cc(O)ccc12 587708014 XKAXWVPQVOLRQT-NIVTXAMTSA-N 410.670 4.544 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(C2CCNCC2)N1 587732916 OJCDDGGECMGFRD-YEJXKQKISA-N 421.329 4.505 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1 587737114 CUARNWPLTGUEFR-FKIZINRSSA-N 422.317 4.520 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccn(C)n3)c2)N1 587764111 NYXIPCOCZOIUIS-YUNKPMOVSA-N 400.295 4.612 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)CN1CCCCC1 587866300 JIKIIGHODSGQIT-HNNXBMFYSA-N 409.452 4.730 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCN(c1ccccc1)C2 961773055 CYGLLYLFYPIGQI-AREMUKBSSA-N 419.569 4.944 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccc(O)cc3)cc2)N1 962984972 AHFBBUHYZJONKA-WIYYLYMNSA-N 415.823 4.679 0 1 HJAF Cc1ccc(C[n+]2c(C)n(Cc3c4c(cc5c3OCC5)OCC4)c3ccccc32)cc1 1772610490 KOVNXKNILWLKKX-UHFFFAOYSA-N 411.525 4.512 0 1 HJAF CN1CCC[C@@H]1CCO[C@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772634929 FLCRYTPTFPDXRU-SZNDQCEHSA-N 413.905 4.505 0 1 HJAF Brc1ccc(Cn2cc(CSc3nc4ccccc4s3)nn2)cc1 1857559041 ZLNQATNZJQWRKR-UHFFFAOYSA-N 417.357 4.991 0 1 HJAF Cc1cc2nccc(-c3cncnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 1857656086 IFLNWDKYQWGWAZ-UHFFFAOYSA-N 410.521 4.808 0 1 HJAF CC[C@@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356406207 PUYCWXPLVBRWMS-PGRDOPGGSA-N 415.530 4.602 0 1 HJAF CCCCC(=O)[C@@]12CC[C@@H](C=C1C(=O)OC)[C@@H](CCC)[C@]21OC(=O)c2ccccc21 2356409833 UEOQSTYKYFTKDQ-BJRXGZSKSA-N 410.510 4.737 0 1 HJAF COC(=O)CCC(=O)OC[C@@H]1CC[C@]2(C)C(C)=CCC[C@H]2[C@@]1(C)CCC(C)=CCO 2356617153 SULVCIDWKZEIQU-JMLJLYKJSA-N 420.590 4.981 0 1 HJAF CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 14967386 VBNOPZVOGBGCQR-SNVBAGLBSA-N 408.342 4.723 0 1 HJAF CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1Nc1ccc(Cc2ccncc2)cc1 20900842 LHRBTOAGTFTGLW-UHFFFAOYSA-N 417.534 4.874 0 1 HJAF O=C(NC[C@H]1CCCCN1)c1cc(CCC(F)(F)F)ccc1CCC(F)(F)F 26827494 CNSPJJFGJOEEIG-OAHLLOKOSA-N 410.402 4.548 0 1 HJAF Nc1n[nH]c2c1S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(Cl)c(Cl)c1 40420608 FPWFCOLAEHHXMX-UHFFFAOYSA-N 415.689 4.568 0 1 HJAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)C1 82142361 HRMDLDPDLNKBOB-RDGPPVDQSA-N 410.562 4.870 0 1 HJAF Clc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@H]2CCCO2)cc1 82178285 GLTGWHXQDXHVAD-LJQANCHMSA-N 419.916 4.938 0 1 HJAF O=C(O)c1ccc(-c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cc2)cc1 84728924 JHUYVAJTSXKSOB-UHFFFAOYSA-N 418.384 4.570 0 1 HJAF COc1cc2ccc(=O)oc2cc1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C 85850069 UHOOGCXWXYNESM-UFFXRUGOSA-N 412.526 4.950 0 1 HJAF CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 103229903 XSIVUDDVVOILTG-LQLSTCSOSA-N 405.586 4.555 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc([C@@H](O)C2CCCCC2)cc1 137021463 JFCUIZFHNHUFLO-LPBAJSDUSA-N 414.542 4.535 0 1 HJAF Cc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C3CC3)n2)s1 205794300 GBWLFYCXOFCJMJ-SJORKVTESA-N 407.543 4.617 0 1 HJAF CCc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 261171412 TVFVWZFGIFIBQA-CKQQTVSASA-N 414.509 4.962 0 1 HJAF CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)nccc21 299860030 GIPFWVJXTQVDMH-UHFFFAOYSA-N 410.374 4.860 0 1 HJAF CCCOc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br 586906268 AHNWVPYCGVNGLY-LLVKDONJSA-N 403.276 4.695 0 1 HJAF FC(F)(F)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587001273 DOURMWHJOZSKPH-UHFFFAOYSA-N 409.209 4.937 0 1 HJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1 587126159 WISQOEWDKZMKNN-KSBSHMNSSA-N 418.192 4.636 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1 587330979 GQIWOHWHUOKTBE-WMZHIEFXSA-N 412.363 4.846 0 1 HJAF C[C@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334330 MAYMEAAJSOTMPZ-RXVVDRJESA-N 401.796 4.993 0 1 HJAF C[C@@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334348 MBYRCAFPSPICIC-NFBKMPQASA-N 406.388 4.821 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343968 ATTUTZKMYHUUEM-LADGPHEKSA-N 412.457 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)cc4)c(OC)c1)[C@@H](C2)C3=O 587428469 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C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(C)C 587703368 GPPHRRYDXTWQRM-PPPRTXNZSA-N 409.265 4.782 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)cc3)CC2)N1 587736959 XMWBUYSAWXGBDD-CYBMUJFWSA-N 407.302 4.757 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)nc2F)N1 587739308 VETPXLOEAYATBX-MPBGBICISA-N 422.317 4.520 0 1 HJAF COc1ccc2c(c1)cc([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)n2C 587753532 AYUBNJJDQCCCTG-YBTHPKLGSA-N 403.295 4.712 0 1 HJAF CCCn1nc(C)c2c(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)cc(C)nc21 587872628 OWBXSDBYQVPZQA-UHFFFAOYSA-N 421.476 4.548 0 1 HJAF COCOc1ccc([C@]2(c3cccnc3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963098373 GPQCZGWYOUSCQY-DHLKQENFSA-N 404.485 4.516 0 1 HJAF Cc1cc(-c2nc(-c3ccnc(F)c3)c3n2CCOCC3)ccc1OC(F)(F)F 1772628228 RUBWUWIHYBPSMT-UHFFFAOYSA-N 407.367 4.531 0 1 HJAF COc1cc(C(N)=S)cc(-c2cn(CCCC(F)(F)F)c3cc(N)ccc23)c1 1857583892 MXOARKPQQFHLLL-UHFFFAOYSA-N 407.461 4.876 0 1 HJAF COc1ccc(CNCCCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1OC 8270974 ZVAWYYORTHHWBJ-UHFFFAOYSA-N 411.329 4.828 0 3 HJAF Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1 13686168 PYXJKYJAFMLYMS-UHFFFAOYSA-N 400.310 4.963 0 1 HJAF CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1ccc(Cl)cc1 13747554 PMKQCZSATBQBQV-UHFFFAOYSA-N 411.907 4.999 0 1 HJAF CC(C)C[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 26746684 WHKRVYHZFPLASH-KLXHEQSOSA-N 418.581 4.968 0 1 HJAF CC(C)(Oc1ccccc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27737475 PTUXZXRJIRNUSY-RXQGWBKSSA-N 411.498 4.781 0 1 HJAF O=c1sc2ccccc2n1CCCCCCN1CCN(C2CCCCC2)CC1 29134356 UZTWFCZMLAYKQA-UHFFFAOYSA-N 401.620 4.574 0 1 HJAF CCN(CC)CCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12 40876393 KCNBDQMSNPKHJJ-UHFFFAOYSA-N 404.986 4.709 0 1 HJAF CNCCCCCCc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45190134 NOCMJQOHRYWNQA-NTKDMRAZSA-N 403.010 4.917 0 1 HJAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(C(F)(F)F)cc4)C[C@@H]2N3)cc1 100109126 OLWBUYWDQCJCAM-GQOYEBEOSA-N 401.432 4.710 0 1 HJAF CCNC(=S)N1N=C(c2ccccn2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 103193109 QZKSEEIPNKVABH-HSZRJFAPSA-N 416.550 4.706 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)CCO3)n1 142033312 ZZWCDXPWHHUVLK-INIZCTEOSA-N 411.509 4.961 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)cc3)cnc3c(F)cccc23)CC1 201538270 JVXUXKOSHVZHJE-UHFFFAOYSA-N 402.466 4.582 0 1 HJAF CCCCCC1=C(C(=O)OCc2ccc(OC)cc2)[C@H](c2ccccc2)NC(=O)N1 205384168 QOIWXCNFPYPDKM-QFIPXVFZSA-N 408.498 4.627 0 1 HJAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 299813919 LUIVVVBAKNBNNR-BDTNDASRSA-N 402.970 4.738 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Cl)c(C)c2[nH]1 586984851 PPRAFDCWIQEKSB-INIZCTEOSA-N 406.711 4.707 0 1 HJAF CCOC(=O)c1ccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 586989187 AROBJVDUHHIQLP-UHFFFAOYSA-N 409.441 4.919 0 1 HJAF O=S(=O)(O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128141 HDRUZFOMPUEIBT-UHFFFAOYSA-N 407.423 4.538 0 1 HJAF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587154290 BTCUCZGENUTWJL-AWEZNQCLSA-N 402.369 4.526 0 1 HJAF CN(C)CCOc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587157612 BYLBVNRLOLTPGD-UHFFFAOYSA-N 403.457 4.789 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(O)c3[nH]2)c1C 587166170 UTJDTSKRZZYMTP-UHFFFAOYSA-N 407.445 4.604 0 1 HJAF C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516685 DPPBBVKWZGDBAX-WXTAPIANSA-N 419.521 4.948 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1Cl 587541018 CWQQAPOXGACQBX-UGKGYDQZSA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1F 587566962 COQMYDVVNOJKMX-UZLBHIALSA-N 415.214 4.997 0 1 HJAF CCOc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 587592562 AGOUUMQQCWBNKL-WIOPSUGQSA-N 402.446 4.983 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCN(Cc1ccccc1)C2 587597011 TVRUUFHEZAVOHO-JYFHCDHNSA-N 415.489 4.779 0 1 HJAF CC[C@]1(c2ccc(OC)cc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598535 BMRDZMAYEYAXAY-ZJSXRUAMSA-N 406.434 4.677 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615026 VACLCAQWJRFRCP-HLNIAZEUSA-N 424.474 4.510 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CN2CCCC2)cs1 587615834 ZDYNJPNRZXFKSU-NZQKXSOJSA-N 407.491 4.752 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2Br)N1 587681028 WAKVOFXZNWJUCY-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1 587721244 WIOGYYLGQQGALU-VVVCHXIZSA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1 587722484 ZBEPUDYZSWHTOH-QTTZVWFDSA-N 408.649 4.536 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OC(F)(F)O3)N1 587722975 UYAFUYUGENVUDW-VXJOIVPMSA-N 400.194 4.533 0 1 HJAF Cc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587744703 SNMIQKFLXMOCRJ-RBZFPXEDSA-N 405.311 4.675 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(N)c2)N1 587746110 LIVCUKNXGYSGIL-RCDICMHDSA-N 411.318 4.997 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)C2)N1 587766769 HSJPIKBLZLXGMS-QVKFZJNVSA-N 403.339 4.614 0 1 HJAF CC(C)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587773332 QLVRLXPJDABWTL-HXPMCKFVSA-N 402.311 4.983 0 1 HJAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 587774155 LSLRRRBNRFPZSS-NSPYISDASA-N 401.279 4.769 0 1 HJAF COc1cccc(C[C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587809928 RVNZJXCOCLTXRB-LRTDBIEQSA-N 404.323 4.979 0 1 HJAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 587810056 SVLYGVRBULDCJE-SLGRPQEYSA-N 424.354 4.873 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(OC)cc1 587864764 OTNVCWDLGDGJFR-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF CCN(c1ccc(-c2csc(-c3cccc4cnccc34)n2)cc1)S(C)(=O)=O 587922310 BGFLMVTUFRTTMD-UHFFFAOYSA-N 409.536 4.811 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)c3cccc(OC)c3)nc2c1 587930430 IAIBDXBUHJLGKH-LBPRGKRZSA-N 417.303 4.857 0 1 HJAF COc1ccc(Cc2nc3c(n2C)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1 653709063 SUMIJYNXFQNURM-UHFFFAOYSA-N 423.516 4.720 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cccc(N3CCCC3)c2)N1 963181819 RIUKOWRYNDXMDP-RBUKOAKNSA-N 424.850 4.647 0 1 HJAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1cccnc1-c1cccs1 963186907 KLZIUQGNGYKXGB-QFIPXVFZSA-N 422.550 4.568 0 1 HJAF CCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)cc3O)cnc2O)cc1 1857745261 PEBGHFJZMDUEPM-UHFFFAOYSA-N 418.371 4.830 0 1 HJAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 12479702 WCQDBVILBRHLKG-FUHWJXTLSA-N 410.539 4.671 0 3 HJAF Nc1c(Cl)cc(-c2cn(CCC(=O)O)c(-c3ccc(Cl)nc3)n2)cc1Cl 36387394 INHKOVFZFCCGSC-UHFFFAOYSA-N 411.676 4.629 0 3 HJAF C[C@]1(C(=O)NCc2ccccc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61927259 COJARECHZVRWRM-JOCHJYFZSA-N 412.411 4.777 0 3 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)C[C@@H](O)C(F)(F)F)CC[C@H]12 253778749 JVSPILBDVWXPBS-IMDLOWNWSA-N 416.524 4.889 0 3 HJAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3CCCO3)sc2c1 13533937 SMACRHCODVADBJ-HNNXBMFYSA-N 415.902 4.628 0 1 HJAF Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(CN(O)C(N)=O)c1 13604020 HWZSADIFMAJZAU-UHFFFAOYSA-N 421.375 4.518 0 1 HJAF Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 28478146 RMEABNGXSQNZGH-VWLOTQADSA-N 414.553 4.680 0 1 HJAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 38299602 QRXNHLRVKKVQFT-XJABCFGWSA-N 418.474 4.809 0 1 HJAF CN1C(=O)[C@H](c2cc(Br)ccc2O)Sc2ccc(C(F)(F)F)cc21 40424198 HMDSNZIBDKSCJY-AWEZNQCLSA-N 418.234 4.983 0 1 HJAF COc1ccc(-c2nc(-c3ccccc3)oc2Sc2ncccn2)c(OC)c1OC 45301299 OOYTVKPSKOJDKH-UHFFFAOYSA-N 421.478 4.976 0 1 HJAF O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1)c1ccc(F)cc1 71317523 XZCVSAPFDLKDPA-SDHOMARFSA-N 405.513 4.828 0 1 HJAF CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc2c1OC(C)(C)[C@@H](O)C2 72107997 AEHJHBXVNUEEJH-GMAHTHKFSA-N 408.494 4.682 0 1 HJAF biogenic COc1cc(OC)cc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c1 73316962 OTYJQDAAXZAEJR-UHFFFAOYSA-N 422.868 4.908 0 1 HJAF CC[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82154069 AOMGDZQFEORPIO-GOSISDBHSA-N 400.526 4.939 0 1 HJAF CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3)ncnc21 82178254 DOZOOTCWPUPTCV-MRXNPFEDSA-N 417.513 4.866 0 1 HJAF Fc1cccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)c1 82181608 NCIAGAGYOTWOEQ-IBGZPJMESA-N 409.509 4.804 0 1 HJAF Cn1nc(-c2ccc(C[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1C(=O)O 84586916 ZKEVJYKTCULYJA-QFIPXVFZSA-N 410.473 4.995 0 1 HJAF CNc1ncc2c(-c3ccc(-c4ccccc4)cc3)nn(CC3CCC(N)CC3)c2n1 84709944 UOYIIWVJEPEEOF-UHFFFAOYSA-N 412.541 4.720 0 1 HJAF CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn1)C2 100597514 BSYKANMZHPLFEV-QDMKHBRRSA-N 404.358 4.780 0 1 HJAF C1=C(c2c[nH]c3ccccc23)C[C@@H]2CC[C@@H]1N2CCOc1cccc2c1OCCO2 101118019 DJNWXEYVXXAHII-OALUTQOASA-N 402.494 4.638 0 1 HJAF O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 140743780 RLSFSSXSLQYHKJ-UHFFFAOYSA-N 407.417 4.519 0 1 HJAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(COc2ccccc2)cc1 142281572 KFLNRIHQDMLOGA-UHFFFAOYSA-N 410.429 4.999 0 1 HJAF O=C(Nc1ccc(C2=CCN(C(=O)c3cccnc3)CC2)cc1)N1Cc2ccccc2C1 166531912 JZWSUISSUCALAU-UHFFFAOYSA-N 424.504 4.559 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C\CC/C(C)=C\[C@H](O)C/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 169363956 SVAFVUMQBHODCP-GPOURQQDSA-N 404.547 4.816 0 1 HJAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586983905 LDWCNQOPGMTXNQ-GFCCVEGCSA-N 402.189 4.726 0 1 HJAF Clc1ccc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)nc2c1Cl 587083159 ILUCSWPTTUOZPH-UHFFFAOYSA-N 413.308 4.917 0 1 HJAF CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587102549 AGECIUHZNBDKHP-UHFFFAOYSA-N 403.434 4.656 0 1 HJAF COc1c(F)ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1N 587133442 PZKFPGSNQUPUSM-UHFFFAOYSA-N 420.160 4.621 0 1 HJAF N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F 587143120 XFJDGXPLHNGEKH-GFCCVEGCSA-N 420.179 4.865 0 1 HJAF O=C1COc2cc3[nH]c([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)nc3cc2N1 587158651 IUIZDPJCZRZCEE-OAQYLSRUSA-N 423.831 4.855 0 1 HJAF C=CC(=O)Nc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 587244292 OBMWRSRNFZYWSS-UHFFFAOYSA-N 421.092 4.879 0 1 HJAF CCCCOC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343964 ARNGSWOVXFPJLV-GGAORHGYSA-N 400.446 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(F)F)cc1OC(F)F)[C@@H](C2)C3=O 587422598 PDKBHRDYRARGTO-RNODOKPDSA-N 412.335 4.561 0 1 HJAF CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCCCC1 587445867 YQDFKQUZNKFFAJ-QFQXNSOFSA-N 421.537 4.743 0 1 HJAF C[C@@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549707 SWZPBXRAVLKZFZ-REWPJTCUSA-N 423.852 4.795 0 1 HJAF O=C(O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550696 XVNJYOGWSLJWPV-OFNKIYASSA-N 424.836 4.768 0 1 HJAF COc1ccc2c(c1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551683 IKCHIVJJGZXDOV-WMZHIEFXSA-N 408.837 4.858 0 1 HJAF CN(C)/C=C\[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568138 DAUMLMLHJSXBRH-UFFLMYOTSA-N 423.415 4.603 0 1 HJAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CN(C)C)cc1F 587622145 BILZMVIPLAZAGB-UHFFFAOYSA-N 417.282 4.683 0 1 HJAF CC(C)CC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704626 JFYQSCCCTYQZBN-HWPZZCPQSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1 587704737 JTISCDFCJUHCCF-ABKXIKBNSA-N 420.200 4.746 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(F)F)N1 587718925 PCWATOMHZDRVBL-MLCYQJTMSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@@H]3CCCC[C@H]3C)CC2)N1 587768234 LXPFBFQOVLZYQN-STXHMFSFSA-N 409.387 4.992 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cccnc12 587778689 OJQXOOVNDIPLIC-GTJPDFRWSA-N 411.274 4.915 0 1 HJAF CCOCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798594 PDVIQGIFWSXNHA-FKIZINRSSA-N 408.311 4.757 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587799955 VGVKHPHJEKCAJO-WILYLXEWSA-N 406.295 4.510 0 1 HJAF CN(C)C(=O)c1cc2c(s1)CCN(c1cccc(-c3nc4ccccc4n3C)c1)C2 653863966 ORNBPBHCILFYEJ-UHFFFAOYSA-N 416.550 4.566 0 1 HJAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3cccnc3OCC3CC3)C2)cc1 962643875 WWGSDOFKWPPWDN-OZXSUGGESA-N 411.549 4.707 0 1 HJAF Cc1ccnc2c1CCN[C@]2(Cc1ccc(F)cc1)c1cccc(Br)c1 963075356 RVDRJWVMHVOHIK-JOCHJYFZSA-N 411.318 4.924 0 1 HJAF O=S(=O)(Cc1ccccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21)c1ccccc1 963096361 NCXDWQFFJGATLE-BWKNWUBXSA-N 421.537 4.910 0 1 HJAF CCc1ccc([C@@]2([C@H]3CCC[C@H]3C(=O)O)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963614182 WRJIFGYHGWTUFQ-YIFDDYNVSA-N 423.553 4.545 0 1 HJAF CC=C1[C@H]2C[C@H]3N1CC[C@@]3(c1ccccc1NC(C)=O)c1c2cnn1-c1ccccc1 2356583435 UECDSMAGMCKZHD-LNXUECGXSA-N 410.521 4.596 0 1 HJAF O=c1c2cc(F)ccc2nc(C[C@H](O)c2ccccc2F)n1-c1ccccc1Cl 1489036 MIINQRNDYBNHMW-FQEVSTJZSA-N 412.823 4.593 0 1 HJAF COc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C4CC4)c3n2)cc1 4238980 ZJTBXQDRUQIMTO-UHFFFAOYSA-N 420.856 4.643 0 1 HJAF CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 7991808 CGIUHLNAKRVEFE-GOSISDBHSA-N 424.593 4.543 0 1 HJAF CC(C)(O)CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2 14692086 JIXABEPUKFUVOD-UHFFFAOYSA-N 422.477 4.759 0 1 HJAF biogenic COc1cc2nc(CN(C)[C@@H](C)c3cccs3)nc(N3CCCC3)c2cc1OC 23311035 NPSNFEIAWCAXEM-HNNXBMFYSA-N 412.559 4.502 0 1 HJAF O=[S@](Cc1nccc(OCc2ccccc2)c1Cl)c1nc2cscc2[nH]1 27519740 OKFISRVDHBDWHJ-SANMLTNESA-N 403.916 4.560 0 1 HJAF O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)C1CCCCC1 27847653 BARRGRIMEJNOGZ-UHFFFAOYSA-N 420.601 4.507 0 1 HJAF O=C(CCCCCCCCCCCc1ccccc1)CC(=O)N[C@H]1CCOC1=O 28572178 FNLRURCQFGBBGY-QFIPXVFZSA-N 401.547 4.521 0 1 HJAF CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(-c3ccccc3)cc2)c1)C(=O)O 29127283 RZUOWNCTTSMPJD-IBGZPJMESA-N 417.505 4.946 0 1 HJAF O=C(O)c1cccc(-c2cnc([C@@H](O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135877 RCWLHVQRMWRNKS-NRFANRHFSA-N 400.434 4.768 0 1 HJAF CCN(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 36189253 JSVCHYCWIRWLJK-HNVVALFESA-N 420.597 4.953 0 1 HJAF CCC[C@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 36222186 NYYAWUQQKRNUEW-QHCPKHFHSA-N 424.508 4.728 0 1 HJAF O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F 72179898 WDTKFSPIDFEWRH-UHFFFAOYSA-N 414.795 4.675 0 1 HJAF CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)C3CCCCC3)ccc2O1 82158435 ZPOVSMRTZGEMDG-UHFFFAOYSA-N 412.555 4.935 0 1 HJAF Cc1ccccc1C(=O)N[C@H]1CCN(CCSc2cccc(Cl)c2Cl)C1 95573763 HNMBLRKSPJPQKY-HNNXBMFYSA-N 409.382 4.898 0 1 HJAF CCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2 103532614 YKERXKWLIKFUIZ-HNNXBMFYSA-N 405.321 4.824 0 1 HJAF COc1cc2nccc(Oc3ccc(NC(=O)c4ccccn4)cc3)c2cc1OC 141333709 NJOJKCSNOKXOJE-UHFFFAOYSA-N 401.422 4.692 0 1 HJAF COc1cc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 205175309 CDQMJQBQACODEJ-DEOSSOPVSA-N 416.477 4.584 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1C/C=C/c1ccc(O)cc1 206889204 DAWRUANGYYPWBR-NSCUHMNNSA-N 420.461 4.589 0 1 HJAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586952680 FMQWOOGTRODXCN-UHFFFAOYSA-N 424.429 4.506 0 1 HJAF Brc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586997336 BNPHXMMHVOCXFJ-DAFODLJHSA-N 422.076 4.987 0 1 HJAF Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cnn1-c1ccc(Cl)cc1 587076634 YBAVNHYBDCLLKZ-UHFFFAOYSA-N 413.190 4.791 0 1 HJAF CC(C)Oc1ncccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332688 AWNPRLOMDHFNLL-XUZZJYLKSA-N 407.441 4.988 0 1 HJAF C[S@](=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369866 QQTQHQWNOHUFRR-IXQRDTAUSA-N 410.466 4.543 0 1 HJAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421181 UCTIMLWMJDKFDY-GQANSBOFSA-N 404.293 4.720 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)OC)(c1ccc(OC)cc1)CC2=O 587483087 UVJLVIWJLVSGDC-DEOSSOPVSA-N 412.482 4.557 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2cc(O)cc(O)c21 587486676 MGQAQDQDDPALIF-XMMPIXPASA-N 404.418 4.771 0 1 HJAF O=C1C[C@@H](c2cccc(I)c2)Oc2c1ccc1c2CCCC1 587508445 VZLCBSMVEKRMHF-SFHVURJKSA-N 404.247 4.877 0 1 HJAF Cc1cc(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1 587511595 LYQCVKLKJFISCN-VWLOTQADSA-N 416.477 4.995 0 1 HJAF CSc1ccc([C@@]2(c3[nH]c(O)nc3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533775 VLIDMXOZKREUAE-XMMPIXPASA-N 420.534 4.933 0 1 HJAF Cc1cccc(C)c1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576083 FPUIKSUEJNMGFY-OFVILXPXSA-N 417.461 4.758 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1CCc1ccccn1 587576632 KCFIGATTZJMSSE-DHLKQENFSA-N 412.445 4.534 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccncc1 587585945 ITPWNMIAOOJPKL-OZXSUGGESA-N 409.441 4.887 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596005 MRSWEPWNPCXAEU-XUZZJYLKSA-N 410.466 4.626 0 1 HJAF O=C(O)CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600427 ALESRDZGXNJOEU-DHLKQENFSA-N 418.445 4.894 0 1 HJAF COc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)c1 587622217 FOUZAXYZWCAZIE-UHFFFAOYSA-N 420.213 4.930 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587740829 FQNBPSLURWNNCF-SPLOXXLWSA-N 419.338 4.983 0 1 HJAF C[C@H]1C[C@@]2(CN1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 587759591 GUZBLFDJOAQSOR-WIEQDCTASA-N 403.339 4.612 0 1 HJAF CCOP(=O)(C[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC 587850613 QTZCFLFINFAPEK-SJCJKPOMSA-N 422.275 4.994 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1COc2ccccc2O1 587858529 IWLOJRSWZWQMHJ-SFHVURJKSA-N 419.264 4.736 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc2onc(C)c2c1 587858609 KKFGFHGMTSXCGF-UHFFFAOYSA-N 417.252 4.789 0 1 HJAF COc1ccc(/C=C/Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c1 587930249 RJQFPWUMZNSYCU-ONEGZZNKSA-N 400.482 4.667 0 1 HJAF COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)c2ccc(C)cc2)cc1F 653793036 YVRJVRQLJZLXJD-RUZDIDTESA-N 418.468 4.547 0 1 HJAF COc1ccc(OC)c(NC(=O)CN(Cc2ccc(C)cc2)c2ccccc2OC)c1 653899246 AYHKFVMVJGIMGQ-UHFFFAOYSA-N 420.509 4.666 0 1 HJAF CCC[C@]1(c2cn(CC)nc2C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951897 JGVXWVUVMMVHNU-QFIPXVFZSA-N 421.507 4.925 0 1 HJAF COc1cccc([C@@]2(c3c(Cl)cccc3Cl)NCCc3ccc(O)cc32)n1 963340056 FPJYJFCYELLNDM-NRFANRHFSA-N 401.293 4.540 0 1 HJAF COc1ccc(OC)c(-c2cc(F)cc([C@H](CC(=O)O)c3ncc(C)s3)c2)c1 1772617042 PQRWEAIOEAWNOH-SFHVURJKSA-N 401.459 4.881 0 1 HJAF CC(C)=CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc3c(c1O)C=CC(C)(C)O3)C2=O 1772636831 DPWKXLBSMJZMNT-KRWDZBQOSA-N 422.477 4.855 0 1 HJAF O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1F)C1CCCCC1 1857539023 CKIGGIUYPBRMLG-UHFFFAOYSA-N 406.498 4.602 0 1 HJAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)cc3)ccc2N1C(C)=O 1857647894 NPWHUNXHOXKFRM-QHCPKHFHSA-N 413.521 4.604 0 1 HJAF CCCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 2356456948 XNLPJXSZRVLTGM-HZSPNIEDSA-N 402.487 4.925 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356566282 YEPSFDDUIHVEJE-DFQVTKPUSA-N 416.694 4.887 0 1 HJAF COc1ccc([C@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1 61896982 UIOAUVPUVXXEQK-FQEVSTJZSA-N 405.483 4.526 0 3 HJAF O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 3040821 MJLDRFBYJLYRML-UHFFFAOYSA-N 400.503 4.890 0 1 HJAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 5962483 YICZBOMOCOUNSS-BFNDMTDDSA-N 410.595 4.771 0 1 HJAF COc1cc([C@H]2OC(c3cc(OC)c4c(c3)OCO4)=C(C)[C@@H]2C)cc(OC)c1OC 14435665 VPSNRNADTQYGQE-YUNKPMOVSA-N 414.454 4.588 0 1 HJAF biogenic COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@H](C(F)(F)F)CC2 22944689 WLOMELCAKGDPJO-ONTIZHBOSA-N 404.476 4.870 0 1 HJAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C[C@@H]21 26282565 LOLVHYOCRQVNRM-LFGUQSLTSA-N 417.590 4.808 0 1 HJAF CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28827020 KIDDMZJRFUKWAI-WMQCIHAUSA-N 416.458 4.659 0 1 HJAF COc1ccc(NN2C(=O)O[C@@](C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 72106757 IPHMZAKWGRRJGE-QHCPKHFHSA-N 404.422 4.709 0 1 HJAF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3Br)c2=O)cc1 73337258 ZSNJCAHCEHWGQA-UHFFFAOYSA-N 421.678 4.508 0 1 HJAF O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)C1(c2ccccc2)CCCCC1 84669539 NWOTVJCUJHEELF-CAOCKLPOSA-N 402.582 4.915 0 1 HJAF O=c1c(CN(CCO)Cc2ccccc2)coc2cccc(OCC3CCCCC3)c12 95560401 CBWLWRZOXVZQDH-UHFFFAOYSA-N 421.537 4.747 0 1 HJAF O=C1Nc2cc(F)ccc2[C@@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1 101446219 FMLRXMFPOCCESX-FQEVSTJZSA-N 401.913 4.507 0 1 HJAF O=C(NC[C@H]1CCCO1)c1cc2c3ccccc3nc-2c(-c2cccc(Cl)c2)[nH]1 102644979 MOBVHKOGJXZESP-MRXNPFEDSA-N 405.885 4.897 0 1 HJAF CCN(CC)C(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 103244791 SWADDJASDXOIKA-ZMUQKQNPSA-N 402.623 4.725 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)c(OC)c1 103532248 JHMXABOPFOWANN-LJQANCHMSA-N 414.531 4.715 0 1 HJAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c(OC)c1 166320827 USYBIJDIDGNRNK-UHFFFAOYSA-N 417.465 4.504 0 1 HJAF COc1cc(NC(=O)/C=C/c2ccccc2OCc2ccccc2)cc(OC)c1OC 169312378 HZGOYBWHHDQZAJ-BUHFOSPRSA-N 419.477 4.943 0 1 HJAF S=C(Nc1cc(Cl)ccn1)N1CCN(c2cccc(Cl)c2Cl)CC1 198797807 ROHJRXDTWXWFIQ-UHFFFAOYSA-N 401.750 4.561 0 1 HJAF CC(=O)O[C@@H]1C(C)=CC[C@H](O)C(C)=CCCC(C)=CC=C(C(C)C)[C@H]1OC(C)=O 253664344 BEGZWCKKXIZDII-RBZQAINGSA-N 404.547 4.816 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 586962106 UQUMIZDQWUDUDB-BKTGTZMESA-N 417.481 4.536 0 1 HJAF C[C@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC(=O)OC(C)(C)C 586988727 OTCPTLCHEBFAJR-CYBMUJFWSA-N 404.466 4.608 0 1 HJAF Brc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586997343 BNPHXMMHVOCXFJ-RJRFIUFISA-N 422.076 4.987 0 1 HJAF CC(C)(C)c1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019282 JNGLSLLUJZPLFE-UHFFFAOYSA-N 406.511 4.866 0 1 HJAF COc1cc(OC)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 587032489 XAUIEOPTBAJOLN-UHFFFAOYSA-N 415.515 4.602 0 1 HJAF C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327674 GYLOLAMYKWQTMB-AVRDEDQJSA-N 423.831 4.682 0 1 HJAF CCCOc1ccccc1[C@]1(CN)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338784 ROLQEGGCBWKGSX-NOZRDPDXSA-N 421.468 4.533 0 1 HJAF CCc1nn(CC)c2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341119 IPUTZXCFRYVEAV-WIOPSUGQSA-N 420.484 4.901 0 1 HJAF C[C@@]1(c2ccccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341550 JSUBVUMBYSFEIM-ZCYQVOJMSA-N 414.436 4.991 0 1 HJAF Cn1ccnc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343094 RPLJTOAKCRFBIZ-WONHAXNMSA-N 406.457 4.720 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CCC(=O)C[C@@]2(O)C3)c1 587366151 LXSCHORLQNWKBJ-CLJLJLNGSA-N 413.473 4.955 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(C(=O)O)c(F)c3)c1)O2 587386207 ULHTZZWJUNFGPR-XMMPIXPASA-N 405.425 4.962 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1scc(Br)c1Br)O2 587410505 OILMLHBPOAFVPM-LLVKDONJSA-N 417.122 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O 587469174 XKCYZKGMHIXVQV-YADARESESA-N 414.473 4.630 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(=O)O)cc1)CC2=O 587489806 PGLASQOJJONEPN-VWLOTQADSA-N 402.446 4.952 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cnc3sc(C(=O)OC)c(C)c3c1)CC2=O 587495419 ODJMNEIVCSDXMM-SFHVURJKSA-N 411.479 4.756 0 1 HJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cnn(C)c2)c1 587579582 DVCVZNOSWIETCF-WIOPSUGQSA-N 412.445 4.804 0 1 HJAF CC[C@]1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580629 TTXRGAPRBMVDAH-GPUOULLFSA-N 417.461 4.783 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cn2)N1 587678643 CNZMLYXZQTZAEX-ABKXIKBNSA-N 414.116 4.543 0 1 HJAF CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O 587698087 YETBPCAQCSIDIT-HUTHGQBESA-N 414.702 4.970 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1 587716117 IJLPWPDCUSJRQK-VVVCHXIZSA-N 416.237 4.822 0 1 HJAF COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587805339 FZQBDWKXIYAZEA-YUNKPMOVSA-N 408.311 4.685 0 1 HJAF CCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587832524 ZBUYWXRNDHDAID-LRTDBIEQSA-N 420.322 4.793 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)(C2CC2)N1 587834180 QTMXAGAYGQAMRW-RNODOKPDSA-N 412.343 4.661 0 1 HJAF Cc1cc(C)nc(SC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587846793 RVBPGDHLTDMZAF-XIKOKIGWSA-N 410.356 4.537 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1ccc2c(c1)OCO2 587862651 UJVDWNRJBQJTSZ-UHFFFAOYSA-N 418.371 4.579 0 1 HJAF C[C@@H]1C[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2cc(F)ccc2O1 962957299 NBOLRPVYPNKKBX-JLCFBVMHSA-N 421.434 4.911 0 1 HJAF Cc1cnc([C@@H](CC(=O)O)c2cc(F)cc(-c3ccccc3C(=O)N(C)C)c2)s1 1772576371 QKVYIVMUOSGFOZ-IBGZPJMESA-N 412.486 4.566 0 1 HJAF COc1ccc(-c2ccc(OC)c([C@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772604511 WTJNDCWILQJYQP-KRWDZBQOSA-N 401.459 4.881 0 1 HJAF CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cncc21 1857569440 VMWSCTXLVVPNGK-UHFFFAOYSA-N 409.486 4.718 0 1 HJAF COCOc1cccc(C[C@@H]2Cc3cccc(OCCc4ccccc4)c3C2=O)c1 1857630683 UVQDUGHEARGOIN-JOCHJYFZSA-N 402.490 4.889 0 1 HJAF CC[C@H](C)C(=O)c1c(O)cc(O)c2c1oc1c(C(=O)[C@@H](C)CC)c(O)cc(O)c12 1857635137 IEUWCIKYZVYZHM-UWVGGRQHSA-N 400.427 4.866 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)c1 61907667 OAFKQKYUYYXBQL-FQEVSTJZSA-N 414.502 4.522 0 3 HJAF O=C(Nc1cccc2ccccc12)c1[nH]c(-c2ccccc2)c2c1C(=O)N(C1CC1)C2=O 72141110 LNXRKGYIHZDTJS-UHFFFAOYSA-N 421.456 4.846 0 3 HJAF CN(C)C(=O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 13609218 QAKKADMTADAUTB-JLHYYAGUSA-N 403.265 4.802 0 1 HJAF Cc1scnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610444 HRVCUISAJOBFTQ-UHFFFAOYSA-N 403.511 4.890 0 1 HJAF CCN(CC)C(=O)/C=C(\C)c1cc(OCC(=O)O)cc(O[C@@H](C)c2ccccc2)c1 13782712 DUAMZTSHZAMEMJ-WQJNHMDYSA-N 411.498 4.562 0 1 HJAF COc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCC(=O)O)c2C)cc1 13802882 JAKZLBJBNMIQMP-BKUYFWCQSA-N 416.477 4.817 0 1 HJAF O=S1(=O)c2cccc3cccc(c23)N1CCCN1CC=C(c2ccccc2)CC1 13823448 OTKMWMJOFBUWDJ-UHFFFAOYSA-N 404.535 4.528 0 1 HJAF N[C@H](COc1cc(/C=C/c2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 14957642 AQDWLHMFJHACCX-UEKDZROGSA-N 404.901 4.731 0 1 HJAF CCN(c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](CO)C(C)C 26401314 DPYPPYQKUDMBSR-KRWDZBQOSA-N 416.957 4.647 0 1 HJAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc(OC)cc1)CCCCC3 28968829 ZPMPGNOYMGNLNI-UHFFFAOYSA-N 405.498 4.642 0 1 HJAF O=C(O)CN(C(=S)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1 29407749 ILCWJPZBGKLKEM-UHFFFAOYSA-N 410.442 4.565 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1ccco1 35259298 UCLAEBSMAYVLJP-HNNXBMFYSA-N 409.158 4.693 0 1 HJAF CC(C)c1ccccc1[C@H]1CC(c2cccc(Br)c2)=NN1C(N)=S 40424109 KCNGASSWAOZUBN-GOSISDBHSA-N 402.361 4.967 0 1 HJAF COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(Cl)c1 40866876 BENNPSIFPJGMNT-UHFFFAOYSA-N 409.902 4.747 0 1 HJAF N=C(N)c1cc2c(O[C@@H](C(=O)NCc3ccccc3)c3ccccc3)cccc2s1 45367110 RPMUVLQJQRPMOJ-JOCHJYFZSA-N 415.518 4.622 0 1 HJAF COc1ccc(-n2c([C@@H]3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1 72123615 ZGQZTHWLDSRLAV-IBGZPJMESA-N 419.529 4.585 0 1 HJAF CCOC(=O)C(C)(C)Oc1ccc(NC(=O)COc2ccccc2[C@@H](C)CC)cc1 95561566 HCFQPDCADVYNRE-KRWDZBQOSA-N 413.514 4.938 0 1 HJAF CCC[C@@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccn1 136844960 PWAJHTVPIOBHLL-GOSISDBHSA-N 420.517 4.642 0 1 HJAF COc1ccc([C@H]2C[C@]3(N4CCCC4)C[C@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1 299810108 HWQISLZWCOZLRA-FYQRJBHISA-N 407.554 4.580 0 1 HJAF Fc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1Br 587006195 AMHIZCHLPPBAQX-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl 587062100 SOKSDQGNHFHLQE-RNODOKPDSA-N 419.859 4.588 0 1 HJAF O=C(NCCc1cnc2cccc3c2c1-c1ccccc1C3=O)OCc1ccccc1 587104104 NBWYWHGFBWVOPV-UHFFFAOYSA-N 408.457 4.915 0 1 HJAF Cc1ccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1 587140982 LTARYOOKWYRWRU-GOSISDBHSA-N 409.914 4.730 0 1 HJAF CC(C)COc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587154033 BRHUTHPWJQNUAD-XCLFUZPHSA-N 418.310 4.841 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cncc(Cl)c2[nH]1 587230620 GGYSTRLLWUYTEG-UHFFFAOYSA-N 407.861 4.501 0 1 HJAF Cn1nc(C(F)(F)F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332456 SHORROXDDWGYMX-QUCCMNQESA-N 420.362 4.558 0 1 HJAF Cn1nccc1[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337519 BAYXFWQQALBNLS-OAEOJWKDSA-N 406.457 4.720 0 1 HJAF CC(=O)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587346436 BTIWQWJNUFWCSD-LADGPHEKSA-N 406.409 4.731 0 1 HJAF CCOC(=O)C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348332 NTAAQUUAURJBTC-IGUJJWBZSA-N 412.457 4.772 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1OC(F)F)O2 587381616 HDJIHJQZGAQMAY-SFHVURJKSA-N 412.230 4.822 0 1 HJAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587424215 YBZYEGAXMUNKJV-WCEPGQMLSA-N 404.293 4.720 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(C)cc4)nc1C(C)(C)C)[C@@H](C2)C3=O 587430712 GHGFAAXJDLWQSK-FDDCHVKYSA-N 402.494 4.976 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C)cc(Br)cn13)CC2=O 587458191 HLJGPMGXTOCOFV-GOSISDBHSA-N 415.287 4.770 0 1 HJAF C[C@@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567610 HYOIXGYNKVHPRT-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2N1CCCCCC1 587597616 VVFGFBLGNDHTQU-WRALFONMSA-N 407.510 4.911 0 1 HJAF CS(=O)(=O)c1ccc2[nH]c(-c3c[nH]c(C(=O)O)c3)c(-c3ccc(Cl)cc3)c2c1 587649656 RVJUTKBOESDGET-UHFFFAOYSA-N 414.870 4.585 0 1 HJAF CC(C)Oc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655956 JENPTCOCBPUGHC-UHFFFAOYSA-N 420.415 4.817 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3ccccn23)N1 587705691 NWMTVUHCABDGGC-MGNBDDOMSA-N 408.702 4.687 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccccc2)N1 587825449 DKEXOGLDDPUJCS-RNODOKPDSA-N 406.295 4.621 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587828873 AOMCCHWQCMJABU-GIPWTMENSA-N 406.295 4.633 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2 587835373 WCOSUWQKGMGDDD-PVUDRZGPSA-N 420.322 4.934 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(CCO)cc1 587865983 RTGHREKROWGESE-UHFFFAOYSA-N 419.403 4.583 0 1 HJAF Fc1ccc(F)c([C@@H](F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1 653680390 JIRAWGOWJRZGJS-FQEVSTJZSA-N 413.447 4.805 0 1 HJAF CCCCCc1ccc([C@@]2(c3ncco3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962933293 UIDNXXFRWYIPKK-AREMUKBSSA-N 417.553 4.547 0 1 HJAF Cn1cc([C@@]2(c3c(F)cccc3F)c3c(F)cccc3C[C@H]3CCCN32)cc1C=O 963096000 DQGJKGCJZXLSRM-OSPHWJPCSA-N 410.439 4.567 0 1 HJAF C[C@]1(c2cncc3ccccc23)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963181634 ORCSPNDEOGGDED-OXQOHEQNSA-N 420.818 4.769 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(C)CSc1ccccc1C(=O)O 963289971 SOBKTJOZJNGZCI-IBGZPJMESA-N 406.345 4.643 0 1 HJAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4cc(Cl)ccc34)CC2)CC1 1772585141 BKICZVHEIHZFNF-RUCARUNLSA-N 403.954 4.746 0 1 HJAF CC=C(C)[C@@H]1C(CO)=C[C@H]2[C@H](CC[C@@H](C)[C@H]2O)[C@@]1(C)C=CC=CC=CC=CC(=O)O 2356730440 HQBUFDHCDKVRME-DRPPXZNZSA-N 412.570 4.840 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356856963 SFAOZGQLBGGDOT-GYLDXBNJSA-N 408.582 4.807 0 1 HJAF COc1cccc(CNc2nc3cc(-c4ccc(C)cc4)sc3c(=O)n2C)c1OC 61926922 QFFCRJAWLVHTMS-UHFFFAOYSA-N 421.522 4.600 0 3 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215164 CBMOGDIWACELMN-RBQRNVLBSA-N 418.578 4.622 0 1 HJAF COc1cc(CC2(c3ccc4c(c3)OCO4)SCCCS2)cc(OC)c1OC 26390615 ZQHWOJKFQUGKPM-UHFFFAOYSA-N 420.552 4.707 0 1 HJAF CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1CCc1ccc(S(N)(=O)=O)cc1 27996849 SONNRSADRWZVSQ-UHFFFAOYSA-N 423.602 4.778 0 1 HJAF CN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@H](NC)c1c(Cl)cc(O)cc1Cl 28769461 UAYQMFONSIUOKJ-IYBDPMFKSA-N 410.128 4.933 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 36188684 KFZWDYQMBIYWFQ-NBCQBHNSSA-N 402.623 4.769 0 1 HJAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(Br)c1O 40933754 WCROFLNXVAMUFW-IDNTVEGQSA-N 409.320 4.935 0 1 HJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3c(F)cccc3F)nnc2c1 68119982 ODZFDXUMFJMPJG-UHFFFAOYSA-N 404.420 4.542 0 1 HJAF O=C(N[C@@H](c1cncnc1)c1ccc(Cl)c(Cl)c1)c1ccc2cnccc2c1 72179001 GYOORXSUQDRTDK-HXUWFJFHSA-N 409.276 4.851 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 73223104 QOFDJYAYOCDSDG-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF COc1cc(-c2cnc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)ccc1O 82083311 ILCCUARHCYRDLL-UHFFFAOYSA-N 401.344 4.676 0 1 HJAF O=c1[nH]c2ccc(N3CC=C(c4ccc(Cl)cc4)CC3)nc2nc1-c1ccccc1 82231801 HVEVIDDAPRWBAX-UHFFFAOYSA-N 414.896 4.932 0 1 HJAF O=C(O)CSc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1 103240143 ICVVXTDMPDJJEV-UHFFFAOYSA-N 413.311 4.827 0 1 HJAF COc1ccc(OC)c(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1 165588764 ACSXYLCXVZBSEZ-UHFFFAOYSA-N 417.465 4.504 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2cscn2)c1 167132254 REGDETKFRWUISP-BEFAXECRSA-N 408.523 4.937 0 1 HJAF COc1ccc(-c2nn3cc(-c4ccc(Br)cc4)nc3s2)cc1OC 299862767 NXEKVFTZSMIISP-UHFFFAOYSA-N 416.300 4.905 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)c1C 586947289 LGYXLPQKJYGMJM-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF Fc1cnc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029315 NZPSSSXQYRBKLO-UHFFFAOYSA-N 405.252 4.562 0 1 HJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587043170 PYIQDSTXXYHSHG-AWEZNQCLSA-N 413.808 4.770 0 1 HJAF CC1=C(c2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)NNC(=O)C1 587049495 MBHNLNICRCXWCG-QWHCGFSZSA-N 413.308 4.896 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 587167072 HDKXEXWHAVXVOG-AWEZNQCLSA-N 421.245 4.973 0 1 HJAF CCOC(=O)C(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587362048 CSDBHTRZUTXXHR-UHFFFAOYSA-N 403.434 4.640 0 1 HJAF Cc1nc2sccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376914 YUWQUKPSUWYWGF-XMSQKQJNSA-N 408.454 4.823 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Cl)c(F)c1)CC2=O 587466355 LCTQBLBLVPUCAC-NRFANRHFSA-N 406.837 4.863 0 1 HJAF Cc1sc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)nc1-c1ccccc1 587534634 DNIPNRMOYRUFGB-DEOSSOPVSA-N 404.535 4.817 0 1 HJAF COC(=O)c1sc2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C 587538110 NOUXMFCUOKCQBP-IBGZPJMESA-N 407.491 4.977 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccn2)s1 587612760 NBJIWPKRGUGUKC-GHTZIAJQSA-N 402.431 4.614 0 1 HJAF COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2c(C)cc(Cl)cc12 587626197 DRSRZKCLDGKASH-UHFFFAOYSA-N 407.857 4.647 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2Br)N1 587676308 GGDIYOGTZDWYHA-VPTHRUTESA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(F)cc2)N1 587733310 LGGAOKXUVDGALG-YEJXKQKISA-N 415.281 4.948 0 1 HJAF Cc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587739169 GFGGTAFYYZCGAM-UHNDWZJDSA-N 403.339 4.750 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(=O)OC(C)(C)C)N1 587759199 ZNNZKKWDGJQGTP-DIFFPNOSSA-N 409.299 4.797 0 1 HJAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799573 SLVKPHFBWDIYHT-FOPRYUNUSA-N 412.343 4.707 0 1 HJAF COC(=O)CCCC[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808203 NSQJRNVFZKRZJD-JMERFSKESA-N 400.332 4.707 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(=O)O)cc1OC 587860337 REXVWXZUFYEOCK-UHFFFAOYSA-N 407.253 4.952 0 1 HJAF C[C@H](CCC(=O)O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587961777 WZEOEGGVJFAXNI-CYBMUJFWSA-N 417.303 4.948 0 1 HJAF C[C@]12CCN(C(=O)Cn3cnc4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 653795119 JOPYJOGKZZNQSP-KAYWLYCHSA-N 422.532 4.573 0 1 HJAF O=C(CCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ccccc12 653803646 KXGUGTXNNHJXIT-UHFFFAOYSA-N 407.413 4.690 0 1 HJAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCC[C@@H](c3ccccn3)C2)N1 963191330 OYQDGNGVVZNNSO-OACQNMCBSA-N 424.850 4.906 0 1 HJAF CC1(C)[C@H]2CC=C3[C@@H](CC[C@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@@]34C)[C@@]2(C)CC[C@H]1O 2356392578 HBDJSKMXFZVHGN-WNBPXBMTSA-N 411.586 4.535 0 1 HJAF CO[C@H](C=C[C@@H]1CCC(=O)O1)CCCCCC=C(Br)Br 2356635177 VKOGIGKSQGLZNY-QWHCGFSZSA-N 410.146 4.845 0 1 HJAF CCC=C(C)C(=O)O[C@@H](C)[C@H](OC(=O)C(C)=CCC)c1cc(OC)c2c(c1)OCO2 2356661933 VNDVELGATHSJOM-JXFKEZNVSA-N 418.486 4.653 0 1 HJAF Cc1nc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(C(C)C)cc3)cc2s1 6859646 QDVDNHGHZDWGDI-UHFFFAOYSA-N 402.541 4.531 0 1 HJAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1nc2ccccc2nc1N1CCCCC1 8607797 KAMDUOCZVNJMPM-UHFFFAOYSA-N 416.403 4.771 0 1 HJAF C[C@@H](CO)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 14455237 ZLTABHWOTHYCCO-CQSZACIVSA-N 420.461 4.551 0 1 HJAF biogenic O=C1OCC2=C1[C@H](c1cc(Br)ccc1O)c1ccc3ccccc3c1N2 71280809 GBHBKQYZAMMPMW-SFHVURJKSA-N 408.251 4.676 0 1 HJAF CCC[C@@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 72139370 HQPFVUSWARQYSL-DNVCBOLYSA-N 415.331 4.857 0 1 HJAF O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1 72139529 FRBFSROABWDIGK-RJGXRXQPSA-N 414.981 4.738 0 1 HJAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 73224297 CFFNAKXKCNSFIJ-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF COc1ccc(-c2cccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c2)cc1 101172026 XRHGWZWMBXHTEP-UHFFFAOYSA-N 413.473 4.972 0 1 HJAF CCCSc1nc(N[C@H]2CC[C@H](C(=O)O)CC2)ccc1C(=O)NC1CCCCC1 101539099 LSNUPHZZOYTURX-WOVMCDHWSA-N 419.591 4.702 0 1 HJAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H](C)CN(C)Cc1ccccc1 148959689 LSNQHHPIVSZBTR-NRFANRHFSA-N 424.585 4.601 0 1 HJAF CC(C)CCn1cc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cn1 166153488 ZXTFFDCOTONYSH-UHFFFAOYSA-N 417.513 4.729 0 1 HJAF Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(N2CCc3ncncc3C2)c1 169710106 NOGCBFFACCYBCX-UHFFFAOYSA-N 412.415 4.619 0 1 HJAF COc1cccc(F)c1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 219465708 GAZDWOGJKIZCKP-CQSZACIVSA-N 424.350 4.818 0 1 HJAF c1ccc(Cn2c(SCc3nc4ccc5ncccc5c4[nH]3)nnc2C2CC2)cc1 586966054 CAZOTBDJBKQXAD-UHFFFAOYSA-N 412.522 4.921 0 1 HJAF COc1cc2c(cc1OC)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586992782 UGBYOPGJPAXHSU-UHFFFAOYSA-N 409.441 4.935 0 1 HJAF O=C(COc1ccccc1-c1nc2ccc3ncccc3c2[nH]1)Nc1ccccc1F 587155297 WNBCWQQARIYZIE-UHFFFAOYSA-N 412.424 4.935 0 1 HJAF N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587155682 KAXJLQFMCCFAGL-BDJLRTHQSA-N 414.200 4.825 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc12 587230654 WDULDLVEGBKHNO-UHFFFAOYSA-N 413.909 4.884 0 1 HJAF CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587375258 KPNPAWKGSLWODO-HXUWFJFHSA-N 408.281 4.698 0 1 HJAF COc1ccc(C(=O)Nc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587388718 GBMUBHNZHMFMQY-QFIPXVFZSA-N 402.450 4.545 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4csc(C)n4)c(OC)c1)[C@@H](C2)C3=O 587453223 WHHXBBUQCHBOSE-SBUREZEXSA-N 423.490 4.536 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3nccn3C)cc1)CC2=O 587471748 TYVLRVQYNMSUNW-XMMPIXPASA-N 406.482 4.538 0 1 HJAF Cc1cc(C)cc(OCc2nc3c(Br)cnc(Br)c3[nH]2)c1 587564221 GKVMROWHIMCXJT-UHFFFAOYSA-N 411.097 4.679 0 1 HJAF COc1ccc(OC)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600654 OVLISCYAOGVXJY-WIOPSUGQSA-N 418.445 4.603 0 1 HJAF Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Br 587656569 GHHQDJQYCJNEMR-UHFFFAOYSA-N 410.246 4.658 0 1 HJAF CC(C)CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587844650 LUQILLQBAPLTDR-APPDUMDISA-N 410.356 4.750 0 1 HJAF COC(=O)c1ccc(Oc2ccc3[nH]c(C(=O)CCc4ccccc4)nc3c2)cc1 587953045 FEPYTDFDSLUYCN-UHFFFAOYSA-N 400.434 4.957 0 1 HJAF CCOC(=O)C(C)(C)C[C@]1(c2cc(F)c(F)c(F)c2)NCCc2cc(C)c(F)cc21 962086863 AYHHMIHKMIACMT-HSZRJFAPSA-N 423.450 4.920 0 1 HJAF Cc1cnc2[nH]cc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c2c1 962953827 KEANKDLMRYHLOH-LJQANCHMSA-N 401.432 4.631 0 1 HJAF CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc3c(c12)CN(CC1CC1)CO3 1772593690 YPIMSZIOKNFNEV-UHFFFAOYSA-N 407.466 4.847 0 1 HJAF CCCC(=O)Nc1ccc2c(c1)-c1c(OCC3CC3)c(OC)cc3c1[C@@H](C2)N(C)CC3 1911580322 GASGRPBEZJRRMT-OAQYLSRUSA-N 420.553 4.975 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356566285 YEPSFDDUIHVEJE-SOWXURCCSA-N 416.694 4.887 0 1 HJAF CC(C)(O)C=CC[C@@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 2356665197 XPGMCKYYWPUVAF-VWLOTQADSA-N 424.493 4.500 0 1 HJAF CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C)cc2)c1 205222558 IGVMUKURWIMWSV-UHFFFAOYSA-N 400.478 4.684 0 3 HJAF CC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 12055220 QTSPTHWBHBIHHW-INIZCTEOSA-N 405.498 4.718 0 1 HJAF CCCCc1nc2c(sc3nccc(N(C)C)c32)c(=O)n1-c1ccc(CC)cc1 13676157 VYUFFNORDHWOJK-UHFFFAOYSA-N 406.555 4.966 0 1 HJAF CCN(c1nc(C)cc(N2CCOCC2)n1)c1ccc(C(C)C)cc1Br 13794464 DQSVEQFHEZHQRX-UHFFFAOYSA-N 419.367 4.666 0 1 HJAF CC(C)=CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)c3c1OC(C)(C)C=C3)C2=O 15261709 FIYVYQFNWRYZHD-KRWDZBQOSA-N 422.477 4.855 0 1 HJAF biogenic COc1ccc(CC(=O)Nc2ccccc2-c2ccccc2NCCCN(C)C)cc1 27714146 GEUASGDQYNSTNP-UHFFFAOYSA-N 417.553 4.907 0 1 HJAF COc1ccc(C(=O)Nc2c(O)c3ccc(OC)c(C)c3oc2=O)cc1CC=C(C)C 28868726 KNJQXWDVANWZHY-UHFFFAOYSA-N 423.465 4.585 0 1 HJAF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1F)N1CCCC1 82151991 MBDKPOBCMAEECI-UHFFFAOYSA-N 424.907 4.827 0 1 HJAF O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1F 84711840 PGGIBMLTWOFSMS-UHFFFAOYSA-N 412.804 4.682 0 1 HJAF COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CC2CCC(C)CC2)cc1 141604056 OPNCBMYHRCYEGA-WVXCJSOBSA-O 424.653 4.669 0 1 HJAF Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)C(C)C)c1O 169351443 MRRXLHMXKIDHKD-UHFFFAOYSA-N 404.434 4.615 0 1 HJAF CCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 224800771 ZOUQEIFYQVQXEF-UHFFFAOYSA-N 413.518 4.604 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586974045 UFKOUWXOIUEEJY-HNNXBMFYSA-N 409.433 4.572 0 1 HJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(=O)N(C)C)ccc2[nH]1 586981675 SQAHUFLZUYANJV-UHFFFAOYSA-N 423.314 4.793 0 1 HJAF Cc1cc(Br)cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586983706 HPPBVJMZCQRVAO-CYBMUJFWSA-N 409.125 4.639 0 1 HJAF COC(=O)c1ccnc2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc12 587047160 SLCXACTWECHQES-WAYWQWQTSA-N 415.877 4.612 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587073779 MSQAWMRQBNMZCB-QGZVFWFLSA-N 404.297 4.993 0 1 HJAF Cc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 587157501 NNYKJJSVFKPSGR-UHFFFAOYSA-N 401.239 4.608 0 1 HJAF COc1nccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161348 PYNHSTOPDMGEFV-UHFFFAOYSA-N 415.222 4.722 0 1 HJAF Cn1cc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc2n1 587341986 LASVHBBIGHHZRO-VWNXMTODSA-N 402.425 4.692 0 1 HJAF CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349118 PLORKUFYDKVDRV-WIOPSUGQSA-N 420.436 4.657 0 1 HJAF COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394437 URUQWMUTJALOCP-NRFANRHFSA-N 413.477 4.915 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1cc(F)cc(F)c1)CC2=O 587468391 UUBUUJNGISVEEA-QFIPXVFZSA-N 404.409 4.739 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OCC)c(C)c1)CC2=O 587481691 RLCGNINRRXHANM-XMMPIXPASA-N 412.482 4.777 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CCOCC1 587612928 WOLJIDAYPZUCAN-RDGATRHJSA-N 402.446 4.989 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)nc2)N1 587678525 DAPUQKCVHIUKSN-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1 587692920 CJKYVQVXFTZKHR-DYBLOJMWSA-N 422.681 4.972 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2OC(F)F)N1 587719682 QYPGBXAEWZMDPC-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)cc2F)N1 587721768 XHUHCDQKRUEJFI-ZKANADHPSA-N 404.201 4.952 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762899 GROBBBUAKFQOHL-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O 587771404 SDTPYOXUKAUQTL-GIPWTMENSA-N 401.279 4.585 0 1 HJAF Cc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587773110 IBUSWVNJYCKESM-RNODOKPDSA-N 412.306 4.977 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813455 CXZOMCAICNXPLG-MQJDWESPSA-N 418.306 4.791 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587830414 SXGTVQIHUHDTGP-APBUJDDRSA-N 404.235 4.877 0 1 HJAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587936338 KQQQGNQUVMRXJN-CWTRNNRKSA-N 419.319 4.958 0 1 HJAF O=C1CCC(c2ccccc2)(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 587970210 DEFLYCAQRANXHD-UHFFFAOYSA-N 404.695 4.803 0 1 HJAF CC(C)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962693536 APCPGULAHSQRKR-HKUYNNGSSA-N 417.349 4.621 0 1 HJAF COc1cccc(OC)c1[C@@]1(c2ccnc(C)c2)c2c(F)cccc2C[C@@H]2CCCN21 963113667 ZEFQDBLRIPSWNK-RXFWQSSRSA-N 418.512 4.859 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1C(=O)c1ccc(Br)cc1 963290086 SRTDDRIGAYZVFI-MRXNPFEDSA-N 409.121 4.624 0 1 HJAF CNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C5CC5)n4)sc3c2)ccn1 1857640899 NLSYXUDAPKMPHM-UHFFFAOYSA-N 406.467 4.684 0 1 HJAF CC[C@@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)NCc1cccc2ccccc12 2356874524 YWSZHHXMKZYLOY-GGAORHGYSA-N 401.554 4.789 0 1 HJAF O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2sccc2[C@@H]1CN1CCCCC1 3797740 AWRJQLFBUIUNHN-IBGZPJMESA-N 422.516 4.921 0 1 HJAF O=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCC(O)CC3)ccc12 12356394 OXULVTWMNORDCF-UHFFFAOYSA-N 421.537 4.856 0 1 HJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)[C@H]1CCCNC1 13528424 GKFMYDYALVUXPQ-VPHKHLIQSA-N 403.651 4.757 0 1 HJAF CCc1nc2c(n1Cc1ccccc1C)C(=O)N(C)CN2c1ccc(OC)cc1Cl 13582842 CDHYQSSHNXCETE-UHFFFAOYSA-N 424.932 4.645 0 1 HJAF C[C@H](CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1)c1ccccc1 20580983 WECRLGNJMMVICQ-LLVKDONJSA-N 416.446 4.504 0 1 HJAF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 82196534 BZMBSFMSHKRCLP-JXFKEZNVSA-N 401.576 4.817 0 1 HJAF NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccccc4)nc32)CC1 84653545 GPXJRVLKUZJOES-UHFFFAOYSA-N 412.541 4.623 0 1 HJAF COC(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C 95556990 VCCUXEIYWSFCDI-CLJLJLNGSA-N 424.500 4.575 0 1 HJAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1 96177677 PGIXKNOYEYGHJI-ZBFHGGJFSA-N 423.463 4.538 0 1 HJAF COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 103221489 ZMENUTKFAQTYKL-GBXCKJPGSA-N 405.494 4.613 0 1 HJAF COc1ccc(NCCCc2ccc3c(OC(C)=O)ccc(OC(C)=O)c3c2)cc1 103271862 WYCQQLMKBLIQQG-UHFFFAOYSA-N 407.466 4.744 0 1 HJAF CSc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 103996398 AOFSJHJDPZCEMV-HRAATJIYSA-N 413.539 4.939 0 1 HJAF COc1cc(F)c(CNc2ncc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(F)c1 149808416 OJVCSYNMLMXRSI-UHFFFAOYSA-N 421.350 4.672 0 1 HJAF N=C(N)c1ccc(COc2ccc3cc(OCc4ccc(C(=N)N)cc4)ccc3c2)cc1 169325933 CJRNEEWAVDMKLS-UHFFFAOYSA-N 424.504 4.566 0 1 HJAF O=C(/C=C1/C(=O)N(Cc2ccc(F)cc2)c2ccccc21)Nc1ccc2ncccc2c1 299864985 SJILDULZHWSBMI-PXLXIMEGSA-N 423.447 4.943 0 1 HJAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1 586881774 ZIONIGQWAOCCDT-UHFFFAOYSA-N 411.505 4.932 0 1 HJAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2c1 586905644 XPWHATZHRCNAKA-UHFFFAOYSA-N 409.511 4.877 0 1 HJAF Nc1c(-c2nc3cncc(Br)c3[nH]2)sc2cc(Br)ccc12 587030553 FQZANCFZMYQXRW-UHFFFAOYSA-N 424.121 4.947 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Cl)nc3[nH]2)c1 587050616 YUKHZPFIQLDDRN-CMDGGOBGSA-N 418.284 4.655 0 1 HJAF COc1cncc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 587088215 VMPKPCIGVQCAMH-FPLPWBNLSA-N 414.296 4.997 0 1 HJAF CSc1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587155168 AXFIAGVMLLBPLJ-UHFFFAOYSA-N 413.499 4.892 0 1 HJAF CCOC(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159669 SHGZOLODXGKANK-UHFFFAOYSA-N 400.413 4.885 0 1 HJAF O=C(N[C@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1 587218646 KHUJGMWVOOAUNS-GOSISDBHSA-N 411.383 4.981 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587240189 REOLJZCSUAALFI-UHFFFAOYSA-N 413.197 4.810 0 1 HJAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587245608 VNRSQEOGFQVDOW-UHFFFAOYSA-N 400.360 4.721 0 1 HJAF Cc1cnc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 587343748 DIELBPBXDPLDPX-XUZZJYLKSA-N 402.425 4.990 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)CC2=O 587464571 SVSLNJDQWGWECT-PKOBYXMFSA-N 424.419 4.966 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)CC2=O 587470998 PTTXJSCLAMUXAK-CVDCTZTESA-N 403.519 4.906 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccco3)c(OC)c1)CC2=O 587484195 SAYJFUKQBMXCEH-OAQYLSRUSA-N 422.433 4.872 0 1 HJAF O=C1C[C@H]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514738 OONNAVWGMUXQRM-HYBUGGRVSA-N 419.521 4.948 0 1 HJAF CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2cccc(F)c12 587634488 GWFHFVOYVBGOHA-UHFFFAOYSA-N 409.198 4.755 0 1 HJAF CCn1c(=O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21 587771433 SRHNCYNTNUQESZ-YUNKPMOVSA-N 415.306 4.547 0 1 HJAF Cc1ccc([C@]2(c3ncccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587773497 JEUKSLZXXIQSAK-QKKBWIMNSA-N 412.306 4.513 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccs3)CC2)N1 587855014 VFRUKZWOCRKBEA-CYBMUJFWSA-N 409.368 4.675 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc2c1CCCC2 587869577 MSEQRAVMCMUYBN-UHFFFAOYSA-N 407.417 4.601 0 1 HJAF Cc1c(F)ccc2c1[C@@]1(CC(C)(C)CC3=C1[C@@H](c1ccccc1)NC(=O)N3C)NCC2 962143760 IVBCCFADSZRTGK-ZEQKJWHPSA-N 419.544 4.946 0 1 HJAF COc1ccc2c(c1OC)[C@]1(CCc3cc(Br)ccc3C1)N(C)[C@H](C)C2 962630657 NRBGZINIXQRPBN-JLCFBVMHSA-N 416.359 4.727 0 1 HJAF C[C@@]1(c2ccc(OCC(F)(F)F)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732333 ZQTGBVJBUKKVQA-AEFFLSMTSA-N 417.349 4.537 0 1 HJAF COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)c2ccc(F)cc2C[C@H]2CCCN21 963094701 CTYJFMWZIUPUIU-FVUXPIOYSA-N 423.528 4.989 0 1 HJAF Fc1ccc([C@]2(CCC3OCCCO3)c3ccc(F)cc3C[C@H]3CCCN32)c(F)c1 963096675 GAFFJKQXHFNWCO-DVECYGJZSA-N 417.471 4.911 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(Cl)c(F)c1)C(F)(F)F 963577764 DTECSXLRKCRIGE-XTZNXHDOSA-N 403.803 4.836 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccc(C)n1)c1ccccc1Cl 963612719 TXGGLFQTKMHSBS-FYSMJZIKSA-N 408.929 4.887 0 1 HJAF O=C(O)C1=CN(Cc2ccccc2)C=C(C(=O)O)C1c1ccc(-c2ccccc2)cc1 1857548853 LNISJOBFWJQQCW-UHFFFAOYSA-N 411.457 4.890 0 1 HJAF CCCCN(C)C(=O)CCCCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2 1857550231 MWVSUBKGVZEESH-UHFFFAOYSA-N 413.514 4.785 0 1 HJAF CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc([C@H](C)C(=O)O)cc1)C2 1857758157 VRKBVSUBBJLUGY-HNNXBMFYSA-N 419.477 4.986 0 1 HJAF CC(=O)OCC=C(C)C[C@H](O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]12C 2356461187 XSWLZHVYMDZOHK-KVZQYWQLSA-N 406.563 4.587 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356527545 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C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OCC(C)C)[C@]2(C)[C@H]1C(=O)O 238784205 RVUAPZKQDQMXCM-MSQONEBDSA-N 418.530 4.853 0 1 HJAF O=C(CSc1nnc(SCC(=O)c2cccc(F)c2)s1)c1cccc(F)c1 299822322 PSYOOIDMFYTDRK-UHFFFAOYSA-N 422.503 4.766 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)C1 299877673 HRMDLDPDLNKBOB-AKHDSKFASA-N 410.562 4.870 0 1 HJAF CCc1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2c1 586931562 YQHHOKRBCCOGSZ-UHFFFAOYSA-N 405.523 4.926 0 1 HJAF COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F 586984576 GYSRDWGZEKETCV-GOSISDBHSA-N 404.283 4.658 0 1 HJAF CN1C(=O)/C(=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987785 GFONOSYUMRSZOV-UYRXBGFRSA-N 404.425 4.669 0 1 HJAF CC(C)(C)OC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989472 KFZOPMZAIOXZKK-ZDUSSCGKSA-N 401.462 4.598 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587028717 ZNWAVLUDWWXDRR-JQFCIGGWSA-N 400.935 4.748 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587118073 NJTKXTMZSKLDHD-UHFFFAOYSA-N 413.119 4.764 0 1 HJAF COc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1OC 587130223 PLWHVCCVTOEEHU-LURJTMIESA-N 406.767 4.915 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587168130 SOZBBZLNHVENCT-INIZCTEOSA-N 408.355 4.970 0 1 HJAF COCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331016 HCCVERLAMSGHHT-ISKFKSNPSA-N 410.416 4.961 0 1 HJAF COc1cc2c3c(c1)O[C@](CCCN1CCC(C)CC1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426670 FNHUTTJYLWZTDZ-BKMJKUGQSA-N 423.528 4.989 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3cccnc3)c1)CC2=O 587472136 XLMDCGPRQVMOKQ-VWLOTQADSA-N 416.477 4.873 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCC(=O)OCC)cc1)CC2=O 587482624 PKLZTQBJDRYJJG-DEOSSOPVSA-N 412.482 4.557 0 1 HJAF COc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587501010 VYGHOYPPDBQQFK-GOSISDBHSA-N 403.272 4.749 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC(F)(F)F 587552677 BEDHBCDYBDJRIP-PXNSSMCTSA-N 402.324 4.994 0 1 HJAF CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595984 MLHYSCWWPOGPTJ-PWAGRJGVSA-N 412.482 4.872 0 1 HJAF CC[C@H](C)Sc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587608519 RJQLBLZTDGCHTB-LTBCBRHQSA-N 408.479 4.776 0 1 HJAF Cc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587688068 WFMWJBCGEDTTAI-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1 587723828 CJZLPUYZPXLPEN-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF COCc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587802451 SBQPCNQJHSYUCU-ODXCJYRJSA-N 408.311 4.541 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC2CCOCC2)N1 587833624 GTRBWOCYSOSKSD-ZSEKCTLFSA-N 420.322 4.770 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cccs2)N1 587851778 JMYHPFHABVYRTM-CWTRNNRKSA-N 403.320 4.871 0 1 HJAF CC(=O)CCCC[C@]1(c2ncco2)NC2(CC2)Cc2ccc(Br)cc21 961614886 NIZIMTRYMLIWJM-FQEVSTJZSA-N 403.320 4.508 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(c1cccc(Br)c1C)N(C)[C@H](C)C2 962626770 GEBGJZVLSBARAF-ASSNKEHSSA-N 404.348 4.915 0 1 HJAF CC(C)(C)[C@@]1(c2ccc(CN)s2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693258 BHTOLPSKUVMMHH-NYHFZMIOSA-N 404.620 4.999 0 1 HJAF COc1ccccc1CC[C@@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903230 MEBNTTDNLYERNF-OZXSUGGESA-N 419.496 4.618 0 1 HJAF CN1C(=O)C[C@H]2CN[C@](c3ccc(F)cc3)(c3cncc4ccccc34)c3cccc1c32 963032008 PGNFLYDZUHOUEQ-MYUZEXMDSA-N 423.491 4.719 0 1 HJAF C[C@@H]([C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@@H]4C)N(C)C 2356450817 KDKFZGZVPVIBCE-QLCLLBEWSA-N 414.678 4.973 0 1 HJAF CCOc1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O 11709541 BIAXDIHWWIGRNN-QGZVFWFLSA-N 407.432 4.905 0 3 HJAF O=C(C[C@H]1C(=O)N(c2ccc(F)c(F)c2)C[C@@H]1Cc1ccccc1)Nc1ccccc1 15935268 CAMKTVWXBOGTJR-GHTZIAJQSA-N 420.459 4.815 0 3 HJAF CC(=O)N1C[C@@]2(CC(c3ccc(Cl)cc3Cl)=NO2)CN1c1cccc(Cl)c1 61920881 MQPMQSNOOFTFIJ-IBGZPJMESA-N 424.715 4.794 0 3 HJAF Cc1ccccc1-n1c(=O)c2ncn([C@H]3CCCO3)c2n(-c2ccccc2C)c1=S 1648105 ZJVYHEIWKNMKTK-LJQANCHMSA-N 418.522 4.633 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4206833 PVLIZRQWKODICW-GGAORHGYSA-N 422.887 4.930 0 1 HJAF CCc1ccc(-n2cnc3c(sc4nccc(NCC(F)(F)F)c43)c2=O)cc1 13676179 HVNDCFLLFFZJIK-UHFFFAOYSA-N 404.417 4.532 0 1 HJAF COc1cccc(CNC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)c1 29131247 BVGHDOMJGHGNCJ-UHFFFAOYSA-N 413.477 4.959 0 1 HJAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1ccc2ccccc2n1)OCO3 29568130 ZSJSEYNYAIGRLC-MRXNPFEDSA-N 422.488 4.749 0 1 HJAF Cc1cccc(COc2ccc(Br)cc2Cn2nc(C(=O)O)cc2C)c1 40567053 YEYGLBZGRJWSSO-UHFFFAOYSA-N 415.287 4.588 0 1 HJAF CC(=O)N1CCC[C@@]1(Cc1ccc(F)cc1C(F)(F)F)C(=O)OCc1ccccc1 49067453 DGULSCCZGHBPSG-OAQYLSRUSA-N 423.406 4.512 0 1 HJAF CC(=O)c1cccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)c1 82078347 UNUXCPVAALQESB-UHFFFAOYSA-N 412.493 4.888 0 1 HJAF COc1ccccc1CCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 82132825 YJGKFUZQVQQHPA-UHFFFAOYSA-N 418.541 4.535 0 1 HJAF Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2C[C@@H]2CCCO2)o1 82188388 IVNBFQDPMMUPOR-LPHOPBHVSA-N 417.513 4.789 0 1 HJAF Cc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2CC[C@@H]2CCCN2C)o1 82190479 VLOMOGKUHRIOMD-INIZCTEOSA-N 422.558 4.553 0 1 HJAF O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84653223 DOQRWMBJOSFWPI-UHFFFAOYSA-N 400.526 4.695 0 1 HJAF O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl 95893315 BJDZFTPRLIYMBG-KMDXXIMOSA-N 424.972 4.596 0 1 HJAF COc1ccc(-c2[nH]c(SC)nc2-c2cc(OC)c(OC)c(OC)c2)c(OC)c1 96906257 GEDMXIIRDKBBBV-UHFFFAOYSA-N 416.499 4.509 0 1 HJAF O=S(=O)(Oc1ccccc1)[C@@H]1C[C@@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1 101420359 SMXPPKCVRDKVBA-IMSXRSKXSA-N 404.487 4.546 0 1 HJAF COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cc[nH]c(=O)c2)c(F)c1 143170004 GGKJOYYMGVWXAT-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@@H]2CC[C@H](CO)C2)cc1)c1nc2ccccc2[nH]1 143678335 PBAYSSFAKIJKMQ-FUHWJXTLSA-N 413.477 4.857 0 1 HJAF O=C(NC1(c2ccccn2)CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148390720 FDPOVFKWURWDOS-UHFFFAOYSA-N 423.476 4.827 0 1 HJAF Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)C(=O)N(Cc1ncccn1)CCO2 206205405 UQUNQAUOWGGDML-UHFFFAOYSA-N 413.399 4.506 0 1 HJAF CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@]32CO2)[C@@H](OC(C)=O)O1 299811436 PUYSRPOTFNSFGW-PYFQTXRXSA-N 420.546 4.513 0 1 HJAF CC(=O)Nc1c(CCc2ccccc2)oc2c(Br)cc(Cl)cc2c1=O 299837491 ORPJTTYDGIUYCH-UHFFFAOYSA-N 420.690 4.953 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 586904421 WHKOEWUQOLNPTH-UHFFFAOYSA-N 417.259 4.590 0 1 HJAF CCOC(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977960 SZWVYHWRUYJEFT-UHFFFAOYSA-N 409.667 4.735 0 1 HJAF COCCN1C(=O)CC[C@H](c2nc3ccc(F)c(C)c3[nH]2)[C@H]1c1ccccc1Cl 587062122 TXXJAUMYILBSKU-YCRPNKLZSA-N 415.896 4.758 0 1 HJAF O=C1COc2cc3[nH]c(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)nc3cc2N1 587071757 PXOSBLPHFKVOEI-UHFFFAOYSA-N 411.248 4.930 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587108995 KPUYYQWMBJTGSP-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(F)c2)c1 587138157 BELLTBBHBMRYBS-UHFFFAOYSA-N 420.297 4.634 0 1 HJAF COC(=O)c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cn1 587159720 UWTCKTBTXZHROG-IBGZPJMESA-N 411.820 4.705 0 1 HJAF NC1CCC(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC1 587256404 HVDNVRCFLNIVIS-UHFFFAOYSA-N 420.410 4.958 0 1 HJAF C[C@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342748 PQBLQSZBCQQQMJ-ILBGXUMGSA-N 414.436 4.991 0 1 HJAF Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587345346 ZFWSRDCORSGFGO-URXFXBBRSA-N 402.425 4.692 0 1 HJAF CCOC(=O)C[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350967 SRXUPEBYNRRWGV-GMAHTHKFSA-N 400.446 4.628 0 1 HJAF CCOC(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353425 ZFBGUYGMZNVXGC-NFBKMPQASA-N 400.446 4.628 0 1 HJAF Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587412864 DCWQHSQBOADHPA-XMMPIXPASA-N 404.535 4.927 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCN(C(=O)OCc3ccccc3)C1)CC2=O 587474729 JDOYHGMPUXQXLF-VWLOTQADSA-N 423.509 4.871 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)cc3)nc1)CC2=O 587489279 TVZPFGRLMXPLKV-QHCPKHFHSA-N 417.461 4.900 0 1 HJAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)o1 587621742 IHQKQNWWYDLUIB-UHFFFAOYSA-N 412.165 4.958 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587743578 OXANTWVYUOZPBE-QKVFXAPYSA-N 417.322 4.661 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2N)N1 587747236 KWZAPMZAFWODLQ-JLCFBVMHSA-N 411.318 4.997 0 1 HJAF Cc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587761732 VEYAQEYSSKRBMY-ZUOKHONESA-N 400.295 4.706 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(=O)OC)cc1OC 587865856 MCPYOXXOHNCHIO-UHFFFAOYSA-N 420.387 4.752 0 1 HJAF COc1ccc2c(c1)[C@]1(N[C@H]3CC[C@H]23)C(C(=O)O)=CN(C(C)C)c2ccc(Cl)cc21 962995705 NQWULYRLKBPXSV-QATBIIFWSA-N 424.928 4.638 0 1 HJAF CC(C)c1nn(C)cc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831329 FSRNVWNUIPFFJW-DEOSSOPVSA-N 400.526 4.839 0 1 HJAF CCn1c(=O)c2cc(C(=O)N(C)c3ccc(OC)cc3OC)sc2c2ccccc21 9611111 VIXPZRYOHSDUCY-UHFFFAOYSA-N 422.506 4.530 0 3 HJAF O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(C2CC2)nn1 61923944 FRBFSROABWDIGK-DNVJHFABSA-N 414.981 4.738 0 3 HJAF CN1C2=N[C@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1Cc1ccccc1 203471827 PWDBNIPFQWAUDA-DNKPEDNNSA-N 407.517 4.914 0 3 HJAF CCOc1ccc2nc(N3CCC[C@@H](N(C)Cc4ccncc4C)CC3)nc(C)c2c1 12151926 CVYDXKVHYUXBLD-OAQYLSRUSA-N 419.573 4.531 0 1 HJAF CCO[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563137 ANSOPDAAFLKBAI-GGAORHGYSA-N 421.493 4.791 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cnc2ccccc21)C(F)(F)F 34802064 JJSZJRHRVRGDNH-HXUWFJFHSA-N 410.411 4.845 0 1 HJAF COc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189178 FFFBLUYUGVALAT-XWDDVNRWSA-N 422.569 4.547 0 1 HJAF Cc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(Br)c1 40406673 AMXFBJCSYDYPNY-UHFFFAOYSA-N 409.291 4.521 0 1 HJAF CN1CCN(c2ccnc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc23)CC1 45187979 BRXXPAXXYWGWTQ-UHFFFAOYSA-N 415.324 4.546 0 1 HJAF N=C(N)c1cc2cc(-c3cccc(O[C@@H](C(N)=O)c4ccc(F)cc4)c3)ccc2s1 45355348 DYSGBMMZEKOKHY-OAQYLSRUSA-N 419.481 4.597 0 1 HJAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccccc3C)CC2)o1 53298168 RPOSFRWJZDHBGE-UHFFFAOYSA-N 418.585 4.514 0 1 HJAF CCCc1nc2cc(C(=O)OC)[nH]c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 66098667 IAZUJLMODIIVAT-UHFFFAOYSA-N 417.465 4.517 0 1 HJAF O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1 72127924 AUQNPCFBIYVHNH-YTFSRNRJSA-N 414.981 4.738 0 1 HJAF CN(C)c1ncc(-c2nc(C3CCOCC3)oc2Sc2ccc(Cl)cc2)cn1 72317515 TZYOOEBGLXZLHG-UHFFFAOYSA-N 416.934 4.896 0 1 HJAF CCCCc1ccc(-c2csc(N[C@H](C(=O)NCCOC)[C@@H](C)CC)n2)cc1 82192468 HRMCPWWMRGEAAT-JXFKEZNVSA-N 403.592 4.742 0 1 HJAF O=C(CCCNc1nc(-c2cc3ccccc3o2)cs1)NCCOc1ccccc1 82195759 HYIAQXLYGFDEEE-UHFFFAOYSA-N 421.522 4.944 0 1 HJAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3)c1 95798421 GXVWFRBIVXCGPX-TUSQITKMSA-N 420.553 4.619 0 1 HJAF CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3c[nH]c4ccccc34)c2)nc1N 103267327 FXPCFXNDBASEIV-UHFFFAOYSA-N 417.469 4.649 0 1 HJAF CCc1c(CC(=O)O)cnn1Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 168910121 TUTGMSGRBCPLSQ-UHFFFAOYSA-N 413.477 4.526 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCCC4)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 169361487 RLOJIHUMKRBJCL-UCKOTGOJSA-N 421.581 4.971 0 1 HJAF CC1=C[C@@H](/C=C(\C)CCCC2=CCOC2=O)[C@]2(OC(=O)C(C)=C2O)[C@@H]2[C@@H](C)CC[C@@H]12 205229409 AWERMEJPIQQCKA-UCIHUXMZSA-N 412.526 4.952 0 1 HJAF CC[C@H](C)CC(F)(F)[C@]1(O)CC[C@@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1 504477377 SDDSJMXGJNWMJY-KNNACDGKSA-N 404.494 4.556 0 1 HJAF biogenic Oc1ccc(C2(c3nc4ccc(OCc5ccccc5)cc4[nH]3)CCOCC2)cc1 586911930 AYCOMKNCVIWNSA-UHFFFAOYSA-N 400.478 4.944 0 1 HJAF Cc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 586968773 QMBAVLYQZMWVGP-HOTGVXAUSA-N 419.554 4.720 0 1 HJAF CCOC(=O)CCc1c(-c2ccccn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987917 IAESXUKISHDLBB-UHFFFAOYSA-N 424.456 4.710 0 1 HJAF Cc1cc(Cl)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587000078 LTAYUAMXIDWLTM-UHFFFAOYSA-N 405.635 4.766 0 1 HJAF Cc1nc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1Br 587016693 ANKHEUKXHFFAFT-UHFFFAOYSA-N 406.696 4.868 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1)c1cc(F)ccc1F 587140861 SPVFKSDZGCMXSN-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF O=C(Nc1cccc(-c2nc3ccnc(Br)c3[nH]2)c1)c1ccc(F)cc1 587163673 QTXFTSFUGCMHNP-UHFFFAOYSA-N 411.234 4.779 0 1 HJAF FC(F)(F)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1 587183930 LPJCTDJLGSXYOP-SNAWJCMRSA-N 415.156 4.752 0 1 HJAF O=C(/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1ccccc1 587245553 ZMDZDBPXGMHGPC-SREVYHEPSA-N 410.193 4.996 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C(F)(F)F)c1O)O2 587381762 LGJZBTGUCACJBO-CQSZACIVSA-N 416.193 4.771 0 1 HJAF COc1cc2c3c(c1)O[C@](COCc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429005 QTXVTYULGFTUQX-SQJMNOBHSA-N 404.437 4.694 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2=O 587478016 ZEEMFKVNRBLQCS-DXMSMQRWSA-N 415.530 4.716 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580940 TXXJYAYYLKUETM-RDGATRHJSA-N 415.445 4.544 0 1 HJAF CCCCN(CCCC)c1ccc(-c2nn(C(=N)S)c(=O)c3ccccc23)c(O)c1 587667277 YGMCBOXUUNQJCG-UHFFFAOYSA-N 424.570 4.888 0 1 HJAF CCCCC[C@]1(c2cn(C)nc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587755252 HGBFUXSSJPGVON-ZUOKHONESA-N 408.359 4.988 0 1 HJAF Cc1ccc2nc(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587776816 DUKGIBRUKZFWDC-WYRIXSBYSA-N 401.279 4.774 0 1 HJAF COc1ccc2cc([C@@H](C)c3nc4ccc(CN5CCOCC5)cc4[nH]3)ccc2c1 587934619 KCVOBECFRQKMQA-QGZVFWFLSA-N 401.510 4.709 0 1 HJAF COc1c(C)cccc1[C@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963188253 VZDCDUPJUXJWOZ-APWZRJJASA-N 413.823 4.538 0 1 HJAF C[C@@]1(CCCC(F)(F)F)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190875 YAOQGEBAWIGTSZ-YGRLFVJLSA-N 403.750 4.906 0 1 HJAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2c(-c3ccccc3)cc3ccccn23)N1 963223346 AGBOZUADRAXHES-RPBOFIJWSA-N 419.484 4.843 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(C)CC(=O)c1cc(Cl)ccc1O 963288467 BODWTEPBSXWINX-LJQANCHMSA-N 408.723 4.784 0 1 HJAF CC[C@@H](Cc1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963507490 HYGNUVOMQOXOPH-DDZLNHKNSA-N 415.533 4.812 0 1 HJAF CCOP(=O)(OCC)[C@@H](N(O[C@@H](C)c1c[n+](C)cn1C)C(C)(C)C)C(C)(C)C 1857579517 SWPSBFJFCWSDLA-FUHWJXTLSA-N 418.539 4.581 0 1 HJAF CCC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 61923257 OSHGRADQSGQBFL-HNAYVOBHSA-N 415.331 4.857 0 3 HJAF CC(C)(C)NC(=O)[C@@H](c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95566804 OOZQTHKAIOXNLI-HSZRJFAPSA-N 411.505 4.568 0 3 HJAF Clc1ccc(CN2CCO[C@@H](COc3ccc(Cl)c4cccnc34)C2)cc1 13579626 CXJZXQCJAQVMSS-QGZVFWFLSA-N 403.309 4.821 0 1 HJAF CCCCC1(CCCC)CS(=O)(=O)c2ccc(N)cc2[C@@H](c2ccccc2)[C@H]1O 13672978 QWPHSYUKFKPYNK-DHIUTWEWSA-N 415.599 4.916 0 1 HJAF COc1cc(/C=C/C(=O)O[C@H]2CC(C)=C3CC[C@H](C)[C@@H]3C[C@@H]2C(C)(C)O)ccc1O 15265008 UJHQSMHJLBMXAL-UYVCMBBFSA-N 414.542 4.869 0 1 HJAF O=C1C[C@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27082709 KQSLDFBAKAIPJB-LLVKDONJSA-N 418.674 4.567 0 1 HJAF Cc1csc2nc([C@H](C)NC(=O)/C=C(\c3ccccc3)c3cccs3)oc(=O)c12 27518664 ZTAFVQVUYGQIRT-LUYJPIOASA-N 422.531 4.929 0 1 HJAF O=C(Nc1cccc(-c2ccc(CN3CCNCC3)cc2)c1)c1cccc(Cl)c1 45334911 LIONNKUUONRCHH-UHFFFAOYSA-N 405.929 4.665 0 1 HJAF COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F 66157124 RSUCTBRHQBMPJI-AQKFKSFVSA-N 419.443 4.913 0 1 HJAF CCCCCOc1cccc2c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c[nH]c12 72107442 WISXXMDPHANXTP-UHFFFAOYSA-N 408.542 4.796 0 1 HJAF COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)c1 82165949 CRBSHURWRJLXOJ-UHFFFAOYSA-N 420.469 4.680 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H]1CCCO1 82180275 YJANXNRLYDFEAQ-FQEVSTJZSA-N 405.546 4.974 0 1 HJAF Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2C[C@@H]2CCCO2)o1 82188383 IVNBFQDPMMUPOR-APWZRJJASA-N 417.513 4.789 0 1 HJAF O=S(=O)(c1ccccc1)c1ccc2c(c1)c1c(n2-c2ccccc2)C[C@H]2CC[C@@H]1N2 96175212 WCHOTFXBPCUYEP-VGSWGCGISA-N 414.530 4.813 0 1 HJAF CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OC(F)F 103539379 LKZXFKBEDVUQLO-KRWDZBQOSA-N 404.417 4.586 0 1 HJAF Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CCC(F)CC3)cc12 169321254 UMNXUNOTCQHTKC-UHFFFAOYSA-N 410.440 4.893 0 1 HJAF CCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)cc(OC)c1Cl 219348976 RKRDVEBFGMJINX-UHFFFAOYSA-N 423.904 4.859 0 1 HJAF COc1ccc(-c2ccc(NC(=O)c3cc(OC)c(OC)cc3OC)c(F)c2)cc1 299826319 GUCGQTYAGXQXON-UHFFFAOYSA-N 411.429 4.779 0 1 HJAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1 473153582 BRKUTQGSVAOCPC-UHFFFAOYSA-N 415.232 4.948 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2n1 587067966 DDXSSSDAUDDBII-UHFFFAOYSA-N 419.828 4.511 0 1 HJAF Cc1nc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1Br 587132151 LIRCCVLBNCTDRT-NSCUHMNNSA-N 404.136 4.895 0 1 HJAF CCc1ccccc1NC(=O)c1nc2cc(Br)c(OC(C)C)cc2[nH]1 587241587 XRZSYPJMMQIIOT-UHFFFAOYSA-N 402.292 4.927 0 1 HJAF Cn1ncc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587339203 FJZXVHNHMHZQJB-UPVQGACJSA-N 402.425 4.692 0 1 HJAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348089 GGROJMMLQJKLKL-WIOPSUGQSA-N 418.420 4.519 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc4c(c3)OCCO4)cs1)CC2=O 587498088 YPAPLTNPAYYOKJ-OAQYLSRUSA-N 423.490 4.946 0 1 HJAF C[C@]1(c2cnn(-c3ccccc3F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567613 HYOIXGYNKVHPRT-ZJSXRUAMSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc(O)ccc1-c1ccc(O)cc12 587605522 AMKLWTPHTVJLPM-QHCPKHFHSA-N 424.408 4.689 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC[C@@H]2CCCO2)cc1 587619444 XXHJKROEVQEZQY-KDSXSNECSA-N 418.445 4.653 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2occc2Br)N1 587680241 OKJLFUPWKSPPGP-GLEZIHRCSA-N 403.089 4.741 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587711648 XQPLMCYBNUMQDE-DYZYQPBXSA-N 416.212 4.741 0 1 HJAF Cc1ccnc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587758740 XYOYNDTXVRBGII-ZUOKHONESA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCN(Cc3ccccc3)C2)N1 587759319 FTMQGAZOGWYIFA-ZVGUJKQYSA-N 403.339 4.686 0 1 HJAF Brc1cnc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc12 587780786 IPOZWNTXAAWUDG-QPJJXVBHSA-N 423.108 4.713 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798094 NUKLLNWRJWHUTL-RBZFPXEDSA-N 412.343 4.851 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587800668 YDZQOPZBZGULCF-YPENRWOSSA-N 420.322 4.565 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCCO3)N1 587836090 RPROIRPESJIFNY-ZSEKCTLFSA-N 420.322 4.742 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)o2)N1 587841433 BJMLXAPMOOGDKP-DYZYQPBXSA-N 420.307 4.746 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 587862675 VPALKWMIPPXWIF-RKOMNEFPSA-N 420.431 4.549 0 1 HJAF COc1ccccc1NC(=O)C1CCN(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)CC1 653757873 RJYYVPPZQLWHRU-LJQANCHMSA-N 422.569 4.875 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccccc1OCc1c(C)noc1C)N(C)[C@@H](C)C2 962642102 YKMSIHBFIAYUCJ-OWJWWREXSA-N 422.525 4.853 0 1 HJAF CC(C)(C)OC(=O)Nc1ccnnc1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962670140 QIROEFAURSXWJI-OAQYLSRUSA-N 402.498 4.726 0 1 HJAF Cc1ccc([C@]2(CCCC(=O)O)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962714849 TUOKMCWTOMPJRK-YADARESESA-N 413.558 4.996 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2nc(-c3ccc(OC)cc3)no2)N1 962963860 XFUBVJUBSBYMND-UPCLLVRISA-N 402.498 4.609 0 1 HJAF COc1cc(N(CC2(C)CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772597041 AANFOUCBNMVANI-SJORKVTESA-N 414.889 4.585 0 1 HJAF CN1CCC[C@H]1CCO[C@H](c1cc2nccc(C(=O)O)c2[nH]1)c1ccccc1Cl 1772634927 FLCRYTPTFPDXRU-QKKBWIMNSA-N 413.905 4.505 0 1 HJAF CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccc(F)c3)cc2c1 8716793 BJYITUJTNCQMIG-UHFFFAOYSA-N 420.440 4.502 0 3 HJAF C[C@@]1(C(=O)NCCC(F)(F)F)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61896273 GZSORJPBPKEQLN-KRWDZBQOSA-N 418.337 4.530 0 3 HJAF O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61905041 HIXKVYXXRJDSCF-SFHVURJKSA-N 402.347 4.849 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCOc1ccccc1 4216140 LQQYGAJBROJHFR-RPWUZVMVSA-N 424.541 4.904 0 1 HJAF O=C([C@@H]1CS[C@H](c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 13737438 CGDAQHGJRXOMFU-JTHBVZDNSA-N 415.518 4.659 0 1 HJAF COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccncc3)c1)CC2 13806114 UIOUZAKDFIQYKJ-UHFFFAOYSA-N 414.387 4.766 0 1 HJAF CCCC[C@@H]1NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833598 XAAHVRZYKXNCEC-JOCHJYFZSA-N 406.526 4.813 0 1 HJAF CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc4c(c3O[C@@H]21)C[C@H](O)C(C)(C)O4 15217336 UNODSKHATHZQGW-OEOAZWSVSA-N 408.494 4.585 0 1 HJAF in-vivo CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2[C@H]1O3 26146768 BDIZCMDNZUBLMP-HSZRJFAPSA-N 406.482 4.501 0 1 HJAF O=c1[nH]c(C2=C[C@H](N3CC=C(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12 28954716 JEGFQXAJZIUNBP-LJQANCHMSA-N 403.913 4.912 0 1 HJAF C[C@](O)(C[S@@](=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 34801511 GJCXIQFUTFASBU-SOKVYYICSA-N 419.827 4.995 0 1 HJAF O=C(O)Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1 45319149 XZUAUZIYVQHING-UHFFFAOYSA-N 417.870 4.560 0 1 HJAF COc1cc2nc(N3CCCC3)nc(NCCCCc3ccccc3)c2cc1OC 82128955 LMNVUMGCLDVVPZ-UHFFFAOYSA-N 406.530 4.682 0 1 HJAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc(C)c2)C1 82145619 HMSHOIISBHXGIN-RTBURBONSA-N 410.562 4.551 0 1 HJAF Cc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)cc1 82152646 HJSBZFHJTHWNCL-UHFFFAOYSA-N 418.516 4.872 0 1 HJAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12 88345906 WHTDAHRBXMCQQF-INIZCTEOSA-N 420.476 4.615 0 1 HJAF COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1OC 102704506 JOPSMJSTROOUEO-JOCHJYFZSA-N 405.454 4.734 0 1 HJAF Cc1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)n2c1 206118393 CYHBIKSLEMCECT-UHFFFAOYSA-N 423.423 4.766 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ncc2c(Cl)nccn12 586987236 UQHVIDDYXRNJJZ-ZDUSSCGKSA-N 424.847 4.536 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(=O)c1ccccc1)[C@@H](C2)C3=O 587441861 JFTYGGMAGDWWBE-DFBJGRDBSA-N 400.430 4.577 0 1 HJAF CC(C)(C)OC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520512 DKFGOTRFKPWAAX-QFIPXVFZSA-N 408.494 4.992 0 1 HJAF CCOC(=O)Nc1snc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587537645 JNHMKWQBHSWCQK-NRFANRHFSA-N 400.500 4.779 0 1 HJAF C[C@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584045 YTGHDRCLPMSTCN-WIOPSUGQSA-N 412.445 4.514 0 1 HJAF COc1ccc2c(c1)[C@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614969 DYWJEMMYSPCAOF-OFVILXPXSA-N 418.445 4.819 0 1 HJAF CCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@@H](C)C2 587615211 FJXXZWCPWGHNMA-YNLFQQRNSA-N 418.445 4.817 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(Cl)cc3c2=O)N1 587692951 CJKYVQVXFTZKHR-YYSFKGJASA-N 422.681 4.972 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)nc3ccccn23)N1 587705693 NWMTVUHCABDGGC-XTZNXHDOSA-N 408.702 4.687 0 1 HJAF O=C([C@@H]1Cc2ccccc2[C@H]([C@H]2CCc3[nH]c4ccc(F)cc4c3C2)N1)C(F)(F)F 962773491 WOKISBXBGMAJLF-ZEWGMFERSA-N 416.418 4.799 0 1 HJAF Cc1ncsc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857546091 GLEHOEDOVMCQKF-UHFFFAOYSA-N 416.428 4.543 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C(C(=O)OC)[C@@](C(=O)CCCC)(CC3)[C@H]21 2356350638 HADAHVQGKBBPPW-SGXRQLTRSA-N 412.526 4.819 0 1 HJAF C[C@H](N)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3CC[C@@]12C 2356559497 FNCLBKRKCPCSJN-MQZSAACXSA-N 400.651 4.760 0 1 HJAF CC1=C[C@H](CN2CCN(C)CC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356565885 OPSSFJQTOFGNKS-WXFUMESZSA-N 422.617 4.690 0 1 HJAF Cc1c(O)c(-c2c(O)c(C)c3c(c2O)CO[C@H](C)[C@@H]3C)c(O)c2c1[C@@H](C)[C@H](C)OC2 2356751837 QQSDXJQCNPKBHF-TXFQPVFDSA-N 414.498 4.837 0 1 HJAF CC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2C=C(C)CCC=C(C)CC[C@@H]2[C@](C)(O)[C@@H]1OC(C)=O 2356798064 OVEVGFJFJBVGGZ-DLFLOYDBSA-N 406.563 4.586 0 1 HJAF CC(C)C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921313 PAKMMLUPVPGIKD-HXUWFJFHSA-N 401.441 4.509 0 3 HJAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](C)C(C)C)c(OC)c1 776851 BETORDWZSVVUTR-CQSZACIVSA-N 412.461 4.939 0 1 HJAF CCCCOC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 13860460 AVQSKRVRRIRGIP-IBGZPJMESA-N 416.880 4.761 0 1 HJAF Cc1cc(Cl)n2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1 13861607 OVYAYSFNSQBXIU-UHFFFAOYSA-N 415.877 4.568 0 1 HJAF CC(C)[C@@H]1Cc2cc(OCc3ccc(-c4nnn[nH]4)cc3)c(Cl)c(Cl)c2C1=O 28343001 ZJPTZNVXUMZUFL-AWEZNQCLSA-N 417.296 4.764 0 1 HJAF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccccc3)c2c1 35079458 GGYIMXWHSBXJHO-ZDUSSCGKSA-N 413.882 4.873 0 1 HJAF CC[C@H](C)c1ccc(-n2c(Nc3ccccc3)nc3cc(S(N)(=O)=O)ccc32)cc1 45190970 HHMVOGLHHLIUKR-INIZCTEOSA-N 420.538 4.930 0 1 HJAF CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)C1CCCC1 72109719 IUEXUFFFCHAVAJ-IBGZPJMESA-N 416.934 4.544 0 1 HJAF COc1cccc(CNc2nc(N3CCCCCC3)nc3cc(OC)c(OC)cc23)c1 82126826 LYHQZMNMRGKQLK-UHFFFAOYSA-N 422.529 4.648 0 1 HJAF O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(Oc2ccccc2)cc1 95578066 PBSNXRQAPKBFAK-HXUWFJFHSA-N 404.418 4.621 0 1 HJAF COc1cc(CNC(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc(OC)c1 103234390 CXSJSVUDNSFROS-UHFFFAOYSA-N 421.537 4.807 0 1 HJAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103871926 NNECPDTXWBLIIP-VLIAUNLRSA-N 401.528 4.915 0 1 HJAF O=C1CC(=O)N(c2cccc(-c3noc(=S)[nH]3)c2)c2ccc3ccccc3c2N1 145237306 BNMITFGQPNUZHK-UHFFFAOYSA-N 402.435 4.559 0 1 HJAF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 146827322 NEMWYOKGHGSVSC-SECATLSXSA-N 415.662 4.563 0 1 HJAF CCCCCc1ccc(C(=O)NCCn2cc(Cc3c[nH]c4ccccc34)nn2)cc1 169328184 VIHYDUMRYBKXNG-UHFFFAOYSA-N 415.541 4.513 0 1 HJAF CC1(C)O[C@@](c2ccccc2)(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C1=O 169344272 NWBJYCWSDIIZNB-VWLOTQADSA-N 419.908 4.948 0 1 HJAF c1cc(-c2ccc(-c3ccc(C4=NCCCN4)cc3)s2)ccc1C1=NCCCN1 196190938 BYDWPKVGTMZKBH-UHFFFAOYSA-N 400.551 4.562 0 1 HJAF CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2OC)cc1 584598264 LJVDDAKSLFFVPC-UHFFFAOYSA-N 405.450 4.848 0 1 HJAF N[C@@H](N=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138774 VHHKDXKVGLZXQK-IBGZPJMESA-N 408.364 4.597 0 1 HJAF CC(C)[C@@H](c1nc2ccc(Br)nc2[nH]1)N(C)C(=O)OCc1ccccc1 587197620 KTTGHULIKYBMPX-INIZCTEOSA-N 417.307 4.686 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239642 MLTGZHBISKJBSM-KAJFERSBSA-N 423.916 4.910 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587444723 UBPBWYCWGYKGRW-YKSBVNFPSA-N 400.430 4.638 0 1 HJAF C[C@@]1(c2ccc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551685 IKVUVZTWRWRIGK-JXFKEZNVSA-N 402.233 4.971 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2F)o1 587570777 YMCLDTVQHFVXOQ-AUSIDOKSSA-N 403.365 4.889 0 1 HJAF C[C@@H]1C[C@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581830 JEEBSECMDOJJAH-LZECLLPCSA-N 415.489 4.777 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(O)c2)N1 587680664 UYRHNVHOILVXGX-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2Br)N1 587681024 WAKVOFXZNWJUCY-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O 587692024 JIIAHIKNFSBBMV-VPTHRUTESA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587705022 KMGLDCNNMWAAIL-JDNHERCYSA-N 410.249 4.885 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587789706 BHSHMBKKIAIFAE-ODXCJYRJSA-N 400.295 4.910 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H]2CCOC2)(c2ccccc2)N1 587837187 ZZJQBNIBRSOSOC-WIEQDCTASA-N 404.323 4.793 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)nc3sccn23)N1 587857960 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CC[C@@H](CC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)Cc1cc[nH]c1 2356406205 PUYCWXPLVBRWMS-AVRDEDQJSA-N 415.530 4.602 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356819175 DZQZPPMTZCGVOX-DTQKFQQZSA-N 424.581 4.512 0 1 HJAF CN(C)CCN(Cc1ccccc1)c1ncnc2onc(-c3ccc(Cl)cc3)c12 13367258 DVHIUXYAKSDGFJ-UHFFFAOYSA-N 407.905 4.506 0 1 HJAF CCOCn1nnc(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1-c1ccc(F)cc1 13489728 LEDURWGCOQOQLD-INIZCTEOSA-N 418.476 4.708 0 1 HJAF COc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1 38253416 VVOCDZXSPRDCKW-UHFFFAOYSA-N 408.483 4.532 0 1 HJAF O=C(NCCc1ccccc1)C(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1 42890398 PDDCEOHGYSMWOW-UHFFFAOYSA-N 423.512 4.791 0 1 HJAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 43062531 NYXNXOSWSITQDA-HXUWFJFHSA-N 412.599 4.555 0 1 HJAF NC(=O)c1ccccc1-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 96168383 IDXYPVGXAGNVGW-UHFFFAOYSA-N 421.460 4.537 0 1 HJAF 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CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@H]12)C(=O)O[C@]4(O)C[C@@]3(C)O 2356565768 KNMOPFLBPXTWRO-WICAEWJOSA-N 400.559 4.530 0 1 HJAF COc1ccc(CN2CC[C@]2(C)C(=O)Nc2cnc3ccccc3c2)c2ccccc12 61903169 SSSIWFKFJACEHB-AREMUKBSSA-N 411.505 5.000 0 3 HJAF CN1C(=O)C(c2cn(C)c3ccccc23)(c2cn(C)c3ccccc23)c2ccccc21 136291055 DLSUXIIUWKIWEP-UHFFFAOYSA-N 405.501 4.981 0 3 HJAF CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccc21 206032736 YYMCCSFKDFGXHE-QHCPKHFHSA-N 402.494 4.924 0 3 HJAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C1=O 13527930 YJSCMXUGMNUEOB-TZIWHRDSSA-N 407.901 4.900 0 1 HJAF Fc1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1F 13582659 WYLUFGCIPSWIIG-UHFFFAOYSA-N 400.392 4.875 0 1 HJAF CN(C)Cc1cc(OCCCN2CCCCC2)ccc1Nc1ncnc2ccccc12 28703622 XKJWHIKEQTVYTN-UHFFFAOYSA-N 419.573 4.690 0 1 HJAF CN(C)Cc1cc(OC[C@H]2CCCN(C)C2)ccc1OCc1ccccc1Cl 28703626 QMWPZWLGODFRSH-SFHVURJKSA-N 402.966 4.701 0 1 HJAF O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(CC1CC1)C[C@H]1CCCO1 40405656 RJIKYRXZEMHRSZ-QGZVFWFLSA-N 404.432 4.799 0 1 HJAF CCCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Cl)cc1 40949255 DBJKCQMDCIXXAZ-OAQYLSRUSA-N 402.922 4.814 0 1 HJAF Cc1cc(C)c(N2CCCn3c2nc(C)c3C(=O)N(CC2CC2)CC2CC2)c(C)c1 49054624 PHSBRGLBHUCQBX-UHFFFAOYSA-N 406.574 4.921 0 1 HJAF CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3F)n2)CC1 82152439 BIOFRGLYBOTEIN-ROUUACIJSA-N 410.537 4.637 0 1 HJAF CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccccc1C 103531301 CJAKEMCJXUNAMS-HQMFNGAOSA-N 421.526 4.775 0 1 HJAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(N2CCCCC2)c1 167311922 FSJIJHVMTMAXFG-OAQYLSRUSA-N 408.542 4.948 0 1 HJAF CCOc1cc(CN2CCN(C)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 169303182 JQKSIIOIBXGBHY-UHFFFAOYSA-N 409.357 4.719 0 1 HJAF Cn1c(=O)c(Sc2ccc(F)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 206664755 FJECSOOLAWUZAB-UHFFFAOYSA-N 417.469 4.844 0 1 HJAF COc1ccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 253683655 QFZSCPSGXHGLGJ-CDXJDZJCSA-N 422.352 4.876 0 1 HJAF Cc1nc(C2CC2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 587012047 LWMXSFDZWXHJNT-UHFFFAOYSA-N 416.675 4.525 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)cc(F)c3[nH]2)c1 587050589 YEENQUYZUMHKHR-UHFFFAOYSA-N 420.847 4.804 0 1 HJAF Cc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Cl 587123532 DIYFVZPKBKTDGX-UHFFFAOYSA-N 403.813 4.762 0 1 HJAF COc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587335056 VJOQTAPQZWFCSV-SIKLNZKXSA-N 413.832 4.863 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3c2N(CCC3)C(=O)[C@@H]1CCC 587480597 DIZCQTCPMVEGOM-RXFWQSSRSA-N 419.521 4.915 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1O 587540935 SAAGCTFKODAZRT-YLJYHZDGSA-N 413.223 4.563 0 1 HJAF C[C@@]1(c2nc(C(F)(F)F)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555009 KCPOHAPGBOERQK-RDTXWAMCSA-N 407.369 4.745 0 1 HJAF COc1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587555664 HIPXXZRTIXDPFM-DYESRHJHSA-N 400.789 4.896 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccn1 587568501 DRCVWTDSMAPXGO-DHLKQENFSA-N 413.404 4.832 0 1 HJAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577785 OYPUHWWSCPRJNE-DHLKQENFSA-N 415.445 4.857 0 1 HJAF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12)c1ccccc1C 587630572 LSRMQXNJYSFBOM-UHFFFAOYSA-N 400.837 4.730 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCCCC2=O)(C(F)(F)F)N1 587708240 ABNRZJUVWAZBQM-RDGWCUKFSA-N 408.233 4.639 0 1 HJAF COC[C@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587723808 CIUJMBHOANTKFB-MLCYQJTMSA-N 416.693 4.805 0 1 HJAF Cc1csc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12 587857486 QQRKOVOQMKGENZ-UHLUBPPHSA-N 414.731 4.883 0 1 HJAF CCOC(=O)Nc1ccsc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962717842 WRHOONROFUHGGU-FZKQIMNGSA-N 406.548 4.909 0 1 HJAF Cc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1C 962929857 UYKHNWQSGPEMCQ-ZCYQVOJMSA-N 403.478 4.664 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(-c2cccc(C(=O)O)c2)cc1 963606594 ILCDZNSOWGFDHA-IZHWHUGBSA-N 403.478 4.693 0 1 HJAF 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13582617 ZNDZYFSDFYUJHS-UHFFFAOYSA-N 414.391 4.738 0 1 HJAF O=C(CCCCCN1CCN(c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 13586577 OPNMLXKOFJADTH-RUZDIDTESA-N 405.586 4.563 0 1 HJAF COc1cccc(C2(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)CCCCC2)c1 38147566 IQMREKCROCVQPB-XMMPIXPASA-N 418.581 4.850 0 1 HJAF COc1cccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)c1 40976140 UBNBGXVNHMNBMY-UHFFFAOYSA-N 401.451 4.944 0 1 HJAF Brc1ccsc1-c1nc(NC2CCN(Cc3ccccc3)CC2)no1 45202900 KCORCINSRFBNQC-UHFFFAOYSA-N 419.348 4.637 0 1 HJAF CCC1(CC)C(=O)N(c2ccc(CSc3nnc(-c4ccccc4)o3)cc2)C1=O 45245160 KKSNTSSCIMMZLY-UHFFFAOYSA-N 407.495 4.709 0 1 HJAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC[C@H]1C 58640704 XVUOZRSARADKPL-CVEARBPZSA-N 414.933 4.837 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(F)cc3)n2)o1 82140619 PZSSIRUNYNPKKA-UHFFFAOYSA-N 416.456 4.726 0 1 HJAF CC(C)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1CC[C@H]1CCCN1C 82181348 ASERRSQIHVUXCD-GOSISDBHSA-N 412.969 4.700 0 1 HJAF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cccc(Cl)c1 84706965 ZNCBRIJRDWKHRF-QGZVFWFLSA-N 421.868 4.714 0 1 HJAF COc1ccc(-c2n[nH]c3c2[C@H](C2CCCCC2)N(Cc2cc(C)on2)C3=O)cc1 96177208 OKAAPLDBZGJDAG-QFIPXVFZSA-N 406.486 4.659 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@H]2CC[C@@H](O)CC2)cc1)c1nc2ccccc2[nH]1 144034888 FOZZRFYDGJNYOP-SAABIXHNSA-N 413.477 5.000 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCCC(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 215490253 MMJKXSYYRUPOKG-JVFZSLGPSA-N 402.531 4.685 0 1 HJAF COCO[C@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 253638522 LHSZBYIVFZJSTN-ISBRNDMJSA-N 401.934 4.670 0 1 HJAF COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(F)cc4)n3)c(=O)oc12 261189628 YQKUXABRAMWHKM-UHFFFAOYSA-N 411.414 4.708 0 1 HJAF O=C1c2ccccc2-c2cc(-c3cc4ccc(O)cc4oc3=O)nc3ccc(O)c1c23 586993565 IXCVTHWSRIQLSZ-UHFFFAOYSA-N 407.381 4.631 0 1 HJAF O=C(Nc1nc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cs1)c1cccs1 587019005 CVXGTRCASQTYMD-UHFFFAOYSA-N 408.430 4.943 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587065198 MERAQKWFQIOVJB-UHFFFAOYSA-N 420.852 4.847 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)cc1N 587109773 ULJDGFCSPVCGJI-UHFFFAOYSA-N 412.371 4.778 0 1 HJAF O=C(CSCc1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113427 JUHLZXZAVFQHIO-UHFFFAOYSA-N 418.803 4.641 0 1 HJAF COc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587120127 SOXSWNZDVALCQE-UHFFFAOYSA-N 409.371 4.967 0 1 HJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c(F)c2)c1 587138691 QGUQZHDWKFYDHH-UHFFFAOYSA-N 412.323 4.711 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Cl)ccnc4[nH]3)cc2)cc1F 587147071 DOXYJJJZUMUVHA-UHFFFAOYSA-N 408.864 4.758 0 1 HJAF Cn1cc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc2n1 587341985 LASVHBBIGHHZRO-UPVQGACJSA-N 402.425 4.692 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1cc(C)cc3oc(=O)c(C)c(C)c13)O2 587407359 HJSKLSUNWGDRKO-IVCQMTBJSA-N 421.493 4.800 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)OC)(c1ccc(OC)cc1)CC2=O 587483088 UVJLVIWJLVSGDC-XMMPIXPASA-N 412.482 4.557 0 1 HJAF Cn1c(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557086 QCTSOVHWEBBACG-PXNSSMCTSA-N 403.356 4.627 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1F 587570275 UTYHKJBPGQUSMT-WMZHIEFXSA-N 402.381 4.624 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)s1 587612251 LNKYLOFOBAFLDE-QAPCUYQASA-N 403.253 4.919 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)o2)N1 587680244 IAYBRYCWNQYKGC-GLEZIHRCSA-N 403.089 4.741 0 1 HJAF COc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587692726 LOGNOZIMOMNFIR-LZVRBXCZSA-N 414.702 4.882 0 1 HJAF COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC 587699258 RXOGPXHBBOOXHB-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N)cc12 587746111 LJEAITWPBUJKFT-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587746315 MJMJMSMBYUSIOI-WSVYEEACSA-N 414.322 4.655 0 1 HJAF CC(C)n1ncc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc21 587756461 DSXHRMPZMCSNJK-VOJFVSQTSA-N 403.299 4.537 0 1 HJAF CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756895 SFLQYNXZJFPJKT-HXPMCKFVSA-N 415.347 4.643 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccnc3O)c2)N1 587767269 AGVXFVJHNWNYSK-FKIZINRSSA-N 413.290 4.979 0 1 HJAF COc1ccccc1N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587767685 JTSBTWMFZFMLHI-AWEZNQCLSA-N 419.338 4.627 0 1 HJAF CCN(c1ccc(-c2csc(Cc3ccccc3Cl)n2)cc1)S(C)(=O)=O 587923575 XOJCSFHDZXSCFV-UHFFFAOYSA-N 406.960 4.840 0 1 HJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(I)cc2[nH]1 587928838 CEJLUWRGALLAJI-FZKQIMNGSA-N 404.251 4.621 0 1 HJAF CC(=O)[C@]1(c2ccc(Cl)cc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962963630 WESHBXUXXJMRRF-OAQYLSRUSA-N 423.862 4.843 0 1 HJAF Cc1onc(-c2cccnc2)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)NC(=N)S1 1857539723 VLPSLYZWKLZFLW-JXFKEZNVSA-N 400.454 4.941 0 1 HJAF COc1ccc2c3ccnc(C)c3n(Cc3cn(C/C=C/c4ccccc4)nn3)c2c1 1857584824 VMLFADPISJLECC-RMKNXTFCSA-N 409.493 4.860 0 1 HJAF N=c1[nH]c2ccc(SCc3ccc(C(=O)NCc4ccccc4)cc3)cc2s1 1857604954 SHIMUUKQGMXWNC-UHFFFAOYSA-N 405.548 4.931 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)c1 1857750608 IVAGJAACCFJFLQ-INIZCTEOSA-N 422.520 4.793 0 1 HJAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@H](O)[C@@]1(C)CCC(=O)O1 2356409100 YRNRZLZDGLUALE-XUZZJYLKSA-N 416.514 4.543 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)CN(CC(=O)O)C=C3 2356816118 CXTSGZSYYDXXBX-VFQSNTGXSA-N 415.574 4.783 0 1 HJAF COc1cc(O)c([C@@H](CCN2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c(OC)c1 36378323 OLFSXDXTVMVCID-AVRDEDQJSA-N 412.574 4.729 0 3 HJAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61903759 SKUUTFJZZQPRGI-RUZDIDTESA-N 401.510 4.776 0 3 HJAF c1ccc(COc2cccc(-c3cc4nc(NCCCn5ccnc5)ccn4n3)c2)cc1 61906227 GIAOXVOADCFEEW-UHFFFAOYSA-N 424.508 4.674 0 3 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccc(F)c(F)c3)n2)c1 61907896 HVAIVGPFTQRKKA-LJQANCHMSA-N 402.466 4.652 0 3 HJAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 4051524 WRPNCWWPTPXIGW-LZGLPUDESA-N 418.468 4.804 0 1 HJAF Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)c1 8608032 CYADQWQJFJNKIP-UHFFFAOYSA-N 404.491 4.754 0 1 HJAF CCCSc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528622 RYDCKTDRWUDOFI-UHFFFAOYSA-N 400.521 4.879 0 1 HJAF COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC 13684333 ROYLPDZGPLFQSV-UHFFFAOYSA-N 422.485 4.894 0 1 HJAF COc1cc2ccc(=O)oc2cc1OC[C@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 14693201 UHOOGCXWXYNESM-JBLZDJPZSA-N 412.526 4.950 0 1 HJAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cc3ccccc3s2)c1=O 25426957 WPNOEPJJMFIYCO-WBVHZDCISA-N 416.502 4.583 0 1 HJAF biogenic CCCCCC(=O)SC[C@H](CO[P@](=O)(O)OC)SC(=O)CCCCC 27408673 QCJFVHBQVUUMAR-AWEZNQCLSA-N 414.526 4.799 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 36153160 RYPMTHMHTXUIIA-MNLGXKRNSA-N 400.607 4.545 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H](C(=O)O)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O 39033542 QBUNBRGDEZXPAU-KTXVSENJSA-N 416.558 4.704 0 1 HJAF O=C1COc2ccc(-c3[nH]c(-c4c[nH]c5ncccc45)nc3-c3ccccc3)cc2N1 72119948 OEHSJPGKERAQKS-UHFFFAOYSA-N 407.433 4.618 0 1 HJAF O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82073314 FEOINMZPKHLQND-HXUWFJFHSA-N 412.555 4.928 0 1 HJAF CCc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2nncc-2c1O 103904132 HEHXMKOXHJIMTF-UHFFFAOYSA-N 424.913 4.664 0 1 HJAF CN(C)C12C[C@H](NCN3CCCC3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 169357008 BUPIVROIGNEUGH-UCKOTGOJSA-N 403.614 4.680 0 1 HJAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4N(C=O)Cc4ccccc4)[C@H]3CC[C@@H]12 169366412 PIZOWAHAZOYXFC-ORKPKNOQSA-N 422.613 4.877 0 1 HJAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cscc3Br)cc2)C[C@@H]2CC[C@@H]1N2C 169367406 AKZNIBWGGYEGKL-QGWWYQLQSA-N 420.372 4.917 0 1 HJAF CCOc1ccc(-n2c(O)c3c(c2O)[C@@H](c2ccco2)N(c2ccccc2)O3)cc1 169691364 NGUFDABXNVTVSN-HXUWFJFHSA-N 404.422 4.784 0 1 HJAF COc1ccc(-n2c(O)c3c(c2O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 169693820 PRHTZTFMDRWGTA-FXAWDEMLSA-N 424.884 4.625 0 1 HJAF O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1cccc(C(F)(F)F)c1 216068939 LLIYRBRVILUOTI-UHFFFAOYSA-N 419.305 4.908 0 1 HJAF C[C@H](Nc1ncc(F)c(N2CC(C)(C)OC2=O)n1)c1ccc(C(F)(F)F)cc1F 222600374 ATHFMLLDKFODTP-VIFPVBQESA-N 416.350 4.682 0 1 HJAF CCOC(=O)C(Cl)(Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586992912 GFKXPRYRFBHRBP-UHFFFAOYSA-N 400.261 4.948 0 1 HJAF CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)n1 586999952 GJVHEMCKWPMQFH-UHFFFAOYSA-N 407.621 4.805 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587026687 MCHLOMLPHMHJOI-BKTGTZMESA-N 401.482 4.978 0 1 HJAF COC(=O)c1cc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c(F)c1Nc1ccccc1 587080098 RBVZNEDNTADRRQ-LLVKDONJSA-N 413.840 4.691 0 1 HJAF N=c1[nH]c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc-2c(Cl)[nH]1 587082897 WQXDVVKNQLTINJ-UHFFFAOYSA-N 407.264 4.906 0 1 HJAF COC(=O)c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cn1 587110587 BTEHMYYRLZOIBE-UHFFFAOYSA-N 417.309 4.567 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)nc4ncccn14)[C@@H](C2)C3=O 587435711 INTXWWRGVOVZEH-UUOWRZLLSA-N 411.461 4.510 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(I)c1)CC2=O 587470175 FECFMJCBYVJHLK-IBGZPJMESA-N 422.262 4.830 0 1 HJAF CN1CCN(c2cccc(Cl)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587509722 WJODGAXUCLJVMZ-JOCHJYFZSA-N 410.945 4.677 0 1 HJAF CCCCOc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br 587566353 IJZKYPAHRZTPCG-UHFFFAOYSA-N 417.303 4.938 0 1 HJAF Cc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587612263 JAEPVBFULHRMTJ-OFNKIYASSA-N 424.474 4.792 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1C(F)(F)F 587655339 CJWYRMUCKHDNEC-UHFFFAOYSA-N 403.310 4.745 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC(F)F)cc2)N1 587720794 UTGMDWVJTLFMJF-MLCYQJTMSA-N 400.238 4.987 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OC(F)(F)O3)N1 587721187 PBYOXQMGPZOHOH-XLFHBGCDSA-N 414.221 4.707 0 1 HJAF Cc1cccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587764399 PLMZOKHMWSJCDH-LHSJRXKWSA-N 414.322 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1 587810519 UQLPDCIQAMWVBO-BIBXISHDSA-N 406.295 4.706 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1ccccc1O 587864851 REUFZNWXXPZGDC-UHFFFAOYSA-N 404.388 4.946 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2[nH]c1=S 587869192 BQXFTFOAAOELPT-UHFFFAOYSA-N 403.389 4.567 0 1 HJAF CC[C@]1(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC(=O)c2ccccc2C1 587962268 WQTGJVKWQPACNG-GOSISDBHSA-N 408.811 4.745 0 1 HJAF O=C(/C=C\c1ccc(F)cc1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653719075 IAIKTIPMMDDIKB-DUFUGNAASA-N 412.424 4.635 0 1 HJAF CC(C)(C)Oc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962669865 PLFQHTLTYGPQMF-BWKNWUBXSA-N 404.510 4.600 0 1 HJAF CC[C@@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1Cc1ccc(OC)cc1OC 1857652046 NRDXSNYFWGEXLZ-QGZVFWFLSA-N 421.415 4.813 0 1 HJAF CC(=O)c1ccc(F)c(-c2c[nH]c3ccc(-c4cncc(NCCN(C)C)n4)cc23)c1 1857752152 HQWHAKOOAUIEHY-UHFFFAOYSA-N 417.488 4.607 0 1 HJAF Cc1n[nH]c(-c2ccc(OCC(=O)O)cc2O)c1Oc1ccc(Cl)cc1Cl 754454 YAPAALSYPIKXSU-UHFFFAOYSA-N 409.225 4.653 0 1 HJAF CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1 2724762 XVDGCVQPPPSMBJ-QHCPKHFHSA-N 422.431 4.547 0 1 HJAF C/C(=C\c1ccco1)CN1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 11980524 JXSUXMCTWNWNMF-NIVBKCCZSA-N 419.521 4.864 0 1 HJAF COc1ccc(C2=NN(C/C=C/c3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474099 KKMHBNSEVLDXRU-FFLQPZBESA-N 404.510 4.770 0 1 HJAF CCCCn1nc(C)c(C(C)=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13761008 UHEANRBEYXYNFU-UHFFFAOYSA-N 414.513 4.632 0 1 HJAF COc1cccc(CCN2CCN(c3ccccc3)CC2)c1OCCc1ccccc1 13795779 DWIWEXXTWKPVSB-UHFFFAOYSA-N 416.565 4.681 0 1 HJAF OC[C@H]1O[C@@H](n2c(SCc3ccccc3)cc3cc(Cl)c(Cl)cc32)C[C@@H]1O 26488431 IRLIZYCURHIONA-IPMKNSEASA-N 424.349 4.881 0 1 HJAF Cc1cc(S(N)(=O)=O)c(SCC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 40424056 JFXNPXUBLGSRHG-UHFFFAOYSA-N 424.758 4.578 0 1 HJAF Cc1ccccc1-c1ccc(C[C@H]2NC(=O)c3cc(Cl)ccc3N(C)C2=O)cc1 40563820 GLFCUWHBKACKRK-OAQYLSRUSA-N 404.897 4.633 0 1 HJAF C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1ccccc1 45339035 ONYZBXNUJWRHLM-SFHVURJKSA-N 403.478 4.774 0 1 HJAF Cc1ccccc1[C@H](C(=O)NC1CC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 95577088 KFAHFNRWAVZIQS-HSZRJFAPSA-N 422.525 4.791 0 1 HJAF CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnc6[nH]ccc6c5)c4c3)cc2)CC1 96285235 GOTKZROZHBWZJH-UHFFFAOYSA-N 422.536 4.521 0 1 HJAF O=C(Nc1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100107853 NDHGURROAMTUNH-FGAGNQIYSA-N 413.496 4.968 0 1 HJAF Cc1ccccc1N1CCN(CC[C@H]2CC[C@H](NC(=O)c3cccs3)CC2)CC1 101255581 HPSXIRMSZPEQTB-OYRHEFFESA-N 411.615 4.557 0 1 HJAF Cc1cc(N[C@@H](CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)nc2ccccc12 148718998 AIBSNCWVPJSECP-QFIPXVFZSA-N 419.525 4.947 0 1 HJAF CN1CC=CCCOc2cccc(c2)-c2nc(nc3[nH]cnc23)Nc2cccc(c2)C1 254131841 IADKHXRZAFUCSV-UHFFFAOYSA-N 412.497 4.534 0 1 HJAF Cc1cc(Br)ccc1OCc1nc2c(F)cnc(Br)c2[nH]1 586980607 BMZYADNXCDDAIS-UHFFFAOYSA-N 415.060 4.509 0 1 HJAF Cc1nc(Br)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587012277 VQEZHHJZWJBLQV-UHFFFAOYSA-N 409.053 4.798 0 1 HJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(I)cccc3[nH]2)n1 587079549 JCJPQNYRKKWVRG-QMMMGPOBSA-N 400.651 4.655 0 1 HJAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2oc(N)nc2c1 587331641 DXDPRJUXDDLZNW-YKSBVNFPSA-N 418.424 4.837 0 1 HJAF C[C@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332636 SXNGYCILKWFHOL-UYAOXDASSA-N 420.362 4.564 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)O2 587377110 GZFKQGUCJIZORH-QTCYRWPVSA-N 400.906 4.551 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O 587452820 VFYPVZGASQLKFP-RMUDUWAUSA-N 400.474 4.689 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccccc1C(=O)O)CC2=O 587482153 OYZUHTXWRVNJHF-RUZDIDTESA-N 418.445 4.658 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3CC[C@H]1N3C(=O)OC(C)(C)C)CC2=O 587488591 QHJDWZZYYCSZMO-FOZYCNAUSA-N 401.503 4.611 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583120 QIZZQBDHYVSGDF-WMDMVVLCSA-N 415.489 4.635 0 1 HJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C 587584008 YCUZPKZWYFXWMN-PXDATVDWSA-N 412.445 4.804 0 1 HJAF CCN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587597394 UUCNLMRVUWULNM-WIOPSUGQSA-N 401.462 4.868 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587752185 CQAGJOSUXSSCGM-MEDUHNTESA-N 415.347 4.857 0 1 HJAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1OC 587808894 RDVVWMJGQDSYEZ-BIBXISHDSA-N 408.311 4.712 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812168 IPVNXSKYJFZUNB-GQNMWPQZSA-N 404.323 4.786 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2c(c1)CCO2 587858312 DPDZYKGRSQRHNR-UHFFFAOYSA-N 403.265 4.879 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccc(C)o2)n1 587862586 DEFALLSBAKJHHL-UHFFFAOYSA-N 400.360 4.925 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(C(F)(F)F)n1 587864461 HUTVDKAKLJFLPN-UHFFFAOYSA-N 402.298 4.766 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(F)cc(F)cc2s1 587868315 ZASPQWQNFKSDLD-UHFFFAOYSA-N 412.343 4.850 0 1 HJAF COc1cc(OC)cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962632253 LEWBTXCHUOWJNZ-BKMJKUGQSA-N 400.522 4.540 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c(Cl)ccc(F)c2Cl)N1 962977362 OWLQEIZQSUFZME-MEBBXXQBSA-N 410.606 4.752 0 1 HJAF c1ccc(COc2ccc(-c3nc([C@H]4NCCc5nc6ccccn6c54)co3)cc2)cc1 962983134 AUSCPCYIDHQFBE-XMMPIXPASA-N 422.488 4.803 0 1 HJAF OC[C@H](c1ccccc1)N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 1772616099 STOGBMWLXSWHAE-RRPNLBNLSA-N 400.566 4.539 0 1 HJAF O=C(c1cccnc1NCc1ccncc1)N(Cc1ccccc1)Cc1ccccc1 1772634487 FGAOKWCLORWPAQ-UHFFFAOYSA-N 408.505 4.931 0 1 HJAF CC(C)(C)c1ccc(/C=C2\SC(=O)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1857642268 ZJTOOEFLLYZEOT-OWBBTNHHSA-N 409.507 4.716 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356320220 OIVAJJZZAYFRRZ-TUNNFDKTSA-N 423.532 4.834 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)CC(C)C 2356385408 MECYONIBORKUBT-ZNMLIKKZSA-N 402.531 4.939 0 1 HJAF CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)c1ccncc1 61905492 ZGKACUBRKWXJNE-UHFFFAOYSA-N 420.900 4.801 0 3 HJAF COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 3819759 ZPJLZUVFWGUUTM-UHFFFAOYSA-N 410.489 4.505 0 1 HJAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)CN(C)C 4310489 UAGISAOBKPZBCO-GKCIPKSASA-N 411.949 4.559 0 1 HJAF COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 5070777 ZIIPPEXBKZENGT-QFIPXVFZSA-N 408.542 4.713 0 1 HJAF O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc2[nH]c(-c3ccccc3)nc2c1 34858145 HNPPDUVGJZBJRU-HXUWFJFHSA-N 403.507 4.586 0 1 HJAF COC(=O)c1c(Oc2c(O)cc(C)cc2C=O)ccc([C@H](CC(C)C)OC)c1OC 36444070 TYXLCESJSOTYSR-IBGZPJMESA-N 416.470 4.834 0 1 HJAF biogenic Brc1ccc(CN2CCC([C@]3(c4ccccc4)CCCNC3)CC2)cc1 40974350 LXBCMPSAFKDSSA-HSZRJFAPSA-N 413.403 4.983 0 1 HJAF CCOC(=O)c1ccc(Nc2cc(Nc3ccc(C(=O)OCC)cc3)nc(C)n2)cc1 45226817 VWZHMZWPZSBARV-UHFFFAOYSA-N 420.469 4.626 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C 58666031 CJNYDPBXKCGRGK-AVJYTDLHSA-N 402.623 4.580 0 1 HJAF C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@@H]4C)N(C)C 66112081 KDKFZGZVPVIBCE-XZSYSDQVSA-N 414.678 4.973 0 1 HJAF O=C(c1cc(-c2ccccc2F)[nH]n1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 71318784 CDGLHYPUOWFNMC-QXWFJRNPSA-N 419.500 4.508 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc(C)c1 82146577 PXWLTTSCUPEIAA-KRWDZBQOSA-N 406.505 4.774 0 1 HJAF CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1 82179717 NITHWMOHTKMJNN-LJQANCHMSA-N 411.525 4.703 0 1 HJAF Cc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2C[C@@H]2CCCO2)o1 82185057 PPIRRNPMBRMZDA-KRWDZBQOSA-N 423.904 4.839 0 1 HJAF COc1cc(CC[C@H](C[C@H](CC2CCCCC2)OC(C)=O)OC(C)=O)ccc1O 85629546 REQJTZXHFLPDPI-RTWAWAEBSA-N 406.519 4.557 0 1 HJAF biogenic,in-vitro C=CC1=CO[C@]23C[C@H](OC(C)=O)[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@@H](O)CC[C@]12C 96933540 HEVBJYCZSNXYKU-FUVMXNIJSA-N 400.559 4.771 0 1 HJAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)o1 103291361 JCMNQHIPBDICLF-UHFFFAOYSA-N 416.308 4.919 0 1 HJAF CC(C)OC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 142804875 SHHSHWFFZXJAPS-UHFFFAOYSA-N 409.511 4.884 0 1 HJAF CNC(=O)[C@H](CCCCCCC(=O)Nc1cccc(-c2ccc(Cl)nc2)c1)N=O 169724782 QTHIZXQOFLSDLG-SFHVURJKSA-N 416.909 4.562 0 1 HJAF Clc1ncc(I)c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885526 VOYPHLOKOITXBP-MLQVYSHPSA-N 413.690 4.684 0 1 HJAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587044233 XXOFNFJCFHOBAL-CQSZACIVSA-N 423.325 4.551 0 1 HJAF CC(C)(C)OC(=O)N1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587104227 FJOYDKAFIMUCDQ-UHFFFAOYSA-N 400.478 4.782 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240322 SSRXTZMHECWGJI-BQMFCVJUSA-N 422.529 4.666 0 1 HJAF CCOC(=O)C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348330 NTAAQUUAURJBTC-DQLWACAZSA-N 412.457 4.772 0 1 HJAF O=C1c2ccc(O)cc2O[C@](C(=O)c2ccco2)(c2ccco2)[C@H]1c1ccc(F)cc1 587348518 CVVQYMASWTXXKZ-XUZZJYLKSA-N 418.376 4.855 0 1 HJAF COC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587352417 OHJLPSTTXHUHIW-QPPBQGQZSA-N 406.409 4.592 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)c(C(=O)c4ccccc4)n4ccccc14)[C@@H](C2)C3=O 587435427 FXKKJEWENGHDOL-PPHZAIPVSA-N 423.468 4.976 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccccc1OCOC)CC2=O 587491033 RCSNEALWGIBDFN-VWLOTQADSA-N 419.477 4.631 0 1 HJAF O=C1C[C@@H](c2ccc(O)cc2I)Oc2c1ccc1c2CCCC1 587505430 MAVRELLFZLGGAJ-SFHVURJKSA-N 420.246 4.582 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)cc1Cl 587547421 SLMNLWOFCZXKIS-NZQKXSOJSA-N 418.836 4.934 0 1 HJAF COC(OC)c1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587556251 IWJACISNIDSTOE-KNQAVFIVSA-N 410.397 4.526 0 1 HJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(F)cc2)n1 587573691 WRZQDVGKZCJUIV-GBXCKJPGSA-N 416.408 4.635 0 1 HJAF CC1(C)OCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O1 587614175 BPCXHRIFVBVGFA-SQJMNOBHSA-N 418.445 4.914 0 1 HJAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccs1 587615706 XNSCZIYJAJLCDW-UGKGYDQZSA-N 404.447 4.557 0 1 HJAF Cc1nc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587683817 PEXTVAWUOQVSRY-VPTHRUTESA-N 414.116 4.678 0 1 HJAF Cc1nccn1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754993 NNBSFZFZCAYRPZ-FKIZINRSSA-N 400.295 4.706 0 1 HJAF COc1cccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587765518 CYHGVYXVZALRQF-AWEZNQCLSA-N 419.338 4.627 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)c1 587780520 BVSNQFQTKRMBIT-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587816494 YWRMLYBFOYLLQQ-WSVYEEACSA-N 418.306 4.791 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587828009 NGYYQVLKDWGSJJ-SPLOXXLWSA-N 420.322 4.848 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cccs2)N1 587856640 YGMXPRCKEBBQME-BLVKFPJESA-N 403.320 4.871 0 1 HJAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(c1ccc(C)cc1)N(C)[C@@H](C)C2 962630769 SVIOBBFWBOENQC-OYHNWAKOSA-N 421.459 4.654 0 1 HJAF COCc1cc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)ccc1OC 962697954 IPKNWNNJVLDGSB-MBSDFSHPSA-N 401.547 4.608 0 1 HJAF O[C@H](CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 1772652423 OXMXFLBOVMILOO-KAYWLYCHSA-N 400.566 4.539 0 1 HJAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](C)[C@@]23Cc2c(O)cc(C)c(C=O)c2O3)C1(C)C 2356334300 DBXHPZZOVLNOBW-PIDQREQZSA-N 414.542 4.991 0 1 HJAF COc1ccc(CCC(=O)c2c(O)cc(O)c(CC=Cc3ccc(O)cc3)c2O)cc1 2356399046 LQXPQKJJPFBMGO-UHFFFAOYSA-N 420.461 4.589 0 1 HJAF CC(=CCc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1)CC[C@H](O)C(C)(C)O 2356746097 UKDKIYYRIZKILX-QHCPKHFHSA-N 412.482 4.617 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C]3C=CN(CC(=O)O)C=C3CC[C@H]21 2356812883 YKXZFFKYOZDVNS-VFQSNTGXSA-N 414.566 4.945 0 1 HJAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(Cl)cc2)O3)cc1 61906322 IIIIHPCVQRONHU-QHCPKHFHSA-N 421.884 4.693 0 3 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215807 MGAOUKFKTFGKOJ-ZMVGRULKSA-N 418.578 4.622 0 1 HJAF C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2ccc3c(Cl)cccc3c2)c1 13558171 QFHOEPLZHNWPTL-XNTDXEJSSA-N 422.868 4.619 0 1 HJAF CC(C)CC(C/C=C1/C[C@@](CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C 13683996 BKNVHJDEURXREP-AXADVEHHSA-N 402.531 4.546 0 1 HJAF COc1ccc([C@H]2C=CCN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 13830963 ZFPGBMOEFYDQRT-YADARESESA-N 410.533 4.821 0 1 HJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3C[C@@H]4C(C(C)C)=C[C@@]3(CC[C@@H]21)[C@H]1C(=O)C=CC(=O)[C@H]41 16039909 UOJAWWVICMBLAC-IOSHDBHNSA-N 424.581 4.925 0 1 HJAF biogenic COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1ccco1 35259299 UCLAEBSMAYVLJP-OAHLLOKOSA-N 409.158 4.693 0 1 HJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)CC/C=C/I)N3C)cc1 36271314 WPOWYXAYIRKXTG-VHCQAVBHSA-N 423.338 4.859 0 1 HJAF Cc1noc(-c2cccc(NC(=O)N3CCC(Oc4ccccc4Cl)CC3)c2)n1 40879270 CITLKPZOWCVZNT-UHFFFAOYSA-N 412.877 4.774 0 1 HJAF O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 43011712 QEKKZTBXSULKCC-IBGZPJMESA-N 420.340 4.785 0 1 HJAF in-vivo COc1cc(CNCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 72182011 QEPXQMPOCOTJDO-UHFFFAOYSA-N 422.403 4.676 0 1 HJAF COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N(C)C(C)C)n2)cc1 82066372 STMHJEHQLSOKKS-UHFFFAOYSA-N 413.909 4.783 0 1 HJAF COc1cccc(CNc2nc(NCCC(C)C)c3cc(OC)c(OC)cc3n2)c1 82130580 JGACUJYDHJLXJN-UHFFFAOYSA-N 410.518 4.726 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3)n2)o1 82133178 QWXGLODTOFWWTQ-IRXDYDNUSA-N 404.514 4.775 0 1 HJAF O=C(NCc1ccccc1Cl)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82152456 QQPVLGJBHVZBAZ-UHFFFAOYSA-N 424.907 4.856 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccc(F)cc2)oc1C 82164642 YDXANFHJKOAPII-UHFFFAOYSA-N 424.520 4.940 0 1 HJAF Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1 95565836 XVMJSSHJMLJKPI-UHFFFAOYSA-N 405.395 4.506 0 1 HJAF COc1ccc2[nH]cc(CN3[C@@H]4CC[C@@H]3CC(O)(c3ccc(SC)cc3)C4)c2c1 101185206 KNKGKWINGHKSAD-RTBURBONSA-N 408.567 4.913 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1ccccn1 136844916 PWAJHTVPIOBHLL-SFHVURJKSA-N 420.517 4.642 0 1 HJAF COc1cccc([C@H](Cc2ccccc2OC)N2CCN(C3CCCCC3)CC2)c1 169317927 LADDHHPSFGIBAB-VWLOTQADSA-N 408.586 4.938 0 1 HJAF S=C1N=C2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@H](c2ccccc2Cl)N1 169729973 SNBMRPUEGLCZEG-GTHKJMCUSA-N 402.350 4.667 0 1 HJAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccc(F)cc3)no2)n1 203003156 AJJSLFSNFBJIOF-UHFFFAOYSA-N 405.437 4.535 0 1 HJAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1F)C(=O)O 205342709 BMEHBYNMYNAXOX-UHFFFAOYSA-N 423.366 4.786 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(F)cc(Br)c3[nH]2)cc1 586971455 XPWJQIJGJDHWAN-UHFFFAOYSA-N 422.323 4.687 0 1 HJAF CCCOc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br 587171579 OUYDEZLJQFKFKK-UHFFFAOYSA-N 421.266 4.711 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587239285 IZXUJNWKXZZIMO-UHFFFAOYSA-N 417.307 4.826 0 1 HJAF Cc1ccc2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[nH]c2c1 587344067 FKZOHDKUIYSVDE-XUZZJYLKSA-N 402.425 4.990 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 587347634 LVYUSCYFCPVZOI-AOYPEHQESA-N 417.480 4.785 0 1 HJAF O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2N1 587351903 VRDBWAVAKWMKPS-ISKFKSNPSA-N 403.409 4.518 0 1 HJAF COCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587373999 WFKJCFAOYYXKCW-HXUWFJFHSA-N 404.304 4.627 0 1 HJAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376758 PYZUXRXBUXEWJA-BJWLPLICSA-N 418.873 4.881 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cccc(OC(C)C)c1)CC2=O 587482933 KWMNLVTXXKNRIG-DEOSSOPVSA-N 412.482 4.857 0 1 HJAF C[C@]1(c2ccc(N3CCOCC3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503906 HJTIRQTYOGFVBC-XMMPIXPASA-N 411.929 4.936 0 1 HJAF Cc1cccc([C@H](O)[C@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587516069 ULERQFUQAIZEOM-IZZNHLLZSA-N 414.505 4.567 0 1 HJAF CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 587535550 KSKBJZPPISVITC-ARNLJNQMSA-N 422.521 4.636 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1 587555838 MJQQQKRYNGNNQU-YLJYHZDGSA-N 402.324 4.994 0 1 HJAF Cc1cc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1C 587609540 NHOYBHOMLLZEFA-PXDATVDWSA-N 414.413 4.818 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N)N1 587675948 BWJHLRDJHXLTAH-VPTHRUTESA-N 414.116 4.557 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1O 587692020 JIIAHIKNFSBBMV-BCTVWOGZSA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C(=O)C(F)(F)F)N1 587711939 YPFPUJRCRYPEPY-ZYSBLVPFSA-N 408.233 4.639 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(C=O)c(F)c2F)N1 587717107 FLHCHYNKQGCKHC-ZWBDZOEQSA-N 420.175 4.581 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCN(Cc3ccccc3)C2)N1 587762296 SFAQOPIIYBPGHX-IUSZMWJPSA-N 403.339 4.686 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587770880 RSMMTGDRVMDRLC-WYRIXSBYSA-N 401.279 4.585 0 1 HJAF COCCCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587793975 NQVGEBVLNKAUNK-RNODOKPDSA-N 408.311 4.627 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799684 UFQLJYABYMEDDM-RNODOKPDSA-N 412.343 4.851 0 1 HJAF CCOC(=O)[C@@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800497 YDFWXPOADNHZLV-QKKBWIMNSA-N 420.322 4.546 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)s2)N1 587853458 NGHVQYRVIVERFT-JKYUHCHBSA-N 420.145 4.605 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(N(C)C)cc1 587864620 QBCYQCQTZWCWQJ-UHFFFAOYSA-N 420.460 4.889 0 1 HJAF Oc1ccc(OCCCc2ccccc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945997 RERAHEOCRNSJSR-UHFFFAOYSA-N 403.457 4.714 0 1 HJAF COc1cccc([C@]2(c3ccc(Cl)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963024785 LWHWOHYANRWHNN-LMKMVOKYSA-N 418.924 4.694 0 1 HJAF CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(NC(=O)C3CCCC3)cc2)cc1 1857608656 JGYDZDOMTCFEKX-UHFFFAOYSA-N 401.528 4.881 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@H]4CC=C(C(=O)N1)[C@H]32 2356431560 VQIAIGUFXCMWQU-FSNRIMGISA-N 413.602 4.757 0 1 HJAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc(C(F)(F)F)c1 199717481 MOLQZSCCYQGZRW-GOSISDBHSA-N 424.850 4.670 0 3 HJAF CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 1537520 HWEHUXJJTRFUKM-MCBHFWOFSA-N 423.484 4.764 0 1 HJAF COc1ccc(Cl)cc1-c1cccn([C@@H](CN2CCCC2)c2ccccc2)c1=O 13436667 MKZSODUGUWEYBW-QFIPXVFZSA-N 408.929 4.863 0 1 HJAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2cccc3ccccc23)CC1 26496438 JNYHVVZVSHDECL-SANMLTNESA-N 412.533 4.732 0 1 HJAF CC(C)=CCC/C(C)=C/c1ccc(COC[P@](=O)(O)CP(=O)(O)O)s1 27657190 MPLHMGCEIUGDEN-NTEUORMPSA-N 408.393 4.778 0 1 HJAF CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O 34855152 HWDUAFKFWKQMNB-KRWDZBQOSA-N 414.571 4.713 0 1 HJAF O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1Br 40391227 DFYWFPFWFPTKOH-UHFFFAOYSA-N 406.330 4.698 0 1 HJAF Cc1ccccc1CN1[C@@H](c2ccccc2)COc2c(Cl)cccc2S1(=O)=O 72136648 ZROWBOYMKZKDFY-HXUWFJFHSA-N 413.926 4.973 0 1 HJAF CC(C)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@@H]1CCCO1 82179001 RVJAGTIRASATEH-INIZCTEOSA-N 419.451 4.760 0 1 HJAF C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2C[C@H]1CCCO1)c1ccccc1 82187662 JNHNUSZNNWVMLW-WIYYLYMNSA-N 413.525 4.888 0 1 HJAF CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCc3cccs3)ncnc21 82222808 UYLGZARGITUNRJ-INIZCTEOSA-N 424.599 4.713 0 1 HJAF Cc1cc(C(=O)Cc2cc(Br)cc([C@]3(C)CCSC(N)=N3)c2)c(C)o1 96174303 IUWRTAZOSAXQOS-IBGZPJMESA-N 421.360 4.751 0 1 HJAF Cc1cccc(-c2[nH]c(CNc3ccc(Cl)cc3)nc2-c2ccc3ncnn3c2)n1 113388943 DEZJFFLVFOGZRI-UHFFFAOYSA-N 415.888 4.755 0 1 HJAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)c4ccc(N(C)C)cc4)cc23)c1 116961804 MUTZUFZAIQEATK-UHFFFAOYSA-N 414.509 4.510 0 1 HJAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCCCC2 146831187 IPIZOIXKBNXETI-UHFFFAOYSA-N 417.484 4.711 0 1 HJAF CCCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359645 FZSXHRMZIAUGIF-WKGCPTNWSA-N 402.623 4.772 0 1 HJAF C[C@H](N)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3CC[C@]12C 238769133 FNCLBKRKCPCSJN-OTKPAKDNSA-N 400.651 4.760 0 1 HJAF COC(=O)c1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 299856991 DLDIQLKUMZHCHX-LJQANCHMSA-N 405.281 4.935 0 1 HJAF C[C@@H]1Cn2c(nnc2-c2ccccc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 473106900 ZBWWENBLBXGTGG-GFCCVEGCSA-N 420.822 4.662 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cc(Br)c2[nH]1 587064594 DAXNBSFZYAZGOB-UHFFFAOYSA-N 413.630 4.518 0 1 HJAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)nc12 587142938 HAPIFGIYSXZLJJ-UHFFFAOYSA-N 411.820 4.880 0 1 HJAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3cncc(I)c3)nc2c1 587184935 NGLAYFDZKBUCEO-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF Cc1c(Br)cnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587221889 WMPMPEMGKZIIMZ-GOSISDBHSA-N 421.298 4.548 0 1 HJAF Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587239979 PMVDQQCGBBZPFU-YOKWENHESA-N 403.498 4.565 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(C1CCOCC1)O2 587378222 SSTGWYQZLXGJAS-OAQYLSRUSA-N 416.315 4.627 0 1 HJAF Cc1cccn2c(Br)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 587497240 LYBYJWRUXYWAPB-QGZVFWFLSA-N 411.299 4.991 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc2c1OCOC2 587551739 JDLIMBWHNJETPE-AVRDEDQJSA-N 410.809 4.615 0 1 HJAF Cc1cc(Br)cnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587684193 OTWKKBITJWCZFP-JDNHERCYSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(F)F)OC(C(F)F)=C2)N1 587718395 NUHVHVFKEVJBFF-ZETCQYMHSA-N 410.180 4.646 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587729083 GDDZPRVYSQROFS-WNWIJWBNSA-N 421.241 4.530 0 1 HJAF COc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2 587833237 MMWRSTFROAYDMJ-BFKGZMGPSA-N 406.295 4.544 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cccs2)N1 587852467 LEYYXNXXHCHITP-QGHHPUGFSA-N 406.324 4.674 0 1 HJAF COc1cc(CCc2cc(Nc3ncnc4cccc(Cl)c34)n[nH]2)cc(OC)c1 653850706 VSDVMFVGCGLIFS-UHFFFAOYSA-N 409.877 4.552 0 1 HJAF COc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)ccc1OC(=O)C1CC1 962997984 NOSAWFKVNMSIAY-HSZRJFAPSA-N 420.534 4.615 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCCC(=O)O)c1ccc(Cl)c(F)c1 963607132 JASTWMHAMDVCHA-MCMMXHMISA-N 421.896 4.529 0 1 HJAF CCNC(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccncc2)c1 1772608255 FWQJVNQLJOBPSA-UHFFFAOYSA-N 404.558 4.680 0 1 HJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)O[C@@H](C)[C@@H](C)C2=O 13382715 GDBZTZISXRIMID-RVKKMQEKSA-N 406.478 4.942 0 1 HJAF biogenic O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)C2 13559274 CYBPJTIFGMMOIV-KXZPLDGJSA-N 422.484 4.875 0 1 HJAF CC(C)(C)c1ccc(CCOc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1 13677031 CZBRPGJUMUDUJS-UHFFFAOYSA-N 407.510 4.549 0 1 HJAF C[C@@H]1C[C@@H]2CCC[C@@]34CCC[C@@](C1)(N23)[C@@]1(O)C[C@@H]2CCC(=O)c3ccc(n32)C=C1C4 14923103 GSQRVMWUUVYOJW-HXZSGLDCSA-N 406.570 4.874 0 1 HJAF biogenic Cn1c(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nc2ccccc2c1=O 40873233 DFPSNZGMYXFTMK-IBGZPJMESA-N 404.857 4.536 0 1 HJAF O=C(c1c(Oc2ccccc2)n(-c2ccc(F)cc2)c2ccccc12)N1CCNCC1 64527352 SVVHSMBVQZVBEO-UHFFFAOYSA-N 415.468 4.607 0 1 HJAF CC(C)OCCCNC(=O)CCCNc1nc(-c2ccc(Cl)s2)cs1 82195938 AJLRBNJXYSSJIR-UHFFFAOYSA-N 401.985 4.648 0 1 HJAF COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4/C=C/c3ccccc3)c2c1 84597001 YKJLVMPDHPCPOV-RLPUIJDKSA-N 400.522 4.701 0 1 HJAF Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4cccc(C(=O)O)c4)c(C)c3cc2c1C 95583617 WBFGQSVYUOFFQT-UHFFFAOYSA-N 419.433 4.652 0 1 HJAF c1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1 140535914 ABTLUZBURGFKOA-UHFFFAOYSA-N 424.552 4.523 0 1 HJAF O=C(NC1CCC(F)(F)CC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166824141 FRRULEXTHCDPRS-UHFFFAOYSA-N 417.431 4.681 0 1 HJAF CC(C)(C)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1 169307000 LLYMMAURLFALNH-UHFFFAOYSA-N 405.523 4.764 0 1 HJAF CN(Cc1ccccc1)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1 205446111 XGUYTFZQPPQDRB-UHFFFAOYSA-N 409.449 4.508 0 1 HJAF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 238808967 GRQROVWZGGDYSW-YMDLZZRCSA-N 406.607 4.566 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cccc(C)c3[nH]1)C(=O)OC2 586915253 KDFNGPNGTYBMCL-JYRVWZFOSA-N 406.482 4.686 0 1 HJAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586922862 UDTFOKCWRZPZLO-UHFFFAOYSA-N 402.825 4.620 0 1 HJAF COC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032176 RRCMVOJOPSXEOZ-UHFFFAOYSA-N 402.273 4.576 0 1 HJAF COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587207226 DFZBOBHYGRPCDW-HSZRJFAPSA-N 422.322 4.696 0 1 HJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(I)cc3[nH]2)c1 587242047 NZFJKBCFGBCGMT-UHFFFAOYSA-N 419.266 4.819 0 1 HJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347209 TZIXDVIKDGVNJR-KWLZBDKBSA-N 409.501 4.913 0 1 HJAF Cc1oc(CCC(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351060 HQJDGXOXXRSLPE-UPVQGACJSA-N 424.424 4.724 0 1 HJAF COc1ccc2c(c1OC)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352576 PCFFNSQAGJSCLQ-RDGATRHJSA-N 420.436 4.749 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1Br)O2 587378612 WEEILEVAPWWKND-CQSZACIVSA-N 411.093 4.809 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1Br)[C@@H](C2)C3=O 587414918 YTUHWDJICNUIJY-YVEFUNNKSA-N 424.088 4.709 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cccnc1)[C@@H](C2)C3=O 587421041 ZTLKKBITSKAFFN-PGRDOPGGSA-N 422.278 4.544 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(Br)c(OC)c1)CC2=O 587455812 GMSRXVMDIZZPDN-MRXNPFEDSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1I)CC2=O 587471179 JFYDVSKMLSIPIF-QGZVFWFLSA-N 408.235 4.656 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1c(N)sc3c1CCC3)CC2=O 587494969 MVVAGSMQXRYTOL-DEOSSOPVSA-N 420.534 4.781 0 1 HJAF COC(=O)c1sc2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C 587538111 NOUXMFCUOKCQBP-LJQANCHMSA-N 407.491 4.977 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1cccs1 587614760 UDINXCBQBKNLIG-NFBKMPQASA-N 401.443 4.754 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)no2)N1 587695713 JFHLTRPHNZXMQO-JDNHERCYSA-N 422.685 4.915 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2OC(F)F)N1 587715555 HWCLEFKSJHXWAA-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)N(C)[C@H](C)C2 962629799 PZOVBGTZMGWGJH-LRTDBIEQSA-N 407.432 4.697 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCc3sc(Cl)cc32)N1 962986482 CDSFTXBHVXAIJL-PIGZYNQJSA-N 404.265 4.512 0 1 HJAF COc1cc(Cl)cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963170915 AXWCBWKOEMADPX-BBRMVZONSA-N 420.214 4.709 0 1 HJAF COc1ccc([C@]2(c3ccccc3F)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636106 PAGWSKUDALFAKB-IVCQMTBJSA-N 407.485 4.678 0 1 HJAF C[C@H]1c2ccncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772620518 QGMUDAKKGSLGLA-UXHICEINSA-N 400.526 4.763 0 1 HJAF CCC(=O)Nc1cc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc2cc1OC 1772629429 MWFCPZVRFPHQKV-UHFFFAOYSA-N 413.481 4.716 0 1 HJAF COc1c(C)cnc(Cn2cc(Cc3cccc(C)c3)c3c(Cl)nc(N)nc32)c1C 1772652126 SPRFRSWEPUPIKZ-UHFFFAOYSA-N 421.932 4.635 0 1 HJAF CCCC[C@@H]1[C@H](C(=O)N(C)OC)[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857557985 NRBLDIIVXBCDGF-XUVXKRRUSA-N 404.551 4.606 0 1 HJAF COc1ccc(-c2cnn(-c3ccccc3)c2-c2c(O)cc(OC)cc2OC)cc1 1857643073 DPTZYZNYBGLHCK-UHFFFAOYSA-N 402.450 4.938 0 1 HJAF COC(=O)CCC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCC(C)=CCO)[C@H]1CCC=C2C 2356716252 IDWQXZUVIQTROK-GAGAFAOGSA-N 420.590 4.981 0 1 HJAF CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccccc3F)ccc2O1 13795419 PCAWTWBOWBMXPJ-UHFFFAOYSA-N 406.413 4.659 0 1 HJAF CC(C)(Oc1ccccc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 13887261 PTUXZXRJIRNUSY-WULZDPHUSA-N 411.498 4.781 0 1 HJAF COc1ccc2c(c1)c(CCC(=O)O)c(C)n2Cc1ccc(Br)cc1 27857309 WVVBIGSVJFEXAF-UHFFFAOYSA-N 402.288 4.786 0 1 HJAF C[C@@H](Nc1nccc(-c2nn3c(c2-c2ccc(F)cc2)OCC3)n1)c1ccccc1 28390499 QTEGDORDRUOJFV-OAHLLOKOSA-N 401.445 4.712 0 1 HJAF CC1(CN2C(=O)S[C@H](Cc3ccc(O)c(C(F)(F)F)c3)C2=O)CCCCC1 29052703 RHVDLINHYVUNDA-OAHLLOKOSA-N 401.450 4.988 0 1 HJAF CCCc1c(OCCCSc2ccc(CC(=O)O)cc2)ccc(C(C)=O)c1O 29338643 GRUMSVXBWHMLNV-UHFFFAOYSA-N 402.512 4.736 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](C(=O)O)C(C)(C)C)cn1 38151291 SQODDGQIFANIPN-LJQANCHMSA-N 408.498 4.956 0 1 HJAF O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)cc1)c1ccc(F)cc1 45302724 GJTNYRGTOFWUIX-UHFFFAOYSA-N 421.491 4.929 0 1 HJAF CC(C)(C)n1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 72108101 HHIWSCJIABOTEF-UHFFFAOYSA-N 403.837 4.544 0 1 HJAF Oc1cccc(-c2nc3c(NC4CCCCCC4)ncnc3n2C[C@H]2CCCO2)c1 82187836 WXXGNMKLRLVEPO-LJQANCHMSA-N 407.518 4.513 0 1 HJAF CC(C)(C)c1ccc(O)c([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)c1 96937520 WKHNBRHNWREYOB-DEOSSOPVSA-N 409.432 4.960 0 1 HJAF O=C([C@@H]1CNC[C@]12CCCc1cc(Cl)ccc12)N1CCC(c2ccccc2)CC1 146565581 OSHAQSKTDYUYLA-ZCYQVOJMSA-N 408.973 4.540 0 1 HJAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@@H](O)C[C@H]3CCCCN3)c2c1 169333981 SEULJRPPRODQBH-BMIGLBTASA-N 422.369 4.847 0 1 HJAF CCOC(=O)c1nnn(Cc2cccc(Br)c2)c1-c1ccc(Cl)cc1 299827590 GNWFZHJESCSHBC-UHFFFAOYSA-N 420.694 4.586 0 1 HJAF Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCOCC3)c3ccccc23)c(O)n1 474606081 HFMSKVHOEPULNV-QGZVFWFLSA-N 421.541 4.585 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989919 SMZFZGQZFVTPGN-JOCHJYFZSA-N 409.441 4.847 0 1 HJAF Nc1ccc(-c2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)cc1N 586996175 SLNLLXVYGCVFLA-UHFFFAOYSA-N 422.330 4.811 0 1 HJAF Brc1cnc2c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cnn2c1 587009285 YWLWGCINNSHFRI-UHFFFAOYSA-N 406.243 4.827 0 1 HJAF Cc1nc(COc2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cs1 587020192 GRANFZUMIZSIHQ-UHFFFAOYSA-N 401.289 4.731 0 1 HJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1 587125331 RSFRUVAOJAIOHY-WKEGUHRASA-N 418.192 4.636 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587170527 BXZNWUGJCSWSLS-CQSZACIVSA-N 421.563 4.676 0 1 HJAF O=c1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170666 DQYDELCFUFWFSL-UHFFFAOYSA-N 409.289 4.714 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1O 587337094 UXEGCYLMEKFPHB-FYYLOGMGSA-N 412.388 4.659 0 1 HJAF CCOC(=O)C[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350959 SRXUPEBYNRRWGV-FYYLOGMGSA-N 400.446 4.628 0 1 HJAF C[C@]1(c2scc3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377528 RZFPBVAOWPENAX-GCJKJVERSA-N 412.438 4.638 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(C(=O)O)cc3)cc1)O2 587404776 ZKEQLVKWIHJATL-DEOSSOPVSA-N 403.434 4.948 0 1 HJAF COC(=O)c1ccccc1-c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443918 QSRNRJIGIDLOKE-QFQXNSOFSA-N 414.457 4.812 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(F)F 587557212 QRFPLVXKPSXJJD-NQIIRXRSSA-N 414.360 4.705 0 1 HJAF CCN(/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)CC 587706811 RHLPPZDNZJHDFF-DUOSWKNWSA-N 409.265 4.736 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccn2)N1 587733212 LAQJMYRDVXKLRV-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738411 ABVZWUFANNQNJO-GWQFURPMSA-N 403.339 4.750 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCCC3)ccc2N)N1 587766516 NRFGXUYOPCPAEB-LRTDBIEQSA-N 418.354 4.568 0 1 HJAF COCCCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587798435 XUFHGCKABBSPBO-ZUOKHONESA-N 408.311 4.627 0 1 HJAF CCOc1cc(OC)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587801894 OSTRDEJVRQPCRU-MPBGBICISA-N 408.311 4.793 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc3c(c2)OCO3)N1 587833672 HIEIBEQUTOMUHG-YUNKPMOVSA-N 406.295 4.699 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2cccs2)N1 587849385 UAUUEUFZYMNEDV-VOJFVSQTSA-N 412.324 4.682 0 1 HJAF CC(C)Oc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cc1Cl 621430205 MFOHWCKDIPWFHT-LJQANCHMSA-N 413.901 4.721 0 1 HJAF COC(=O)c1ccc(NC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 653916006 QOAGLRZOWZOTON-UHFFFAOYSA-N 411.361 4.626 0 1 HJAF O=C(O)c1ccc([C@]2(c3cccc(O)c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963105345 MDNWMUTXFAIAQR-BWKNWUBXSA-N 403.453 4.542 0 1 HJAF COc1cc(/C(O)=C2/C(=O)Nc3cc(Cl)c(-c4ccc5c(ccn5C)c4)cc32)on1 1772609162 PWMNTTDPDBOAHL-MRCUWXFGSA-N 421.840 4.874 0 1 HJAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(CN(C)C)c4)cc3)c12 1772620019 WNAYWTJVYWUEIH-UHFFFAOYSA-N 400.486 4.639 0 1 HJAF O=C(OCc1cccc2ccccc12)c1cc2c(OC3CCNCC3)cccc2[nH]1 1857537348 KAJVMELVJPTAGN-UHFFFAOYSA-N 400.478 4.809 0 1 HJAF Cn1c(=O)c2c(c3ccccc31)[C@H]1c3c(O)nc4ccccc4c3OC(C)(C)[C@H]1C=C2 2356438748 QQEGIBWXOKMXRY-UWJYYQICSA-N 410.473 4.738 0 1 HJAF C[C@@H]1c2nc(NC(=O)c3cccs3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356464421 JLZNMYYUCJBSSU-PRAVCRJKSA-N 416.568 4.711 0 1 HJAF COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nc(S)n2)cc1 1620577 MBDJVXAAGWGPGV-UHFFFAOYSA-N 405.401 4.712 0 1 HJAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 4207067 LXHCYXYECRBGOX-UNMCSNQZSA-N 414.933 4.708 0 1 HJAF CC(=O)O[C@@]1(Sc2ccccc2)C[C@@H]2[C@H]3COC(C)(C)O[C@H]3CC[C@@]2(C)CC1=O 5712079 ZNIZFWKJSBADSP-ILCQWTCRSA-N 418.555 4.585 0 1 HJAF C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(CCOc1ccccc1)CC3 7991986 OWKXJEZRKSKXOT-IBGZPJMESA-N 400.522 4.647 0 1 HJAF CCN1C[C@H](CN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)Oc2c(OC)cccc21 13916883 RHLFEBLPGQLRJW-IBGZPJMESA-N 421.516 4.692 0 1 HJAF Cc1ccccc1-c1nc(-c2cccs2)[nH]c1-c1ccc2c(c1)n(C)c(=O)n2C 14958490 LVGPEYZHETXGSJ-UHFFFAOYSA-N 400.507 4.971 0 1 HJAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CO)C[C@@H]21 26282572 LOLVHYOCRQVNRM-CUDHKJQZSA-N 417.590 4.808 0 1 HJAF CCOC(=O)c1sc2nc(Cc3ccccc3)nc(NCc3ccccn3)c2c1C 34858239 ONLCBPGGMZCAAD-UHFFFAOYSA-N 418.522 4.774 0 1 HJAF FC(F)(F)c1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1 64527676 QXGZJRYTZDSDRR-UHFFFAOYSA-N 414.475 4.878 0 1 HJAF CCN(CC)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1 73170030 YBUUWYSQJCKKOC-UHFFFAOYSA-N 404.392 4.854 0 1 HJAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1cccc(Cl)c1 95599404 FGRZONKEXOPKTI-GOSISDBHSA-N 421.349 4.872 0 1 HJAF O=C1NC(=O)[C@@H](N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(Cl)cc2)S1 96921578 DMNJHQHXDDKPBO-CTNGQTDRSA-N 421.909 4.953 0 1 HJAF Cc1ccc(-c2cc(-c3cc4ccccc4oc3=O)n(C(=O)c3ccncc3)n2)cc1 103187744 QQUXFLUAEKCVSG-UHFFFAOYSA-N 407.429 4.715 0 1 HJAF Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCCN(c3cccc(Cl)c3)CC2)o1 103291244 FZTQAYNMOUUGQJ-UHFFFAOYSA-N 413.880 4.795 0 1 HJAF C[C@H](Nc1nc(F)cc(N2C(=O)OCC2(C)C)n1)c1ccc(C(F)(F)F)cc1F 142066207 LMCLCJUMRBLANY-VIFPVBQESA-N 416.350 4.682 0 1 HJAF O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1c1cccc(Br)c1 169304273 BYEUAYLBTVMPAS-LJQANCHMSA-N 405.251 4.769 0 1 HJAF CCNC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1 219983118 RLAISKQYVHVVAQ-UHFFFAOYSA-N 421.478 4.992 0 1 HJAF C[C@H]1CC[C@@H]([C@@H](C)[C@]2(C)C3=CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@]54C)[C@@H]3C[C@@H]2O)NC1 255206762 DMLNDBOUFBIGIL-YDIDKTJNSA-N 413.646 4.841 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 586901781 ZWRNQGQTLPEOQG-UHFFFAOYSA-N 412.243 4.680 0 1 HJAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586913654 RLHAVXXCCOMADQ-LIRRHRJNSA-N 419.934 4.690 0 1 HJAF Clc1cc(Cl)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586969561 MITIAZFFAIRXMQ-UHFFFAOYSA-N 421.265 4.941 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587064783 GSNHZAKTMFYWGK-UHFFFAOYSA-N 408.889 4.791 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1OC 587158461 MPHSRNLYPFYKCN-UHFFFAOYSA-N 404.397 4.644 0 1 HJAF CC(C)Oc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587166736 HTSBLZLFKQBGBE-BQYQJAHWSA-N 418.266 4.904 0 1 HJAF O=C1c2ccc(O)cc2OC(c2cccnc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 587333299 CGMDXACHOMHWCT-HSZRJFAPSA-N 412.420 4.624 0 1 HJAF COC(=O)c1ccc(F)cc1-c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587425319 BOWPVZWIEAQRET-HYBUGGRVSA-N 418.420 4.777 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C(=O)OC)c3)n1)CC2=O 587489154 SLDUNMYOABKTGG-QHCPKHFHSA-N 417.461 4.900 0 1 HJAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)cc(Cl)c21 587496896 CFRYFKGHIFLPOX-NRFANRHFSA-N 402.277 4.709 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552690 BKCFHRWHDQXAEX-GHTZIAJQSA-N 415.367 4.991 0 1 HJAF CCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604706 VKGOVVQWODLGPY-RDGATRHJSA-N 418.445 4.677 0 1 HJAF Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587658117 GTSXCCNZZNNTGM-INIZCTEOSA-N 402.425 4.619 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1 587702632 FDAMKWYMFJKFQJ-PWJLMRLQSA-N 421.207 4.650 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)F)nn(C)c2Cl)N1 587722485 ZBEPUDYZSWHTOH-SREIQFSDSA-N 408.649 4.536 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCN(Cc3ccccc3)C2)N1 587758664 CUSNIIVXMFAMHZ-FXCLAUTBSA-N 417.366 4.860 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCCC3)ccc2N)N1 587763853 AHOMVCIPSYDTEU-ASSNKEHSSA-N 418.354 4.568 0 1 HJAF CCn1c(=O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21 587766580 GLBWTCYISVCQNB-MPBGBICISA-N 415.306 4.547 0 1 HJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587794257 GIYVNVRZPYKOEI-UFAGZECESA-N 412.343 4.707 0 1 HJAF CCOC(=O)C[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798552 OXTJHCJBYDLWPN-QKKBWIMNSA-N 420.322 4.628 0 1 HJAF COc1cccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587808409 NNUCRDYKRMSOOQ-YUNKPMOVSA-N 406.295 4.619 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1ccc(OCc3cccnc3)cc1)N(C)[C@H](C)C2 962636454 SHBPZULKQODCLS-MZNJEOGPSA-N 404.510 4.644 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(F)ccc2N2C[C@H](C)O[C@H](C)C2)N1 962944911 IGKXBDJQNYWUGK-DWJUFWINSA-N 407.533 4.934 0 1 HJAF COC(=O)[C@]1(C)CCc2ccccc2[C@]12c1ccsc1CCN2Cc1cccnc1 963002685 DHFOEZRQYFYRSD-DQEYMECFSA-N 418.562 4.571 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](CCCOc2ccccc2)N1 963169045 GQUBLHCJINUPBL-ZWKOTPCHSA-N 413.823 4.858 0 1 HJAF CC(C)(C)OC(=O)N[C@H](C[C@@H]1NCC(C)(C)c2cc3c(cc21)OCO3)C(C)(C)C 963392002 XEFJRTJQIVINOE-QFBILLFUSA-N 404.551 4.667 0 1 HJAF CC(C)c1ccc(CN2CCC[C@]3(CCN(CC4CCSCC4)C3)C2=O)cc1 1772629263 XUOVSBRDLBOYJP-XMMPIXPASA-N 400.632 4.768 0 1 HJAF CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3=O)O1 1857575670 GAKQCHSAMHXTOB-JBRSBNLGSA-N 408.494 4.900 0 1 HJAF O[C@@H]1CCC[C@@H](Nc2cccc(CNc3cc(Br)cc4[nH]ncc34)c2)C1 1857605059 QQUKXNJUDMMPDM-IAGOWNOFSA-N 415.335 4.653 0 1 HJAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]2C(C)(C)CCC[C@]12C 2356492976 HAZCIIROBOIRCJ-AFIUTERYSA-N 404.591 4.961 0 1 HJAF Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3C)n2)cc1 4920733 CBSOZJLEGRKVLW-UHFFFAOYSA-N 400.276 4.687 0 1 HJAF O=S(=O)(/C=C/c1ccccc1)Cc1ccc(Nc2ncnc3ccccc23)cc1 27759164 KVMMQKNGADZVSP-CCEZHUSRSA-N 401.491 4.959 0 1 HJAF Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(C)(C)C)cc2)o1 28571495 DXPJRFUAXOWMTL-UHFFFAOYSA-N 403.490 4.518 0 1 HJAF COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc(NC(C)=O)cc3)CO2)c(C)c(=O)c1C 34059822 ZTZOKXOFRGHKSG-MEKLVNBKSA-N 409.482 4.715 0 1 HJAF COc1ccc([C@@](C)(OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 40918283 KDMRETSUDYJFOO-ILWGZMRPSA-N 422.491 4.702 0 1 HJAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC1CC1 48999026 RYTQOQMGUDEDKO-UHFFFAOYSA-N 407.514 4.844 0 1 HJAF in-vitro COc1ccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)nc1 73157934 RTNYSNRMZBOTJO-UHFFFAOYSA-N 404.445 4.564 0 1 HJAF CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(SC)cc3)cc2)C(C)=O)n(C)n1 103184186 IAYUNRFRBRLBTI-UHFFFAOYSA-N 423.538 4.686 0 1 HJAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(OC(F)(F)F)cc1 116232299 HUUWVMRTOMEUIK-UHFFFAOYSA-N 405.376 4.738 0 1 HJAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2cccc3c2OCCCO3)nc1 144985409 CLRAWOQASKPOAN-UHFFFAOYSA-N 410.470 4.927 0 1 HJAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1CCc1ccccc1)CC2 169702236 FMEHYPCZICEJJP-UHFFFAOYSA-N 411.509 4.513 0 1 HJAF S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@H](c2ccc(Cl)cc2)N1 169729950 WTDZWVHMLBZQEY-UMYNOAJGSA-N 402.350 4.667 0 1 HJAF O=C(O)COc1ccc(F)c(NCc2cc(F)cc(-c3cccc(F)c3)c2)c1F 218899174 DGARGJBVSGEFJO-UHFFFAOYSA-N 405.347 4.986 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@@H](C)C4)[C@H]3C=C12 504687157 CMTQZHTYEISAFS-LJQBLAKWSA-N 420.597 4.740 0 1 HJAF biogenic COc1cc(/C=C\c2nc3cc(Br)c(C)nc3[nH]2)ccc1Br 586977518 QFODLESTRPLHKL-XQRVVYSFSA-N 423.108 4.970 0 1 HJAF CCCCCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587136330 NTCRAKNOGRPLRJ-UHFFFAOYSA-N 407.287 4.865 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2cncnc2)[C@@H]1c1ccc(F)cc1 587345648 JGDZYFJDDDPVSQ-BKULYWANSA-N 404.441 4.777 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)O2 587402395 ZZXIAOCPHSOQBO-OAQYLSRUSA-N 408.498 4.577 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccccn1)[C@@H](C2)C3=O 587419239 UAXBYYXYBSOWGF-HTAPYJJXSA-N 422.278 4.544 0 1 HJAF CC(C)COc1cccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587566098 UXEQHUWMQZJVIF-UHFFFAOYSA-N 410.699 4.988 0 1 HJAF CC(C)(C)OC(=O)CC12CC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)(C1)C2 587591693 DIXZGNBRKPKGNO-DTAGOMTLSA-N 422.477 4.625 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610572 PUWVNTZOIAJBCA-DHLKQENFSA-N 418.445 4.821 0 1 HJAF Cc1ccc(OC(F)F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587714527 GEAKKYVEUMFRRQ-BJOHPYRUSA-N 401.226 4.517 0 1 HJAF COc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587721720 XDZUGAAGBWBJFT-XYZCENFISA-N 416.237 4.822 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743149 VXRNUSAKSKCHRC-YEJXKQKISA-N 421.354 4.672 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccc3)n2C)N1 587752128 BVILDBTWGYLMDU-BUXKBTBVSA-N 400.295 4.612 0 1 HJAF Cc1ccccc1-n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587762167 DPZCTXODPGGSRT-LHSJRXKWSA-N 414.322 4.880 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccccc2)N1 587763064 HRSFNBBSWVHFPK-FKIZINRSSA-N 400.295 4.612 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCCC3=O)c2)N1 587766474 NJSQLJCDIXKBEW-ZSEKCTLFSA-N 417.322 4.513 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)C2)N1 587769744 PTHBMIACUNEUPW-BTYIYWSLSA-N 403.339 4.614 0 1 HJAF COc1ccc2c(OC)ccc([C@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)c2c1 962558096 AMWJAQXLCUCNLM-BZQUYTCOSA-N 407.510 4.840 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1c(F)ccc(C(F)(F)F)c1F)N(C)[C@@H](C)C2 962642441 UUIIUMGTYBFTRS-APBUJDDRSA-N 401.375 4.967 0 1 HJAF COC[C@]1(c2cccc(C(F)(F)F)c2)c2cccc(Br)c2CCN1C 963290110 TZCGLCIIFYGUII-SFHVURJKSA-N 414.265 4.846 0 1 HJAF C[C@@]1(c2ccc(CCC(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 1772587675 OUDAHHPZBOGICF-RUZDIDTESA-N 405.469 4.875 0 1 HJAF c1ccc(-c2nnc(SCc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)o2)cc1 1857590488 VDZGSXDVZANIQA-UHFFFAOYSA-N 412.478 4.876 0 1 HJAF C[C@H](N)[C@@H]1[C@H](O)C[C@]2(C)C[C@@H]3CC[C@@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3[C@@H](C)[C@H]12 2356568825 PITOHOVPTPHLBW-RYOUYEOISA-N 400.651 4.616 0 1 HJAF CC(C)=CC(=O)O[C@H]1C2=C[C@@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1O 13303341 PHLOJVYZZDCBSH-GXPRYNMSSA-N 404.591 4.795 0 1 HJAF O=C1O[C@H](Cn2ccnc2Cc2ccccc2)CC1(c1ccccc1)c1ccccc1 13651107 WTQYJGYSXRZRBQ-DEOSSOPVSA-N 408.501 4.776 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2cc(N3C[C@H](C)N[C@@H](C)C3)ccc2n2cncc12 13860341 RRMQEBPBEMVAOL-HOTGVXAUSA-N 420.948 4.775 0 1 HJAF Cc1oc(-c2cccs2)nc1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 26579626 ITNSVYIRLQPJAK-BOPFTXTBSA-N 412.492 4.657 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C[C@H]1CN1CCCC1 26579893 OQWXWAMNAANLKP-IBGZPJMESA-N 403.353 4.585 0 1 HJAF C[C@@]1(C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 28826125 BGJFZAXJWZHLTP-GOTSBHOMSA-N 415.455 4.979 0 1 HJAF O=C(NCC1CCOCC1)c1cnc(Nc2cccc(C(F)(F)F)c2)cc1C1CC1 40919067 SKHKSXCAADVULV-UHFFFAOYSA-N 419.447 4.878 0 1 HJAF CC(C)N(C)c1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2[nH]1 40975711 WHHWLYLHRWBOHZ-UHFFFAOYSA-N 403.461 4.861 0 1 HJAF COc1ccc(CNCCCCCCNCCc2ccc(Cl)cc2)cc1OC 45229068 IEZPQYZPPUSAPX-UHFFFAOYSA-N 404.982 4.840 0 1 HJAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3sccc3c2)n1 84705430 VWKJPKAJNPLTDF-UHFFFAOYSA-N 420.563 4.687 0 1 HJAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 95560015 CKZQJESSIQWURR-NRFANRHFSA-N 402.425 4.588 0 1 HJAF CCCc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1 103234535 ASJZBRYZHCCTQR-UHFFFAOYSA-N 406.816 4.904 0 1 HJAF O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 103254453 CUSVWNVJYBQYIM-SGNKCFNYSA-N 413.468 4.537 0 1 HJAF COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC 104070915 RTHWOZAZESTDER-JOCHJYFZSA-N 411.498 4.998 0 1 HJAF Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(N[C@@H](C)c2cc(-c3ccccc3)no2)n1 139798429 RGNIKUNQZYZDCX-AWEZNQCLSA-N 401.474 4.957 0 1 HJAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC[C@@H]3C(F)(F)F)cc2n1 221604771 AOOUGBGXTABIRZ-HXUWFJFHSA-N 417.406 4.667 0 1 HJAF COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(Cl)nc2cc1O 299839290 XODSTIGSDXILKT-UHFFFAOYSA-N 420.856 4.993 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1)c1ccccc1 586921072 BPZRJNCZFOGMRE-UHFFFAOYSA-N 400.862 4.996 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 586972997 LSBZDTNLMZCNNM-OAHLLOKOSA-N 422.323 4.575 0 1 HJAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)cc1F 586988750 PODQGMLPRMFHHW-UHFFFAOYSA-N 416.383 4.611 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)C(F)(F)C1 587131674 BDNXFKJWUCFTFW-SNVBAGLBSA-N 409.330 4.690 0 1 HJAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 587141514 RNDYOJCNNZFQCF-KRWDZBQOSA-N 413.877 4.560 0 1 HJAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)cc(F)c4[nH]3)o2)c1 587157092 FYBHYDMAYRAXJG-UHFFFAOYSA-N 423.192 4.578 0 1 HJAF Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 587251850 PJZYCQZPCZEMGQ-UHFFFAOYSA-N 412.209 4.742 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCOc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O 587416689 CBKXHZDHZSIMPV-HXPMCKFVSA-N 421.674 4.537 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1Cl)CC2=O 587463189 WIEDJXLCHRGFPM-JOCHJYFZSA-N 402.874 4.812 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(C2CCNCC2)N1 587728069 CPFHCCOWJANBKD-LRTDBIEQSA-N 421.329 4.505 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2-n2ccnc2)N1 587732026 MOVGGZGBHITMPQ-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800848 ZYRSYGFMEBOEBZ-CFZJUORYSA-N 400.332 4.707 0 1 HJAF COc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587808314 YGLFTZREIPDWEZ-PRWKNARSSA-N 416.294 4.611 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1O 587857921 BZBPWRITQMKPLO-UHFFFAOYSA-N 407.253 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3nc(Cl)sc3C2)N1 587859130 VVJJFVKDPBTYQR-PWJLMRLQSA-N 401.732 4.617 0 1 HJAF COc1ccccc1-c1ncc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962772059 VFGAEUZGURCOJO-MAUKXSAKSA-N 418.440 4.554 0 1 HJAF CCOC(=O)C[C@]1(Cc2cccc(C)c2)c2ccsc2CCN1Cc1cccnc1 962989765 ALNXTCVPOZOWNY-RUZDIDTESA-N 420.578 4.901 0 1 HJAF COc1ccc2cc([C@H](C)C(=O)OCCOc3ccc4ccc(=O)oc4c3)ccc2c1 1857552284 ZLOPPWKAJCMNLB-INIZCTEOSA-N 418.445 4.681 0 1 HJAF Cc1ccc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)ncnc2c1 1857615787 CFRVHYHQRMOOKF-UHFFFAOYSA-N 415.415 4.857 0 1 HJAF CC=C(C)C(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]2CC[C@H]1C3 2356468888 UIUJNISMUICRML-RWLAFCQLSA-N 404.591 4.631 0 1 HJAF COC1=CC2=C([C@H](C)N(C)[C@H](C)C2)[C@H](OC)[C@@H]1c1c(C)cc2cccc(OC)c2c1O 2356516647 DUKVIMHGBJECIJ-XEKAEWMZSA-N 423.553 4.914 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295371 AVKLDALPEKNUHT-ACRUOGEOSA-N 400.544 4.612 0 1 HJAF COc1cc(C)c(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C 13762156 JVSXXYYJAUHHFM-UHFFFAOYSA-N 424.444 4.587 0 1 HJAF CCc1nc2c(C)cc(C)nn2c1Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1 36175939 SLJYWTLSAGYJBD-QHCPKHFHSA-N 415.493 4.704 0 1 HJAF Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CCSCC2)c(C)c1 49050840 FUAHPNKYVNJRPP-UHFFFAOYSA-N 424.536 4.918 0 1 HJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2cccc(CCN)c2)n1 64528242 AEWPDVCXMSQUFE-UHFFFAOYSA-N 411.937 4.968 0 1 HJAF CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2C[C@@H](C)CC 82186353 UEDIWNPCBFWOTI-INIZCTEOSA-N 409.534 4.928 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 95910848 NEMWYOKGHGSVSC-RJMALNNFSA-N 415.662 4.563 0 1 HJAF biogenic,in-vitro CCC[C@H](NC(=O)[C@@H](N)[C@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1 96167900 PBLZCVAOCGJMDC-UIFIKXQLSA-N 418.474 4.953 0 1 HJAF Nc1cc(N)cc(-c2ccc3c(CC(=O)O)cn(Cc4cccc(Cl)c4)c3c2)c1 103264229 YSMZGQGWJHKIJH-UHFFFAOYSA-N 405.885 4.802 0 1 HJAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 166851256 WQXMHQDZFSMJQA-IBGZPJMESA-N 423.538 4.785 0 1 HJAF Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2 169690535 JJHNWPYOSRAXCV-OALUTQOASA-N 408.552 4.985 0 1 HJAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cccnc3)cc2)C2CC2)CC1 223643417 HSMZBXIPMSMUQS-UHFFFAOYSA-N 421.541 4.753 0 1 HJAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@H]2CC[C@H]1N2C 261134746 LUFCSMMNKWCPJV-YKTARERQSA-N 420.372 4.917 0 1 HJAF C[C@@H]1[C@@H](N(Cc2ccco2)C(=O)Nc2cn(C)c(=O)c3ccccc23)CCC[C@H]1C 299872710 QIODCLMIVCXOSX-JLHGSKIFSA-N 407.514 4.990 0 1 HJAF Cc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1Cl 586968906 DSYSIIWALQBQRP-UHFFFAOYSA-N 400.847 4.596 0 1 HJAF O=C(c1ccccc1)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005171 ALZORRHLWMCGFS-UHFFFAOYSA-N 413.662 4.667 0 1 HJAF Cc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br 587005618 NDIMWILLZNLEKH-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4ccc(Br)c(F)c4[nH]3)c2Cl)c1 587162224 UOOAXDMZWGJPTL-UHFFFAOYSA-N 424.636 4.564 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@@H]32)[C@H]1c1ccc(F)cc1 587372152 HSKCNNLSZZLIDY-JYAXBFRTSA-N 402.512 4.640 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)cc1Cl)O2 587387235 OTEYSFQIWDPHSV-OAHLLOKOSA-N 413.642 4.542 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(C)c(C=O)c3ccccn13)O2 587394274 SMHIRRMVKIRXND-SANMLTNESA-N 410.473 4.860 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O 587427456 HVCDYMUGEKSWQW-MHECFPHRSA-N 414.436 4.946 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3ccc(=O)oc3c1)CC2=O 587482198 CMIXFHAFEITCMI-SHACYNPGSA-N 408.450 4.643 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1cc(F)cc(F)c1 587572603 SQXWTPXEVCXPDF-AUSIDOKSSA-N 420.371 4.763 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CCCCC2)nc1 587589507 XIMSFRPPDHYDRI-NFBKMPQASA-N 402.450 4.933 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)s1 587615062 VGURDAZXNANXAC-RXVVDRJESA-N 408.479 4.542 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1C(=S)NC(c1ccccc1)c1ccccc1 587654497 KDKCRFXQRCQZRC-UHFFFAOYSA-N 405.910 4.562 0 1 HJAF Cc1cc(Br)cnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587684187 OTWKKBITJWCZFP-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccc2C(F)(F)F)N1 587711462 KOEQPNWQZVBHTB-XXFAHNHDSA-N 403.217 4.800 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587738591 BNZYHZWHQHYFPE-LRTDBIEQSA-N 421.354 4.672 0 1 HJAF Cc1ccc(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587762373 YDIKIXLIPKZOKA-RNODOKPDSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)Cc2ccc3c(c2)OCO3)N1 587833356 GELOSBURUCCRIW-FKANQGBASA-N 406.295 4.771 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC2CCOCC2)N1 587833622 GTRBWOCYSOSKSD-YEJXKQKISA-N 420.322 4.770 0 1 HJAF COc1ccc2c(c1)C=C([C@@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)CO2 587836630 WMERLFSUBQYDIK-XUSGNXJCSA-N 418.306 4.822 0 1 HJAF Cc1cc(C)c(C)c([C@@]2(C[C@@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)c1C 962925531 ZHXOCTZMRBPDCX-ODCWNRFASA-N 411.590 4.667 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(C)c1c(C(F)(F)F)nn(C)c1Cl 963279255 FIKMONNDKHFASW-HNNXBMFYSA-N 422.676 4.606 0 1 HJAF COc1cccc(NC(=O)c2csc([C@H](O)c3cccc(C(F)(F)F)c3)n2)c1 1857598952 OQJUNKBWAXDICE-MRXNPFEDSA-N 408.401 4.505 0 1 HJAF COC(=O)CC(=O)OCC=C(C)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356494386 BSFKELIWSIJBDC-RKGYPADOSA-N 408.579 4.813 0 1 HJAF CC(=O)OC[C@]12C(C)=CCC[C@@H]1[C@](C)(C[C@H](OC(C)=O)c1ccoc1)[C@@H](C)C[C@H]2O 2356569290 KSDOXWOAQAJWSO-YEOVSZKKSA-N 418.530 4.587 0 1 HJAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)CC/C=C/I)N3C)cc1 13439765 WPOWYXAYIRKXTG-NVDSVLOESA-N 423.338 4.859 0 1 HJAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](CC)Cc1ccc(C(C)(C)C)cc1 26656547 GVTQVJCNZQGOEE-FUKQBSRTSA-N 404.639 4.574 0 1 HJAF O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1ccco1 28123939 LFHFHOJEJXLGRG-UHFFFAOYSA-N 414.446 4.534 0 1 HJAF COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)C(C)C)cc1 28522192 SINPOXJGZCTVBI-UHFFFAOYSA-N 403.482 4.742 0 1 HJAF CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(F)c1 71317355 KTVQYUJWNKKLCQ-UHFFFAOYSA-N 413.396 4.580 0 1 HJAF CC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3cccc(Br)c23)cc1 72109167 HXWFXXGMKYYPHZ-UHFFFAOYSA-N 407.271 4.839 0 1 HJAF CCN(CC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 82067035 GHYVMJJXFJRXCM-SFHVURJKSA-N 421.545 4.952 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C 82178103 ZHBGHNOAWQLXFP-FPOVZHCZSA-N 420.605 4.725 0 1 HJAF CCCCCc1cn(-c2cc(-n3cc(CCCCC)nn3)c3ccccc3n2)nn1 84635899 QMKODOQRIOWLLQ-UHFFFAOYSA-N 403.534 4.862 0 1 HJAF Cc1cccc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1 96909851 CDAFKPBJIWUHIE-IBGZPJMESA-N 418.566 4.929 0 1 HJAF Cc1ccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C)c1 103291020 HPDGKUIMBAAZIE-UHFFFAOYSA-N 405.683 4.552 0 1 HJAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(Br)c1 104056470 ZSBVCTJMHNZJDD-CYBMUJFWSA-N 418.316 4.881 0 1 HJAF CC(=O)N1CCC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C(C)C)CC1 146438077 GDBWHSKXHUWTMX-UHFFFAOYSA-N 419.451 4.752 0 1 HJAF COC1=C(F)[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169305308 WWWWZFLJGIDVFC-GCKMJXCFSA-N 421.438 4.925 0 1 HJAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@@H](c2ccc(F)cc2)C2CC2)C1 204890784 OIAWVLPLFMESPM-XMMPIXPASA-N 407.464 4.732 0 1 HJAF Cc1nc([C@@H]2C[C@@H]2c2nc3ccccc3n2-c2ccccc2)cc(-n2nc(C)nc2C)n1 223519350 HBKKDUISIABGIW-UXHICEINSA-N 421.508 4.593 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(Cc4ccccn4)C3)cc12 226050740 XFIMUJPGGCCYBQ-MRXNPFEDSA-N 402.473 4.762 0 1 HJAF CCOc1cc(/C=C/c2nc3cc(Cl)cnc3[nH]2)cc(Br)c1OC 586978474 UEISTRIHDMUPGO-SNAWJCMRSA-N 408.683 4.952 0 1 HJAF Cc1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006827 PYEGUIOIQBEGBE-UHFFFAOYSA-N 406.081 4.711 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)c(F)cc3[nH]1)N2 587030630 GUEJDVTXGFWGII-RGEMTFFCSA-N 406.483 4.968 0 1 HJAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(F)(F)F)cc2[nH]1)C(F)(F)F 587093655 XREVZRHGSSFWAK-MRXNPFEDSA-N 403.326 4.745 0 1 HJAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc12 587144979 PMEPGYSHNJXYNL-UHFFFAOYSA-N 404.397 4.829 0 1 HJAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587159771 XREGAVFGTGBHBI-UHFFFAOYSA-N 403.457 4.670 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4cc(Br)cc(F)c4[nH]3)c2Cl)c1 587161439 OBWGEEOQFCMJAI-UHFFFAOYSA-N 424.636 4.564 0 1 HJAF CCOC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166358 RCAXOGIJORVVTO-UHFFFAOYSA-N 420.469 4.846 0 1 HJAF O=C(O)[C@]1(c2ccc(Br)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587206973 APUKTTSAEBINDE-JOCHJYFZSA-N 408.295 4.607 0 1 HJAF COC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587351989 NRVCKKFYBWCZMA-QPPBQGQZSA-N 406.409 4.592 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCCN1CCC(C)CC1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426678 FNHUTTJYLWZTDZ-NVQXNPDNSA-N 423.528 4.989 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4csc(C)n4)c(OC)c1)[C@@H](C2)C3=O 587453222 WHHXBBUQCHBOSE-GAJHUEQPSA-N 423.490 4.536 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccccc3Cl)CC1)CC2=O 587463151 VAEKHRIMKGNKKR-UHFFFAOYSA-N 413.901 4.638 0 1 HJAF O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1O 587529361 ALSLDZFLVDEXII-JOCHJYFZSA-N 404.418 4.936 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccccc1 587579298 DBDGMBIOZYHHHQ-BVAGGSTKSA-N 424.456 4.771 0 1 HJAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br 587614064 QZIFBTWJOQPUBX-CZUORRHYSA-N 418.268 4.623 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncnc(Cl)c2s1 587618163 NJXBYOVLAARRBW-QAPCUYQASA-N 410.838 4.753 0 1 HJAF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1NC(=O)OCc1ccccc1 587625048 YZPJLGZIZBXPNI-UHFFFAOYSA-N 400.862 4.984 0 1 HJAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12 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Cn1cc(-c2cccc(N3CCC([C@H]4c5c(F)cccc5-c5cncn54)CC3)c2)cn1 1857616825 QUDANWQDAHSKPJ-VWLOTQADSA-N 413.500 4.909 0 1 HJAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(-c3ccccc3)ccc1F)NC(=O)N2 1857640793 KORWPRHXGPRYLQ-FQEVSTJZSA-N 408.429 4.743 0 1 HJAF CC(=O)O[C@H](C=C(C)CC[C@H](O)[C@@]1(C)CCC(=O)O1)CC(C)=CCCc1ccoc1 2356417121 RGTRQKDHOCMNQZ-WPFOTENUSA-N 418.530 4.663 0 1 HJAF CC(=CCC[C@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@H]1C)C[C@H]1C=C(C)C(=O)O1 2356546758 QZBUJGPGJAQWIM-RLJZQAMKSA-N 410.466 4.742 0 1 HJAF CO[P@](=O)(CC(=O)OC(C)(C)C)[C@H](CC(C)C)NC(=O)OCc1ccccc1 166486354 KDTIWXOZGQXZID-JYRCXFKTSA-N 413.451 4.551 0 3 HJAF COc1ccc([C@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@H]2C)cc1 1554590 ZBCRNIFALVNVKY-YJBOKZPZSA-N 420.475 4.585 0 1 HJAF in-vivo O=C1NC[C@H](CSc2nc3cc([C@@H]4CCCc5c4[nH]c4ccccc54)ccc3o2)N1 1655156 UDHYNEYETREZIB-CABCVRRESA-N 418.522 4.551 0 1 HJAF CCCC[C@]1(CC)CS(=O)(=O)c2ccc(OC)cc2[C@@H](c2ccccc2)[C@H]1O 1890631 LIUWXFDZLUUPNO-DNVJHFABSA-N 402.556 4.562 0 1 HJAF CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 13611683 MXYXPBVGIKNZEZ-UHFFFAOYSA-N 421.566 4.937 0 1 HJAF CCOC(=O)c1ncc2c(c1COC)c1cc(OCc3ccccc3)ccc1n2C 26010711 SJDAAOZXWNPURD-UHFFFAOYSA-N 404.466 4.629 0 1 HJAF c1ccc2c(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)[nH]nc2c1 36176915 OSHPNNCEUZTANR-UHFFFAOYSA-N 400.530 4.561 0 1 HJAF COc1cccc2c(NCc3ccccc3)nc(NCCCN3CCCC[C@@H]3C)nc12 45226981 WIHUKPNPABUUFY-IBGZPJMESA-N 419.573 4.927 0 1 HJAF CO/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N/C=C/c1ccc(O)cc1 45388500 UINYGMSNNYFSAK-MZZXFIIASA-N 401.462 4.746 0 1 HJAF CC(=O)Nc1ccc(-c2cc(C(=O)O)c3cccc(C(=O)c4ccccc4)c3n2)cc1 64237830 PTVJXASLRCAIHH-UHFFFAOYSA-N 410.429 4.789 0 1 HJAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146482 CEKHETZPGRPAQG-BGYRXZFFSA-N 406.574 4.806 0 1 HJAF CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 96175149 HSRPEDUNBUFIGC-LAUBAEHRSA-N 408.567 4.559 0 1 HJAF CCCc1cccc(-c2cc(NC(=O)C3CCS(=O)CC3)nn2-c2ccccc2)c1 169707231 WKOFXTUEKRPBDR-UHFFFAOYSA-N 421.566 4.589 0 1 HJAF CCN(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253751934 JSVCHYCWIRWLJK-PPDNGMGZSA-N 420.597 4.953 0 1 HJAF COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 473136138 XYYAWEJOUNEPTR-WOJBJXKFSA-N 415.489 4.774 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1 586921431 IBFQQCNVVHVFJM-UHFFFAOYSA-N 418.305 4.906 0 1 HJAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc(F)cc2)C1)-c1ccccc1C4=O 586988956 UGZQZOFFTVJFTA-SFHVURJKSA-N 409.416 4.938 0 1 HJAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1 587219186 NCZXZGFFALUHBI-SFHVURJKSA-N 424.273 4.984 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ncc(C)cc14)[C@@H](C2)C3=O 587432568 QWWHTJFJZOPNMH-KKSFZXQISA-N 420.465 4.625 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cc4)cc1OC)[C@@H](C2)C3=O 587445228 ZVWYWLPIPPYPSC-NBGIEHNGSA-N 400.430 4.672 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)Oc3ccccc3)CC1)CC2=O 587474865 KMPVNLXSWBPCGC-DEOSSOPVSA-N 409.482 4.734 0 1 HJAF CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521377 BZWDQDHOQQVPAG-AREMUKBSSA-N 416.521 4.776 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1cccc(Br)c1 587538250 DRPMSLYSTFAWII-RTBURBONSA-N 411.251 4.728 0 1 HJAF COc1ccc(C[C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556005 UDTUHTBAJOLNIM-DRPSWDKDSA-N 408.425 4.749 0 1 HJAF COc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577822 PEZDBGHIMJKUBD-RDGATRHJSA-N 413.429 4.894 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)n2)N1 587680299 IIXZEXASEAYAIC-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N)N1 587681230 RIRVFJJWRCUELN-VPTHRUTESA-N 414.116 4.557 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587712169 JOPSPZHGWWZGIQ-VPTHRUTESA-N 403.217 4.934 0 1 HJAF Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587752594 SDBOFYYIYMEAHH-WVDJIFEKSA-N 418.310 4.916 0 1 HJAF Cc1ccccc1-n1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757193 GFNQZVCYLUNWPI-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF Cc1cccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587760970 RMCXOQSHSLTPLT-ZUOKHONESA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCCCC2)N1 587766220 MQZHEIWKFVHLAR-BFUOFWGJSA-N 404.327 4.597 0 1 HJAF Cc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587775420 QXLMMQPVANZMDY-RBZFPXEDSA-N 412.306 4.977 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(COCc3ccccc3)C2)N1 587806513 JRVBTMZNCQJKKU-HXJYWVFZSA-N 404.323 4.945 0 1 HJAF Cc1cc(C)nc(SC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587847584 UPUCRPYWVFAFKS-XIKOKIGWSA-N 410.356 4.537 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587852891 NZVHEFAVIHRBHR-DIFFPNOSSA-N 424.383 4.967 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(OC(F)(F)F)cc1 587871381 VKGXTTAHNOUCDK-UHFFFAOYSA-N 424.350 4.706 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@@H](c2coc(-c3ccccc3Cl)n2)N1)C(F)(F)F 962731204 QDSNPWJZMSMCNC-WBVHZDCISA-N 406.791 4.730 0 1 HJAF CCOC(=O)c1ccccc1C[C@]1(C)c2ccsc2CCN1Cc1cccnc1 962997712 SMHSTVVLOKWBFM-XMMPIXPASA-N 406.551 4.836 0 1 HJAF CCOc1cc([C@@H]2NCCc3ccc(O)cc32)c(Br)cc1OC(C)C 963343419 VSAWLTLMAWUVIC-HXUWFJFHSA-N 406.320 4.576 0 1 HJAF O[C@@H](CNCCc1c[nH]c2cc(F)ccc12)Cn1c2ccccc2c2ccccc21 1772623033 TUEQUUOCWBKVBX-IBGZPJMESA-N 401.485 4.608 0 1 HJAF COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCC2)c2ccccc2)cc1 1857575074 UYMRXMYZHDXHRW-UHFFFAOYSA-N 415.555 4.820 0 1 HJAF COc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2 1857640470 UJBSYBZBOYJEQW-UHFFFAOYSA-N 421.522 4.925 0 1 HJAF COc1ccc(NC(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1OC 203475174 HPJZSQWIYXUTQY-UHFFFAOYSA-N 414.893 4.645 0 3 HJAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(C)C)cc2)C(=O)[C@@]31C 2108802 WSXBDEKZOXTDKB-XMMPIXPASA-N 403.482 4.540 0 1 HJAF biogenic O=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 6733249 MOWJCGXXGLULBX-UHFFFAOYSA-N 409.511 4.505 0 1 HJAF CC[C@H](O)c1cc(OCCCC(C)(C)C(=O)O)ccc1OCCCC(C)(C)C(=O)O 25975841 DRISVASVIYBWQE-SFHVURJKSA-N 424.534 4.670 0 1 HJAF O=S(=O)(/C=C/c1ccc(O)cc1)Cc1ccc(Nc2ncnc3ccccc23)cc1 27765249 GCNNMXMUPLTMIB-BUHFOSPRSA-N 417.490 4.665 0 1 HJAF O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1 43120577 YMWWPAIAYIZKTA-UHFFFAOYSA-N 408.586 4.584 0 1 HJAF Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1 71319281 OLXQXKNBBRAAMI-UHFFFAOYSA-N 411.461 4.769 0 1 HJAF COc1ccc(-c2c(Br)cnn(Cc3cccc4ccccc34)c2=O)cc1 73417932 AUNCJXHXIXKKOU-UHFFFAOYSA-N 421.294 4.883 0 1 HJAF OC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)CC1 82163047 KLGPIOGGBVBIOY-UHFFFAOYSA-N 414.534 4.895 0 1 HJAF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)O/C(=C\C[C@H](C)CNC)[C@@]4(CC3)[C@@H]21 85571249 YUCZIRLWTHNMNY-DXSDYDPASA-N 423.553 4.573 0 1 HJAF biogenic,in-vitro C/C=C(\C)C(=O)O[C@@](C)(Cc1ccccc1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 85594693 RLXPNRPEBROQKZ-DUONOKDGSA-N 404.462 4.607 0 1 HJAF biogenic,in-vitro C[C@@H](CNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)c1ccccc1 103584816 LTJJZSIYZSRGAD-INIZCTEOSA-N 402.523 4.735 0 1 HJAF FC(F)(F)[C@H](Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Br)cn1 149920256 HWEROTVBSIYPHR-BLLLJJGKSA-N 400.242 4.637 0 1 HJAF CO[C@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 169291166 RJBJIKXTJIZONR-QOEYQVKJSA-N 424.585 4.683 0 1 HJAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O 196464126 VHVYWBGGSJQQCN-HOOSLVGPSA-N 414.498 4.726 0 1 HJAF O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccccc3Cl)nccc2c1 206101654 ORPJLZFPZYOAET-UHFFFAOYSA-N 401.900 4.813 0 1 HJAF CSc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587001649 USYPHEBJFWXECS-AWEZNQCLSA-N 401.333 4.771 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3ccnc(Br)c3Cl)nc12 587005868 XHUVYOHEGNTVKZ-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Cc1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029383 NLLULLUEFPBCRI-UHFFFAOYSA-N 406.389 4.611 0 1 HJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(I)cccc3[nH]2)n1 587079548 JCJPQNYRKKWVRG-MRVPVSSYSA-N 400.651 4.655 0 1 HJAF Fc1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 587168762 LJXWMEPJRBGIBQ-UHFFFAOYSA-N 400.045 4.806 0 1 HJAF CC(C)[C@@H](c1nc2c(Br)ccnc2[nH]1)N(C)C(=O)OCc1ccccc1 587198326 YPFNWHWGTPJAGX-INIZCTEOSA-N 417.307 4.686 0 1 HJAF O=C(O)c1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354748 RMSWYBULXOJJBL-RCZVLFRGSA-N 418.420 4.820 0 1 HJAF CC(C)(C)OC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520511 DKFGOTRFKPWAAX-JOCHJYFZSA-N 408.494 4.992 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C 587758501 QFWVFDVANVUDCT-LAJNKCICSA-N 414.322 4.921 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2nc(-c3ccccc3)no2)N1 587797740 SEVDMDRNKNPOMW-YUNKPMOVSA-N 416.294 4.630 0 1 HJAF CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587799290 ROXPBRPWVHQBTA-YUNKPMOVSA-N 406.295 4.563 0 1 HJAF CCc1nn2c(-c3ccc(F)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 653779478 UUVUXRRJGOKVFY-UHFFFAOYSA-N 413.474 4.852 0 1 HJAF Cc1ccc(C)c([C@@]2(CCCCCC(=O)O)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963023528 JWIPDIJUKGNBIM-BCHFMIIMSA-N 420.553 4.635 0 1 HJAF Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccc(Cl)c2)C(=O)C3)c1 1857758266 ANYIWHFTTOMQKM-UHFFFAOYSA-N 418.880 4.626 0 1 HJAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCC(C)C)c(OC)c1 777182 HJVAXNAAZCMSRD-UHFFFAOYSA-N 412.461 4.941 0 1 HJAF CCCCCCc1c(C)c2ccc(O)c(CN[C@H](C(=O)O)[C@@H](C)CC)c2oc1=O 16041958 YYECOTLRINGOBL-XOBRGWDASA-N 403.519 4.519 0 1 HJAF biogenic O=C([C@H]1CS[C@H](c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21 26163682 CGDAQHGJRXOMFU-FYYLOGMGSA-N 415.518 4.659 0 1 HJAF CC(=O)NCCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 26248560 VCMTXJPNKTUQMS-LADGPHEKSA-N 413.512 4.581 0 1 HJAF CCn1cc(C(=O)NCCc2ccncc2)c(=S)c2cc(C(F)(F)F)ccc21 26578038 ZQEGNERFZKNQAQ-UHFFFAOYSA-N 405.445 4.777 0 1 HJAF Cn1c2c(c3ccccc31)C(=O)[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2 27741198 QVVCROYVEPNUOF-IBGZPJMESA-N 418.512 4.657 0 1 HJAF Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O 35943643 LMTYPQWFGWYHMH-UHFFFAOYSA-N 423.944 4.650 0 1 HJAF Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C(C)C)[C@]23C(=O)N(C)c2ccccc23)cc1 40939478 RGJKMQUWZRECNS-MUUNZHRXSA-N 424.544 4.712 0 1 HJAF C[C@H](COC(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1 43077592 SLFUXOSCHDPYQS-GOSISDBHSA-N 403.478 4.696 0 1 HJAF COc1cc2nc(NCCCOC(C)C)nc(NCC3CCCCC3)c2cc1OC 82119763 MXBRNZFULUGHQJ-UHFFFAOYSA-N 416.566 4.866 0 1 HJAF CC(C)(C)NC(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 82154225 YXUMIJMWSKIONG-KRWDZBQOSA-N 408.329 4.687 0 1 HJAF COc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C2=NC(=O)CS2)cc1 95580148 FYNBUNKTYJXSPL-QGZVFWFLSA-N 420.321 4.783 0 1 HJAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1 96177676 QRENXRKIRHQWFF-ZBFHGGJFSA-N 423.463 4.538 0 1 HJAF CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cccc(Cl)c2)cn1 144801508 NWKITMVHAGNKIP-UHFFFAOYSA-N 409.877 4.872 0 1 HJAF O=C(Nc1ccc(SC[C@H]2CCCN3CCCC[C@@H]23)nc1)c1ccc(Cl)nc1 504472928 RBFAGBZRJZHXED-AEFFLSMTSA-N 416.978 4.739 0 1 HJAF biogenic O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@H]2CCCC[C@H]21 586960028 MHDWQAWZBOMWHL-XMCHAPAWSA-N 415.946 4.911 0 1 HJAF O=C(Nc1nc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cs1)c1cccc(O)c1 587019074 FPCYUJODFVZQOM-UHFFFAOYSA-N 419.293 4.875 0 1 HJAF Cc1c(Br)ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c12 587112428 VDDGZNADSOEFPW-UHFFFAOYSA-N 412.209 4.583 0 1 HJAF Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Cl 587331907 QDGGYAXFPHUUTD-KNQAVFIVSA-N 414.864 4.816 0 1 HJAF O=C1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2N1 587337920 SJOMMRMVTZWOBB-ISKFKSNPSA-N 421.399 4.657 0 1 HJAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352139 LZFLINYCQVUSSI-HJHWRKHPSA-N 410.441 4.540 0 1 HJAF CCNC(=O)c1cccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587388184 XIRRNBDMXPXZDC-HSZRJFAPSA-N 400.478 4.700 0 1 HJAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ncccn1 587408692 HVAXLYIIJDRCLW-HSZRJFAPSA-N 421.522 4.549 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(F)ccc4C(=O)O)cc1)[C@@H](C2)C3=O 587425498 DKRVRRLEMDMOGI-WMZHIEFXSA-N 404.393 4.688 0 1 HJAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Br)cc4)s3)nc2n1 587564081 NVVQAGBZFGOGDC-UHFFFAOYSA-N 400.257 4.594 0 1 HJAF CCOC(=O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610912 HLWADYJPLAIJJO-REWPJTCUSA-N 424.474 4.654 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(C(F)(F)F)N1 587703862 HJSJBYAOLJBGTC-MGPLVRAMSA-N 403.217 4.518 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(F)cc23)N1 587729080 GDDZPRVYSQROFS-RBHXEPJQSA-N 421.241 4.530 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c(F)cc(F)cc32)N1 587739709 VMRZDNJRUZPBIM-APBUJDDRSA-N 412.249 4.817 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C=O 587771407 SDTPYOXUKAUQTL-YBTHPKLGSA-N 401.279 4.585 0 1 HJAF CC(=O)Oc1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587806895 BLRGSHUIDIHOPT-BLVKFPJESA-N 406.295 4.754 0 1 HJAF CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807922 FJNUHCQWKOVNEO-FKIZINRSSA-N 406.295 4.701 0 1 HJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CC(=O)C1CC1)C1CC1 961747746 HRRNIOPAOKPAGP-VWLOTQADSA-N 410.558 4.812 0 1 HJAF CCCCCc1ccc([C@@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963513204 ZOECWDJGYOMIAP-PGRDOPGGSA-N 421.459 4.838 0 1 HJAF CCn1c2ccccc2c2cc(C(=O)C(=O)Nc3ccc(OC)c(OC)c3)ccc21 1772573150 UXJXZLHVWXFZSM-UHFFFAOYSA-N 402.450 4.653 0 1 HJAF O=C1CCC[C@H](Nc2cccc(CNc3cc(Br)cc4[nH]ncc34)c2)C1 1857595034 GDLIOFPOAGCVRH-INIZCTEOSA-N 413.319 4.861 0 1 HJAF CC(=O)OCC=C(C)C[C@H](O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C 2356461189 XSWLZHVYMDZOHK-ZMNKMHGQSA-N 406.563 4.587 0 1 HJAF CC(C)=CCCC(C)=CCCC(C)=CCCC1=CC[C@H]([C@@H]2CC(=O)NC2=O)O[C@@H]1O 2356531971 DHMXAXCAWHUFET-FBLLAGFSSA-N 415.574 4.882 0 1 HJAF O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)on1 61895940 JDYPXJOALWUTBB-MRXNPFEDSA-N 415.921 4.867 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1N 4080523 KFTFLIVAZGHGKS-GOTSBHOMSA-N 409.530 4.608 0 1 HJAF CC(C)Oc1ccccc1N1CCN(Cc2cccc([C@@H](O)c3ccccc3)c2)CC1 11689521 DXKPKHZYFJOYGC-MHZLTWQESA-N 416.565 4.878 0 1 HJAF CCOc1ccc(-c2oc3cc(OCC)cc(O)c3c(=O)c2OCC)c(OCC)c1 13776551 VLJDEZHQCGNMQN-UHFFFAOYSA-N 414.454 4.760 0 1 HJAF COc1ccc(-[n+]2nc(-c3ccc(-c4ccccc4)cc3)nn2-c2ccccc2)cc1 29131036 VEGQUXGFQLUBMG-UHFFFAOYSA-N 405.481 4.887 0 1 HJAF COC(=O)c1ccc(C)c(-c2nnc3ccc(Sc4ccc(F)cc4F)cn23)c1 34630084 PZFDEJJTIGVKBM-UHFFFAOYSA-N 411.433 4.921 0 1 HJAF Cc1cc(Nc2ccc(I)cc2)c2c(ccc3[nH]cnc32)n1 39214823 IYPNBNGXJWEDNY-UHFFFAOYSA-N 400.223 4.768 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@H](O)c3cccc(C)c3)CC2)cc1 39238993 COBAOKOUJPXTJY-RRPNLBNLSA-N 416.565 4.596 0 1 HJAF COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 64286906 YFWWJPOZWVDALE-UHFFFAOYSA-N 421.537 4.884 0 1 HJAF CCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc(C)c2)n1 82147229 YBXYQTKEIAULIR-UHFFFAOYSA-N 418.541 4.645 0 1 HJAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc2ccccc2[nH]1 96922458 ZZAIDBYWOCHAKU-RXVVDRJESA-N 402.542 4.792 0 1 HJAF Fc1ccccc1-c1nc2cnn(Cc3cc(-c4ccc(Cl)cc4)no3)cc-2n1 103268787 CDILOAOPRNUTPW-UHFFFAOYSA-N 405.820 4.941 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccc(C)cc3)[C@H](O)c3ccccc3)CC2)cc1 169325004 DIJPVVPSPYYUBP-KAYWLYCHSA-N 416.565 4.596 0 1 HJAF O=C1CCC[C@@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 169331509 IYRRWQZJVHAWNG-KAHCWPQKSA-N 408.501 4.702 0 1 HJAF CNc1ncc2cc(-c3ccc(F)c(NC(=O)NCCC(C)(C)C)c3)c(C)nc2n1 206098763 MWMSJCLJVPGLKV-UHFFFAOYSA-N 410.497 4.739 0 1 HJAF O=C(CCCOc1cccc(Br)c1)Nc1ccnc(C(F)(F)F)c1 299862900 KHENHCKASYQMND-UHFFFAOYSA-N 403.198 4.661 0 1 HJAF O=C(NCCN1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1 473134030 BAMKKHHTCLKCOQ-UHFFFAOYSA-N 412.577 4.889 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 586896443 QQBUWQOITFADJA-UHFFFAOYSA-N 417.303 4.773 0 1 HJAF Fc1cnc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587012868 MHRJTPAIOPCEDX-UHFFFAOYSA-N 418.089 4.623 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587167037 FVQUKCUVZHDXCN-INIZCTEOSA-N 416.840 4.511 0 1 HJAF COc1cccc(-c2cc(C3=C(C)N=C4N=CNN4[C@@H]3C)nc3c2oc2ccccc23)c1 587363257 QKQYWOYOYRGUID-OAHLLOKOSA-N 423.476 4.994 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(CC(=O)O)cc3)c1)O2 587407725 KQMMYACXOAZQGZ-RUZDIDTESA-N 401.462 4.752 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)nc4ncccn14)[C@@H](C2)C3=O 587435116 CPFACCONOZLAHJ-UUOWRZLLSA-N 411.461 4.510 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cccc1Br 587540881 RRKKUZQVYDFTIH-FXAWDEMLSA-N 413.223 4.563 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cn1 587567910 FQWRAXJIMDTGDK-WIOPSUGQSA-N 413.404 4.832 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c2[nH]c2ccc(F)cc12 587572569 VZWVDKALUNYYJN-RDPSFJRHSA-N 401.393 4.816 0 1 HJAF COc1ccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587587667 HHBRATJSHYLYEQ-XUZZJYLKSA-N 401.418 4.759 0 1 HJAF CC(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587699620 LDAZUWIQBSFOOX-NSPYISDASA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)n2C)N1 587713812 OBVVCSCFCZFJJB-JDNHERCYSA-N 405.233 4.743 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1 587723791 XWJICWWYBGLIMV-BCTVWOGZSA-N 420.200 4.816 0 1 HJAF CC[C@@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807003 KMEABMPRDHHVCZ-ODXCJYRJSA-N 406.295 4.563 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(C)(C)C)cc1 587867955 SNBNUZGGHJOESB-UHFFFAOYSA-N 403.404 4.959 0 1 HJAF COc1c(Cc2ccccc2)cc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938416 VRENPMHNGYCYRU-UHFFFAOYSA-N 400.434 4.543 0 1 HJAF Brc1cnc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587959353 DFZRQLIYCASNOV-QWRGUYRKSA-N 407.109 4.829 0 1 HJAF COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)NCCc2c1sc(C)c2C 963012298 QABRCVBFVMDUPD-URXFXBBRSA-N 423.534 4.698 0 1 HJAF COc1ccc2c(c1)[C@]1(C(=O)Nc3c(Cl)cccc31)N(Cc1ccc(F)cc1)CC2 963301745 LNHGEDYFQWZNJW-XMMPIXPASA-N 422.887 4.742 0 1 HJAF CCCc1nnc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)o1 1857590061 KXLJLVWGZYLJRN-UHFFFAOYSA-N 415.297 4.923 0 1 HJAF COC(=O)CCCC(=O)Nc1cc(N(C)c2cc(C)nc3ccccc23)ccc1OC 1857632333 BCFTXGUWSDEAFL-UHFFFAOYSA-N 421.497 4.602 0 1 HJAF c1ccc(-c2ccc(-c3n[nH]cc3CN3CCC(N4CCSCC4)CC3)cc2)cc1 15962430 COCZXDNOUPPPNT-UHFFFAOYSA-N 418.610 4.757 0 3 HJAF CN1C2=N[C@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1Cc1ccccc1 203471829 PWDBNIPFQWAUDA-ZEFBGZHFSA-N 407.517 4.914 0 3 HJAF O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1 837305 KLNRNRKDOKSJSW-UHFFFAOYSA-N 414.427 4.802 0 1 HJAF C[C@@H](Oc1cc(-n2cnc3cc(N)ccc32)sc1C(N)=O)c1ccccc1Cl 3939521 PEYXQVLQDBAPGS-LLVKDONJSA-N 412.902 4.562 0 1 HJAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@]21C 4026151 XVJCULXGMUEAHM-NBRVLZGDSA-N 418.574 4.586 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1N 4080422 IRGRZHQWYDUDAS-BJKOFHAPSA-N 423.557 4.998 0 1 HJAF COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4[C@H](C)CCC[C@H]4[C@H]3C2=O)cc1 6001912 JQULSAYEPOTISD-SOMOSNFESA-N 414.505 4.983 0 1 HJAF CCN(CC)C1=NS(=O)(=O)C(SC2CCCCC2)=C1c1ccc(OC)cc1 26288858 HCRGBZIRANYLDE-UHFFFAOYSA-N 408.589 4.513 0 1 HJAF CCC[C@H](Nc1ccnc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1cccnc1 43120108 LANRTSJMPYEFLS-SFHVURJKSA-N 420.517 4.642 0 1 HJAF COc1ccc([C@H]2Oc3cc(OCc4ccccc4)ccc3C[C@H]2OC(C)=O)cc1 45348335 FGLQRTGJVNDZMM-JWQCQUIFSA-N 404.462 4.882 0 1 HJAF COc1ccc2nc(C)cc(-n3cc(CN4CCC(c5ccccc5)CC4)nn3)c2c1 64503812 VMGKXLWDOGYRHZ-UHFFFAOYSA-N 413.525 4.512 0 1 HJAF O[C@H]1CCCN(Cc2cccc(-c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)c2)C1 66251443 AJRONSKIPUPVLN-IBGZPJMESA-N 401.432 4.719 0 1 HJAF CC(=O)Nc1ccc(-c2cnc(N)nc2-c2c[nH]c3ccc(Br)cc23)cc1 72109291 YNNDMPDXHLCLFI-UHFFFAOYSA-N 422.286 4.595 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3)n2)C1 82132630 HIYIGSRLCGHIJO-KDURUIRLSA-N 406.574 4.936 0 1 HJAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1 82178679 WHLNUYUVKJQVGA-UHFFFAOYSA-N 400.530 4.980 0 1 HJAF CC(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cccc(Cl)c1 84706962 ZNCBRIJRDWKHRF-KRWDZBQOSA-N 421.868 4.714 0 1 HJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C2 586888989 ZHCAHSRBEDSSKD-GUBZILKMSA-N 415.209 4.863 0 1 HJAF CCCNc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994515 VWTXATVNUIZNMP-UHFFFAOYSA-N 401.491 5.406 0 1 HJAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(O)nc(O)nc2[nH]1 587018868 QKUAHQCAUMUHDY-UHFFFAOYSA-N 422.297 4.520 0 1 HJAF Cc1cc(Br)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587041720 DQOLXALESLTMII-CQSZACIVSA-N 422.735 4.943 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2c1 587062828 WXJXNKUPICITII-GOSISDBHSA-N 421.950 4.825 0 1 HJAF Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 587140895 ICTFGTMWCMGIRA-UHFFFAOYSA-N 420.448 4.776 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2cn1 587143212 MFOLEGHCVFZZDE-UHFFFAOYSA-N 411.820 4.880 0 1 HJAF COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587349665 IXIONHIYAAAGDZ-UKILVPOCSA-N 422.452 4.909 0 1 HJAF COc1cccc(-c2cc([C@H]3CN(C)CC[C@]3(C)O)nc3c2oc2ccccc23)c1 587362969 KJYDYTNRTXCAQP-NLFFAJNJSA-N 402.494 4.827 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(C)cc4)n1)[C@@H](C2)C3=O 587449168 FQICTGWTVGKXCI-HTAPYJJXSA-N 420.490 4.633 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(F)cc1Br)CC2=O 587468486 XVWHVQWDSRURSH-QGZVFWFLSA-N 409.251 4.961 0 1 HJAF CCCc1c(O)ccc2c1O[C@](/C=C1/SCC(=O)N1C)(c1ccccc1C)CC2=O 587494114 IGXLSFLKPMONMH-LYRGBEMXSA-N 423.534 4.560 0 1 HJAF O=C1C[C@H](c2ccccc2I)Oc2c1ccc1c2CCCC1 587504668 KOAZNIWOFAWWTI-GOSISDBHSA-N 404.247 4.877 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592732 JXNHOKPYIXZVEQ-RCZVLFRGSA-N 418.445 4.593 0 1 HJAF CC(=O)Oc1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587602476 YAGXXVLYBIABCV-HYBUGGRVSA-N 404.418 4.637 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)(c1ccccc1)CC2 587608868 NAKNPXXACXCXKH-BURHJUHKSA-N 402.446 4.554 0 1 HJAF O=C(c1c(-c2ccc(O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F 587621836 LBVCSLFYMOTSPZ-UHFFFAOYSA-N 424.176 4.924 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 587651830 PLSIOISXZLKLAD-UHFFFAOYSA-N 408.845 4.850 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)F)nn(C)c2Cl)N1 587720151 RWOWVCKKHCOVDG-QTTZVWFDSA-N 408.649 4.536 0 1 HJAF Cc1cccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 587760969 RMCXOQSHSLTPLT-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF COc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789791 BNTMVKHZYJIAIV-GIPWTMENSA-N 416.294 4.611 0 1 HJAF COCCCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587798831 ZOFYOSRHJFWXFC-RNODOKPDSA-N 408.311 4.627 0 1 HJAF CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800168 VKQNOMOTXVWLAF-BUXKBTBVSA-N 400.332 4.707 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccn3)s2)N1 587853512 NQTFBSRVAZBRHY-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)Nc1ccc(C)cc1 587865212 XLVPSPDJHFBUFI-UHFFFAOYSA-N 417.387 4.555 0 1 HJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(I)c2[nH]1 587930658 OXCVFCPRUGIHBZ-KZULUSFZSA-N 404.251 4.621 0 1 HJAF Cc1ccc(F)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1Cl 962699969 DYAGOAINYAFJML-CZUORRHYSA-N 405.750 4.634 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)C(=O)OCC)c1ccc(C)c(C)c1 963241669 NHTMOCBQSLDKSV-FQRUVTKNSA-N 407.554 4.726 0 1 HJAF CC(C)c1ccc(/C=C2\CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1 1911572009 JMDPHCWIIZVEIN-CPNJWEJPSA-N 420.532 4.577 0 1 HJAF COc1oc([C@@H]2CC(=CC(C)=Cc3ccc(NC(C)=O)cc3)CO2)c(C)c(=O)c1C 2356752578 ZTZOKXOFRGHKSG-NRFANRHFSA-N 409.482 4.715 0 1 HJAF CC1(C)[C@@H]2CC[C@]34C=C[C@@](C)(C3)C(=O)C[C@H]4[C@]2(C)[C@@H]2[C@H](c3ccccc3)OC(=O)[C@@]21O 2356752631 FUGNURRLVDNLHA-URBAHXGOSA-N 420.549 4.630 0 1 HJAF CCn1ccnc1CN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 11663136 WZJWDOBMVCUFQV-UHFFFAOYSA-N 403.505 4.835 0 3 HJAF O=C(c1ccco1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3955721 IEVGGDJLUWNUIY-SANMLTNESA-N 400.522 4.997 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4Nc5c(cnn5-c5ccc(F)cc5)C[C@]34C)[C@H]1CC[C@@H]2O 6482821 CDGIYWNEIDGTBY-WAVJEVTHSA-N 409.549 4.952 0 1 HJAF 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CCOC(=O)C[C@H]1CCC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963830509 BMAMTGJNHHPJDV-BCHFMIIMSA-N 418.537 4.841 0 1 HJAF CC[C@H](C)C(=O)c1ccc(OCC(=O)NCCc2ccc(O)cc2)c(Cl)c1Cl 1772612830 BSUQYFCXKDIHOO-ZDUSSCGKSA-N 424.324 4.666 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H]3C(=O)C[C@@H](C)[C@H]2[C@H]3C(C)(C)[C@H]1OC(=O)C(C)=CC 2356384852 CVMAUJSKSKXOQX-MFMJDWSBSA-N 416.558 4.650 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1OC(=O)C(C)=CC 2356461914 YZUPVNWKUPXHAT-URLDNKFUSA-N 400.515 4.859 0 1 HJAF CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 2500050 GFBZJGYKLAABDL-UHFFFAOYSA-N 416.550 4.778 0 1 HJAF c1cc(COc2cccc(-c3nnn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1 3790819 KOXHPVHOZNZZSJ-UHFFFAOYSA-N 409.449 4.573 0 1 HJAF COc1ccc(N2C(=O)[C@H](CC[C@H](O)c3ccccc3)[C@H]2c2ccc(O)cc2)cc1 3810859 BAONTUOMPWRXJL-TZRRMPRUSA-N 403.478 4.619 0 1 HJAF C[C@H]1C[C@@H](NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1 4575086 PPVGAUHXBGNDKD-GLUANWCPSA-N 406.832 4.841 0 1 HJAF CC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 4872285 OEXLCNXFRAGYBA-WQXYNRKZSA-N 423.601 4.716 0 1 HJAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CC[C@H]2c2ccccc2)cc1 12355186 NUXNHYJNSHRNAN-AOMKIAJQSA-N 414.509 4.897 0 1 HJAF CC(C)c1csc(/C=C/c2cccc(NC(=O)[C@H](O)c3ccccc3C(=O)O)c2)n1 27420836 QCVVRVSQBSTARO-RQWLHQTBSA-N 422.506 4.807 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801259 GZGRNURZGJTHEM-MNLGXKRNSA-N 402.623 4.725 0 1 HJAF CCC(CC)N(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189580 IPRXHMGTIKEHQX-JVSPOQEVSA-N 402.623 4.865 0 1 HJAF CCCCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21 40860229 QJXQJSUNTAEXCE-UHFFFAOYSA-N 406.457 4.690 0 1 HJAF C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 40939394 GEWFNPFCLSCLBQ-DNVCBOLYSA-N 407.341 4.542 0 1 HJAF O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)nc1 40977303 OEKIQSIIDRYSEZ-UHFFFAOYSA-N 414.746 4.514 0 1 HJAF CCOc1cc2c(cc1OCC)-c1cc3ccc(OCC)c(OCC)c3c[n+]1CC2 59587089 VAOSTWNRSPNXGE-UHFFFAOYSA-N 408.518 4.945 0 1 HJAF biogenic,in-vitro O=C(N[C@@H]1c2ccccc2-c2c(-c3nc4cnccc4[nH]3)cccc21)c1ccncc1 72318452 NEEVLWIWDHBTEB-HSZRJFAPSA-N 403.445 4.520 0 1 HJAF in-vitro O=C(N[C@H]1c2ccccc2-c2c(-c3nc4cnccc4[nH]3)cccc21)c1ccncc1 72318453 NEEVLWIWDHBTEB-QHCPKHFHSA-N 403.445 4.520 0 1 HJAF CC(C)Oc1cc(O)cc2oc(-c3ccc(O)c(Cc4ccccc4)c3)c(O)c(=O)c12 85569475 ZPPARCIQTQYNBW-UHFFFAOYSA-N 418.445 4.955 0 1 HJAF biogenic,in-vitro O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccccn2)CC1 96285768 QJHWVJDXNTXDEC-UHFFFAOYSA-N 405.473 4.655 0 1 HJAF COc1ccc(OC)c(/C=C2\CCC[C@H]3C2=NN[C@@H]3c2cc(OC)ccc2OC)c1 103191819 LBYLUJZFUBILFH-HNJDBELASA-N 408.498 4.605 0 1 HJAF CC(C)n1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1 205650843 ONFLRFHTUSMPPD-UHFFFAOYSA-N 423.908 4.501 0 1 HJAF COc1nn2cc(-c3cc4c(O)c(Cc5ccccc5)c(OC)cc4o3)nc2s1 205926607 CEAGVFOQUHFOKS-UHFFFAOYSA-N 407.451 4.518 0 1 HJAF O=C(Nc1ccccc1)Nc1ccc([C@H]2CN=C3c4ccccc4NC(=O)N3C2)cc1 206955153 ZRFLNCPKVPMFER-KRWDZBQOSA-N 411.465 4.722 0 1 HJAF C[C@@H]1C[C@@H]2CCC[C@@]34CCC[C@@](C1)(N23)[C@]1(O)C[C@@H]2CCC(=O)c3ccc(n32)C=C1C4 238741137 GSQRVMWUUVYOJW-CRMYPXLASA-N 406.570 4.874 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(F)cc3[nH]1)C(=O)OC2 586914779 BXTOLCQVJPLODE-QCDXTXTGSA-N 410.445 4.517 0 1 HJAF NC(=O)c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586997458 DHCMMQJHULWMNP-UHFFFAOYSA-N 422.282 4.670 0 1 HJAF Fc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)nc1Br 587156192 YSAQUFNCMHNYBZ-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCC(O)CC1 587237773 WRIFCFDVHSHSTP-UHFFFAOYSA-N 400.306 4.525 0 1 HJAF C[C@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336598 UIKWBONSKQDPMS-NFBKMPQASA-N 410.372 4.643 0 1 HJAF COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587345277 INFIXYIBGZDFMJ-HYBUGGRVSA-N 423.440 4.537 0 1 HJAF CC[C@@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348907 HSDJMMWNYUOBED-VWNXMTODSA-N 408.425 4.910 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)nc1Nc1ccccc1)CC2=O 587492200 NOHSNXMMTGQQOP-FQEVSTJZSA-N 421.522 5.307 0 1 HJAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCCN(C)C 587508690 WTRQJQAVBIZSGA-HSZRJFAPSA-N 409.526 4.611 0 1 HJAF O=C1C[C@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)Oc2c1ccc1c2CCCC1 587512256 MUUSNQVUNFHVSF-DHIUTWEWSA-N 401.462 4.747 0 1 HJAF O=C(Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NC1CC1 587516717 UUHLVVDFBLRUJS-XMMPIXPASA-N 414.505 4.505 0 1 HJAF Cc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1C(F)(F)F 587553091 DRYCKOAZRBUPAB-BBRMVZONSA-N 407.369 4.879 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c(F)c(F)c(F)c1F 587553616 FWDDOIORFCCCLM-YUNKPMOVSA-N 408.278 4.791 0 1 HJAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577788 OYPUHWWSCPRJNE-RDGATRHJSA-N 415.445 4.857 0 1 HJAF COc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C)c2c1 587578041 PUIKDKGHMSGCFK-XUZZJYLKSA-N 401.418 4.595 0 1 HJAF CCc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1 587652162 MGQSMKPLOIIETG-UHFFFAOYSA-N 418.880 4.880 0 1 HJAF COc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587713981 DOJBMKJYUWKROX-XLFHBGCDSA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccccc2F)N1 587727291 NKKUBEIAWYPAJB-OVWNDWIMSA-N 404.258 4.741 0 1 HJAF COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C 587754882 FILUYFUNXPSYRJ-GIPWTMENSA-N 403.295 4.712 0 1 HJAF Oc1nncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 587783529 BZLOLWQXEAETCQ-UHFFFAOYSA-N 408.461 4.895 0 1 HJAF Cc1nc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)no1 587798855 WWIYDTATUWQCOF-MGNBDDOMSA-N 402.267 4.570 0 1 HJAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587808436 QASDEPLBGBZKHX-ZMZPIMSZSA-N 424.310 4.546 0 1 HJAF Nc1nccn2c(-c3cccc(NC(=O)Nc4cccc(Cl)c4Cl)c3)cnc12 653687462 OFYIYWTYQMZEDK-UHFFFAOYSA-N 413.268 4.929 0 1 HJAF CC(=O)c1ccc2c(c1)C1(CCC3(CC3)CC1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962628784 HOVAIIVTUVCNLP-IBGZPJMESA-N 413.514 4.685 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1ccccc1OCc1c(C)noc1C)N(C)[C@H](C)C2 962642097 YKMSIHBFIAYUCJ-MYYSRTQBSA-N 422.525 4.853 0 1 HJAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(-c3cncc(C)c3)c2)c2ccccc21 1857631964 GLKUMUZRAVNPFR-UHFFFAOYSA-N 413.433 4.622 0 1 HJAF COc1cc([C@H]2CC(=O)Oc3cc(C)c(Br)c(C)c32)cc(OC)c1OC 13814841 XVNBUQCNUJEVTB-CYBMUJFWSA-N 421.287 4.533 0 3 HJAF CON(C)C(=O)CC1(CN(Cc2ccccc2)C(=O)OC(C)(C)C)CCCCC1 61948194 HJRULSSEVKDDTE-UHFFFAOYSA-N 404.551 4.784 0 3 HJAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cccnc3)cc2)c1C 838988 DUTMOISDZUUDON-UHFFFAOYSA-N 405.479 4.821 0 1 HJAF CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 2469335 WKZMZTZKLRPCBR-GOTSBHOMSA-N 403.526 4.727 0 1 HJAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H](c1ccccc1)C(F)(F)F)N1CCCC1 13756438 DDKFVJXTUSAVAA-MUGJNUQGSA-N 422.491 4.505 0 1 HJAF OC[C@H]1O[C@@H](n2c(Cl)c(-c3ccsc3)c3cc(Cl)c(Cl)cc32)C[C@@H]1O 28458022 ILJSJGNIQMTFOY-RRFJBIMHSA-N 418.729 4.971 0 1 HJAF Cc1ccc(-c2nc(CCC(=O)c3ccc(/C=C4\SC(=O)NC4=O)cc3)co2)cc1 29549950 HWGSSZFOJNXNKP-NDENLUEZSA-N 418.474 4.789 0 1 HJAF COc1cc(OC)c(-c2coc3c4c(cc(OC)c3c2=O)OC(C)(C)C=C4)cc1OC 34215502 KCWROAWUNRUNRU-UHFFFAOYSA-N 424.449 4.679 0 1 HJAF biogenic CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801260 GZGRNURZGJTHEM-LYZOWHQXSA-N 402.623 4.725 0 1 HJAF CC(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl 34891864 TXKKRFMQAMLXOL-KRWDZBQOSA-N 421.868 4.714 0 1 HJAF COc1ccccc1N1CCN(Cc2cn3cc(C)cc(-c4ccccc4)c3n2)CC1 36216609 LNEZIIGVFFLLQU-UHFFFAOYSA-N 412.537 4.641 0 1 HJAF CC(C)(C)c1cc(C(=O)N2CCC(c3ccccn3)CC2)n(Cc2ccccc2)n1 45188939 AZLNOZIFKCTERN-UHFFFAOYSA-N 402.542 4.644 0 1 HJAF Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49089159 JRJCLWHPZORVGD-UHFFFAOYSA-N 404.489 4.940 0 1 HJAF OC1=NC[C@H]2[C@@H](C=NN2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)S1 49089813 XJVLXUUXKGHKOC-FGTMMUONSA-N 416.344 4.637 0 1 HJAF Cc1ccc2[nH]cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(=O)O)c2c1 62241507 WGSQKPIUJIOGOT-QFIPXVFZSA-N 414.461 4.694 0 1 HJAF CCCC[C@@H](CC)CNc1nc(NC[C@@H]2CCCO2)c2cc(OC)c(OC)cc2n1 82125046 PBKCJLOIPWOECE-SJORKVTESA-N 416.566 4.866 0 1 HJAF Fc1ccccc1CCNc1ncnc2c1nc(-c1ccsc1)n2C[C@H]1CCCO1 82180769 AWGNKVXFKPDADQ-QGZVFWFLSA-N 423.517 4.528 0 1 HJAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2CCCCC2)cc1 95588421 OQTLHJPBUMXZHC-CDITWBNYSA-N 407.510 4.909 0 1 HJAF CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 95591814 BKAYOILNIKLHMI-RBUKOAKNSA-N 405.325 4.807 0 1 HJAF CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 95593478 RDDQQKHXDCUMRC-UHFFFAOYSA-N 421.522 4.935 0 1 HJAF O=C(c1ccco1)N(C(=O)c1ccco1)c1ccc(F)c(-c2nc3ncccc3o2)c1 103259390 PUAJPOMSKRFRGP-UHFFFAOYSA-N 417.352 4.702 0 1 HJAF CC(C)C[C@H](Nc1cc2ccccc2cn1)c1ccc(C(=O)NCCC(=O)O)cc1 148710240 ADHGPQCYNVTUDC-NRFANRHFSA-N 405.498 4.639 0 1 HJAF Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)=C2 169307776 KIZQJQNMZJSTCZ-IYBDPMFKSA-N 407.514 4.827 0 1 HJAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)c(Br)cc3ccccc23)cc1 169311772 FXIZBOBCWUBDHM-UHFFFAOYSA-N 409.283 4.891 0 1 HJAF Clc1ccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)cc1 199099389 LEZMWZDACLUMLL-UHFFFAOYSA-N 414.296 4.824 0 1 HJAF Clc1ccc(NCc2ccncc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220123761 PIWVVOCVVNZKEV-UHFFFAOYSA-N 418.932 4.752 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3ccc(Br)c(OC)c3)nc2c1 586978083 WNPWVAJFCZNGCN-XQRVVYSFSA-N 421.678 4.944 0 1 HJAF Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075859 NPYDMDLRMFJVFK-UHFFFAOYSA-N 403.667 4.846 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccnc(OC)c4[nH]3)c(Cl)cc12 587077824 AJXJFHFMILHDRD-LLVKDONJSA-N 413.861 4.819 0 1 HJAF CC(=O)[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1C(=O)O 587207977 ZNXXGGKDMVYMOH-QHCPKHFHSA-N 407.425 4.865 0 1 HJAF CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333327 CPNSAVNSLQGVKQ-LUBWVBMUSA-N 409.501 4.769 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)O2 587399368 INZIXGMDFYRGNX-AREMUKBSSA-N 415.489 4.946 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)O2 587401648 VEQHCFOMKNQTNQ-HXUWFJFHSA-N 408.498 4.971 0 1 HJAF COc1cc2c3c(c1)OC1(CCC4(CCCN4C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587444451 PXKSJSIBCIWKMM-XWFFHEKESA-N 413.514 4.525 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(CC(=O)O)cc4)c1)[C@@H](C2)C3=O 587453325 YMGJZJKSQUYMSV-LVXARBLLSA-N 414.457 4.652 0 1 HJAF O=C1C[C@H](c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)Oc2c1ccc1c2CCCC1 587530788 DWUHTWSHFSAEBB-JOCHJYFZSA-N 424.474 4.779 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1N1CCCC1 587556259 JBRUARQIILGMEN-QPPBQGQZSA-N 405.425 4.834 0 1 HJAF C[C@]1(c2cc(F)ccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570026 JYCIYXWEHNWJEZ-ZJSXRUAMSA-N 416.408 4.594 0 1 HJAF Cc1ccccc1-n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587583263 VENBODQXEJMOLJ-WIOPSUGQSA-N 412.445 4.763 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccnc2)s1 587616044 YSPPKFRQENEHMD-GHTZIAJQSA-N 402.431 4.614 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587711646 XQPLMCYBNUMQDE-BMLIUANNSA-N 416.212 4.741 0 1 HJAF CCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587715644 CGPAMUIKXUJAFE-RFAUZJTJSA-N 420.248 4.837 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F 587717979 MVAXGNJCQDFLDK-XLFHBGCDSA-N 416.237 4.822 0 1 HJAF C[C@@H](C[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587726710 KNDBVTSEHWWCJX-XXRNEEKGSA-N 424.285 4.616 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1 587733749 SIRIHAMAAFRHBS-BIBXISHDSA-N 407.302 4.950 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1 587733755 SIRIHAMAAFRHBS-PRWKNARSSA-N 407.302 4.950 0 1 HJAF Cc1cc(C)c2c(N)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc2n1 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IGQBYKSXUKLRFL-UHFFFAOYSA-N 414.527 4.690 0 1 HJAF O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1 4238934 VYFYPBDADXRBLN-UHFFFAOYSA-N 418.503 4.817 0 1 HJAF aggregator CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 6492422 CGHLTFHKPDGLMA-QFIPXVFZSA-N 402.450 4.862 0 1 HJAF CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 13673888 LGOMWSIGEIXWPD-UHFFFAOYSA-N 405.498 4.509 0 1 HJAF Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2[nH]1 13859506 KMDRWXNIHZDMQA-UHFFFAOYSA-N 408.303 4.945 0 1 HJAF O=C(NCc1ccccc1)[C@@H]1CCC[C@H]1[C@H](O)CCc1ccc(OC(F)(F)F)cc1 28571622 LITSAXUKHSGXCN-NJDAHSKKSA-N 421.459 4.611 0 1 HJAF O=C(c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1)N1CCCCC1 28826393 ZCMKIWCTOBBNBE-UHFFFAOYSA-N 415.537 4.832 0 1 HJAF in-vitro CC(C)(Oc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O 40423582 NPVZXFMOPRESBK-UHFFFAOYSA-N 415.917 4.750 0 1 HJAF CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2cccc(C)c2n1 45255211 SOZJMQJCCKPSJW-UHFFFAOYSA-N 415.472 4.983 0 1 HJAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCC2)c1 45366295 JVMRSZDCEJMQEL-UHFFFAOYSA-N 414.465 4.501 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@@H]4[C@H]3CN2C1 70454566 MWBJDDYEYGDWCZ-ONJWLFNLSA-N 413.646 4.771 0 1 HJAF biogenic,in-vitro COc1c(OCc2ccccc2)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72116881 CNEITGDRTCOSGQ-FQEVSTJZSA-N 415.489 4.755 0 1 HJAF CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 82177655 IAIZYCUBXJJUCK-QFIPXVFZSA-N 410.533 4.886 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1 82180328 HVGYXIZWOWMSNS-QGZVFWFLSA-N 405.527 4.654 0 1 HJAF CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 84713197 LGEBWLKMKODIDE-HSZRJFAPSA-N 404.510 4.832 0 1 HJAF COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 100832553 XBEHJGFFEAVDFC-AKAXFMLLSA-N 403.523 4.765 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(OCCCO)c2)cc(-c2ccc3ncsc3c2)n1 141879821 NIHLQIZEUZHNJT-HNNXBMFYSA-N 420.538 4.996 0 1 HJAF O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F 148786233 PUPCDCUYNRSMDS-UHFFFAOYSA-N 405.347 4.986 0 1 HJAF COC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(NC(=O)CC3CCCC3)cc1)C2 166375081 IMVXOSMXHXOYKL-UHFFFAOYSA-N 421.497 4.540 0 1 HJAF COc1cccc(Cc2noc(-c3sc4ccccc4c3OC3CCNCC3)n2)c1 169307404 CMJODPOQSHUAIJ-UHFFFAOYSA-N 421.522 4.682 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 586916420 MCAOWUZDJJVGNR-CWTRNNRKSA-N 403.251 4.681 0 1 HJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587027620 XUODFNLHELIFMJ-UHFFFAOYSA-N 418.272 4.639 0 1 HJAF Cc1nn(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)c(C)c1Cl 587065275 NFAHSLUPEDMWGG-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(OC)nc4Cl)[nH]c3c2)cc1 587083716 HUHCGCHQFLXZMY-UHFFFAOYSA-N 409.829 4.866 0 1 HJAF COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Cl 587170973 HKYIHTOKFUPNHC-UHFFFAOYSA-N 401.800 4.820 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587198444 KQZDZUHHSVWQDV-UHFFFAOYSA-N 414.362 4.645 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587331701 FHBGENHUVBCXOO-ILBGXUMGSA-N 419.452 4.986 0 1 HJAF COc1ccc2c(c1)OC=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360310 UTEJHIYWSNKIIJ-VWNXMTODSA-N 404.393 4.700 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(Br)cc3)c1C)O2 587374541 YUDVAWLWKZVSKM-LJQANCHMSA-N 412.287 4.540 0 1 HJAF CCOP(=O)(C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OCC 587407982 KCCHEGBKVBHVAR-OAQYLSRUSA-N 403.415 4.704 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCn3ccnc3)c1)CC2=O 587472254 ZHISEOOGLCKJIN-QHCPKHFHSA-N 406.482 4.717 0 1 HJAF Nc1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577263 RMBQHDCXOPJXRI-JYFHCDHNSA-N 407.425 4.860 0 1 HJAF COc1ccc(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601025 PXRWDAJTYSVQLW-RCZVLFRGSA-N 402.446 4.903 0 1 HJAF CCCCc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1 587703150 ZCBTVLVECZWMQA-PSLIRLAXSA-N 400.723 4.931 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncccn3)cc2)N1 587775915 UYPTXNVTJXKBFQ-HXPMCKFVSA-N 414.278 4.794 0 1 HJAF CCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587798370 VFBQMTFAMKEIQP-WLRWDXFRSA-N 416.294 4.824 0 1 HJAF C/C(=C/[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587849907 WWEGFYSMBGPMKM-RUYYKWDGSA-N 409.368 4.893 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncoc1C(C)(C)C 587864237 HYONSFMTPVQEDH-UHFFFAOYSA-N 407.392 4.942 0 1 HJAF CC(C)(CC(=O)O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587955200 HMDGIHGLJBXIIV-UHFFFAOYSA-N 417.303 4.948 0 1 HJAF O=C(/C=C\c1ccccc1F)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653719078 IGKGNEPMCHQTPB-DHSLYTQISA-N 412.424 4.635 0 1 HJAF Cc1cc(N2CCCCC2)nc(NCCCNc2ccnc3cc(Cl)ccc23)n1 653876725 XBSUEIUGYQBZKL-UHFFFAOYSA-N 410.953 4.891 0 1 HJAF CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21NCCc2cc(C)c(F)cc21 962295380 DLPIWDJGSCLXQF-DEOSSOPVSA-N 422.525 4.990 0 1 HJAF Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21c2ccsc2CCN1Cc1cccnc1 963010431 NRWBUGRAFWQMQG-SANMLTNESA-N 423.541 4.620 0 1 HJAF C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(F)c(Cl)c3)(C1)C2 1911586093 QRTDJSSUMTUYJH-BQXHSLBWSA-N 404.844 4.546 0 1 HJAF O[C@H](CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12 594934 HOSAPRPVTWOIOP-JOCHJYFZSA-N 421.541 4.834 0 1 HJAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 773553 RZYHIJNQYUSKEW-GOSISDBHSA-N 404.441 4.802 0 1 HJAF O=C1CC[C@@](CCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)(Cc2cccc3ccccc23)N1 12041994 UCHSPCCYICWROG-XAJLNHFYSA-N 418.581 4.850 0 1 HJAF CC[C@]1(c2ccc(Cn3ccsc3=N)cc2)Oc2ccccc2-n2cccc2C1=O 13675356 NZHCULGQZLNYML-XMMPIXPASA-N 415.518 4.749 0 1 HJAF O=C(O)c1c[nH]c2cc(OCCc3ccc(Oc4ccccc4)cc3)ccc2c1=O 27706176 SPDHJJIYQNRXGG-UHFFFAOYSA-N 401.418 4.640 0 1 HJAF CN(Cc1ccccc1)[C@@H]1CCCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)C1 45187312 GLRUETJVULFVRM-HSZRJFAPSA-N 418.516 4.574 0 1 HJAF O=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 45229567 ZJNOQBXLGXXOLX-UHFFFAOYSA-N 416.550 4.784 0 1 HJAF CCN1CCN(CCCCCCCCOc2ccc(CN(CC)CC)cc2)CC1 49036377 SDCCOIUHZNWQIS-UHFFFAOYSA-N 403.655 4.885 0 1 HJAF COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)cc(OC)c1 82165968 XVYSESZWQCVIAE-UHFFFAOYSA-N 420.469 4.680 0 1 HJAF COc1ccccc1-n1nc(C2CCN(C(C)=O)CC2)cc1-c1ccc(Cl)cc1 84668654 YRVIZZBXORVSJK-UHFFFAOYSA-N 409.917 4.927 0 1 HJAF CN(C(=O)C1CCN(c2ccncc2)CC1)c1cccc(OCc2cccc(F)c2)c1 96285736 PYRZYLPLVNANDL-UHFFFAOYSA-N 419.500 4.679 0 1 HJAF CC(C)CCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169301233 WAICHBXZTLQXKX-YUAPZMEHSA-N 402.623 4.723 0 1 HJAF CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)C1 169703865 SRYCVYVGIUDKDA-UHFFFAOYSA-N 423.516 4.933 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 169714347 WPCJRHBBURTUND-GBEYLHAMSA-N 400.607 4.904 0 1 HJAF COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2c2ccc(C(=O)O)cc2)cc1 203857301 YRGMYWWQQSAYPS-QHCPKHFHSA-N 402.450 4.758 0 1 HJAF CNC(=O)c1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1 205316293 QZJRILHHQOUNIE-UHFFFAOYSA-N 410.452 4.639 0 1 HJAF COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C)cn1 205947646 RIMQWHYUWYEVEN-UHFFFAOYSA-N 403.360 4.612 0 1 HJAF N[C@@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1 223659869 XHEMLSAQWNQULE-GOSISDBHSA-N 416.550 4.581 0 1 HJAF CC(C)(C)OC(=O)n1cc(C[C@H]2CN(Cc3ccccc3)CC[C@H]2O)c2ccccc21 253951565 WEFVJADSVQYLMI-XUZZJYLKSA-N 420.553 4.850 0 1 HJAF CC(C)(C)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969098 GLLAXSJUCKJKBX-UHFFFAOYSA-N 408.483 4.931 0 1 HJAF CCOc1cc(/C=C/c2nc3ccnc(Cl)c3[nH]2)cc(Br)c1OC 586978639 ZLXQJFBSHHENTH-SNAWJCMRSA-N 408.683 4.952 0 1 HJAF CCn1cc(Br)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586986785 VCBPJALMOIAIQB-UHFFFAOYSA-N 420.266 4.798 0 1 HJAF FC1(F)Oc2cc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3cc2O1 586997177 AYXNJCZISUHHCX-OWOJBTEDSA-N 423.169 4.546 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4cn[nH]c4cc3[nH]1)N2 587032294 SKWJOFGPIJTDSH-MIJYTDESSA-N 410.528 4.566 0 1 HJAF Nc1ncc2c(n1)C[C@H](c1ccco1)c1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105218 SUVGGQXJDVUMMH-MRXNPFEDSA-N 416.440 4.766 0 1 HJAF N[C@@H](N=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138200 BRCUMENXJPNMQL-IBGZPJMESA-N 408.364 4.597 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccncn2)[C@@H]1c1ccc(F)cc1 587343992 FAFGBQXCRLPCCD-ILBGXUMGSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccccc2F)=COc2cc(O)ccc21 587386167 SSUXUUWPRFDWJL-XMMPIXPASA-N 419.408 4.595 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1N)(c1ccccc1F)[C@@H](C2)C3=O 587426422 NKPCICLEIYNBPR-GAJHUEQPSA-N 409.844 4.761 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OCc3ccccc3)CC1)CC2=O 587473971 DIVXVRMYVWZIDS-VWLOTQADSA-N 423.509 4.871 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1cccc(C)c1)C(=O)OCC)CC2=O 587484653 TVYORBKFCIPSOG-NBGIEHNGSA-N 410.510 4.799 0 1 HJAF COC(=O)c1cc(C)n(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514494 GCJOHEOTOFXFMX-HSZRJFAPSA-N 416.477 4.553 0 1 HJAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-n2cccn2)c1 587578864 BMFDZCZESYLUNP-RCZVLFRGSA-N 412.445 4.898 0 1 HJAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593405 COWABNZOIYENDJ-XUZZJYLKSA-N 406.434 4.893 0 1 HJAF C/C(=C/[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587618678 PRCMVVXDJCFFFQ-SJAFXVJJSA-N 407.491 4.776 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OC(F)(F)O3)N1 587722973 UYAFUYUGENVUDW-AYVTZFPOSA-N 400.194 4.533 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2-n2cccn2)N1 587732553 OBDZDFMHXPQBTM-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C[C@@H]2F)N1 587736526 AVEOLUYINIWZQH-IBZMOEQTSA-N 421.329 4.562 0 1 HJAF CC(C)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745910 XPYAWEYCKVJHCV-LRTDBIEQSA-N 419.338 4.980 0 1 HJAF CCOCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587794249 GHHKDLLVFVGAOC-YUNKPMOVSA-N 408.311 4.757 0 1 HJAF CCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587832528 ZBUYWXRNDHDAID-YEJXKQKISA-N 420.322 4.793 0 1 HJAF CC(=O)OCc1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587847894 MMIURQFAEPPMDG-MGNBDDOMSA-N 412.324 4.511 0 1 HJAF COc1cc(OCc2ccccc2)ccc1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962905341 DJRLSDJKJSZVOB-VWLOTQADSA-N 405.542 4.540 0 1 HJAF COc1cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)ccc1OCCC(C)C 963046812 LEDNOPGADPFLCM-DEOSSOPVSA-N 406.526 4.912 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356367130 WVDMINBHILGTIO-ZVDOUQERSA-N 420.532 4.924 0 1 HJAF CC(C)(O)C=CC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 2356593199 ARWYIFHSLQIOAX-DFBJGRDBSA-N 422.477 4.686 0 1 HJAF C[C@]12CCC[C@H](CO)[C@H]1[C@@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@@]12C3 2356780875 GWDZFSLRNFJCLZ-UJZVVXLOSA-N 410.554 4.796 0 1 HJAF COc1ccc([C@H](N)c2csc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 61904776 BPHDXNFCZDCGAS-INIZCTEOSA-N 422.432 4.863 0 3 HJAF CN1CCN(c2ccc(Nc3nccc4c3cc(-c3cccc(F)c3)n4C)cc2)CC1 205208103 HJYXUNAUOBDWBZ-UHFFFAOYSA-N 415.516 4.875 0 3 HJAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 13444573 HMRCFAPWUJGFPW-UHFFFAOYSA-N 418.578 4.629 0 1 HJAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(-c4ccccc4)cc3)ccc12 13677026 LSLOXWPUCPTPBQ-UHFFFAOYSA-N 413.473 4.876 0 1 HJAF COc1ccc2[nH]c(=O)c(-c3cc(C)cc(C)c3)c(OC[C@H]3CCCN(C)C3)c2c1 26577160 ZTJKDZJNWLALKP-SFHVURJKSA-N 406.526 4.541 0 1 HJAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCCCC1 27626712 AIUJYJRSMOVKCV-INIZCTEOSA-N 414.933 4.839 0 1 HJAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(F)c1 36189335 POHRSBLYZIRFBO-MUNABGDISA-N 410.533 4.678 0 1 HJAF O=C(O)C[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2ccccc21 43194207 GMKSWUJYABRINI-JHUXHLEVSA-N 422.569 4.517 0 1 HJAF CC(C)(C)OC(=O)N1CC(CN[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 72103331 MPDCYHCOYZVKEZ-IBGZPJMESA-N 421.463 4.646 0 1 HJAF C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O 96178408 OALZCBAIPRRJJG-QKKBWIMNSA-N 409.404 4.608 0 1 HJAF O=C(Nc1cccc(F)c1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100106781 PIVSLTVTOPIRQL-NUNAXRQHSA-N 405.448 4.604 0 1 HJAF O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)cc1Cl 103200239 IELQXUDHWGPALZ-UHFFFAOYSA-N 408.735 4.791 0 1 HJAF COc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2cccc(OC)c2)cc1 115923106 LWQFCTAXZZOWHW-UHFFFAOYSA-N 423.465 4.891 0 1 HJAF Cn1nc2c(c1Cc1ccccc1)-c1nc(Nc3ccccc3Cl)ncc1CC2 169702164 RZVRHMWJWMWLHQ-UHFFFAOYSA-N 401.901 4.964 0 1 HJAF Cc1ccc(CNC(=O)[C@@H](CC(C)C)Nc2cc(C)nc(Nc3ccccc3)n2)cc1 206774243 QAWCXOHDZFBTJX-JOCHJYFZSA-N 417.557 4.980 0 1 HJAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@H]2CC[C@H]1N2C 261134744 LUFCSMMNKWCPJV-OLMMMNRUSA-N 420.372 4.917 0 1 HJAF CC(=O)O[C@@H]1C/C(=C/C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC[C@@]32CO2)[C@@H](OC(C)=O)O1 299811433 PUYSRPOTFNSFGW-FZQWTRJGSA-N 420.546 4.513 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)c(C)c2[nH]1 586972575 ILSQALDVYQJQOO-KRWDZBQOSA-N 418.360 4.744 0 1 HJAF COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)nn1-c1ccccc1F 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ZXKKWHQLXQBDHT-XUZZJYLKSA-N 401.418 4.975 0 1 HJAF C[C@@]1(CSc2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605199 BLHZWIKOKHTYIJ-CVDCTZTESA-N 422.458 4.603 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2cccs2)CC1 587610498 GHANZUPCSBGLGN-URXFXBBRSA-N 421.518 4.696 0 1 HJAF Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br 587614061 QZIFBTWJOQPUBX-CJNGLKHVSA-N 418.268 4.623 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2OC(F)(F)F)N1 587721319 OXLFKWSINAHAGT-VPTHRUTESA-N 420.200 4.816 0 1 HJAF CCCCSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587848757 XSQMRJVEKOKOPF-DIFFPNOSSA-N 410.356 4.894 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1noc2ccccc12 587862471 OYUOLZKFXLWJEW-UHFFFAOYSA-N 401.344 4.602 0 1 HJAF CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cnc2s1 587876865 VNGKEUPUUHORQD-NSHDSACASA-N 424.457 4.420 0 1 HJAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 653878814 UAPIELCAVYOYCT-UHFFFAOYSA-N 423.472 4.679 0 1 HJAF Cc1c(F)ccc2c1[C@H](c1c(Cl)c3cc(Br)ccc3oc1=O)NCC2 962086808 AOCZZXSPMYBZDD-GOSISDBHSA-N 422.681 4.892 0 1 HJAF C[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641774 YLSVXPQEEKORRX-GUYCJALGSA-N 420.214 4.754 0 1 HJAF Cc1ccc([C@@]2(c3cnccc3C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962759466 BLGYWHRAVSXDHE-FYYLOGMGSA-N 410.439 4.636 0 1 HJAF Cc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 1772589208 VCCLESWBUAEFDB-MXVIHJGJSA-N 410.514 4.750 0 1 HJAF CC(C)(NS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F)C1CC1 1772593967 XIMWVTODMNEYPM-GDZNZVCISA-N 416.509 4.773 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1 1857612432 GRRARQOFQOLEAH-ZSEKCTLFSA-N 406.375 4.624 0 1 HJAF COc1cc(C(O)=C2C(=O)Nc3cc(Cl)c(-c4ccc5c(ccn5C)c4)cc32)on1 1857627924 PWMNTTDPDBOAHL-UHFFFAOYSA-N 421.840 4.874 0 1 HJAF Oc1ccc(Cc2[nH]c(Br)c(Br)c2Br)cc1 2356587038 WFENRQKTALRFAD-UHFFFAOYSA-N 409.903 4.599 0 1 HJAF Cc1cccc(-c2ncc(CN3CCC[C@](CO)(Cc4ccccc4C)C3)cn2)c1 11957715 CSLKKFDKALSJNG-SANMLTNESA-N 401.554 4.578 0 3 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214675 MAPXQIJRDUNXME-PNJWGLBASA-N 416.562 4.519 0 1 HJAF O=C(Nc1cccc2ncccc12)N1CCN(c2ccccc2C(F)(F)F)CC1 28107714 AGTUIUQAERPTBI-UHFFFAOYSA-N 400.404 4.608 0 1 HJAF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccccc3)c2c1 35079460 GGYIMXWHSBXJHO-CYBMUJFWSA-N 413.882 4.873 0 1 HJAF CC(=O)Nc1cc2c(Oc3ccc(I)cc3)cncc2s1 40424376 NEDYIZYLBCDVDP-UHFFFAOYSA-N 410.236 4.652 0 1 HJAF O[C@@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1 45338364 RPDCTDXIASTVJO-JOCHJYFZSA-N 401.485 4.993 0 1 HJAF CC[C@H]1CCCCN1c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 82066615 WAPMIMANUSPKAS-INIZCTEOSA-N 409.490 4.647 0 1 HJAF CC(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 96175148 HSRPEDUNBUFIGC-UTKZUKDTSA-N 408.567 4.559 0 1 HJAF COc1cc2c(cc1OC)[C@@H](Cc1ccc(NC(=O)Nc3ccccc3)cc1)C(=O)N2 101119023 LTFRDRFMVVHOQW-LJQANCHMSA-N 417.465 4.626 0 1 HJAF COc1ccc2nc(C)oc2c1[C@@H]1CCCC(=O)N1Cc1ccc2ccccc2n1 167484965 ZKDBZAPJINOVIE-FQEVSTJZSA-N 401.466 4.947 0 1 HJAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2[C@H]1C(=O)c1cc(Cl)ccc1N2O 195333870 MGPRWPRKOWIGJM-XNAIMREJSA-N 409.791 4.882 0 1 HJAF O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1cnccn1 205504857 ZVXSEKDQQNOHSK-UHFFFAOYSA-N 421.762 4.620 0 1 HJAF O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cccnc1 212178500 QMTDQDYAGOQABA-UHFFFAOYSA-N 402.542 4.911 0 1 HJAF in-vitro CC(=O)OC/C1=C\C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2CC/C(C)=C/[C@@H](OC(C)=O)C1 238752403 MIRFWTNVMCVZIZ-LHLUAYLUSA-N 406.563 4.731 0 1 HJAF CC(=O)OCC[C@@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@@H](OC(C)=O)C[C@@]12C 238764621 WWVYCXGWNHHXOT-KTIJTLQUSA-N 408.579 4.667 0 1 HJAF Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NCc1ccc2c(c1)OCO2 299829973 NFFBXEPXZVVNCJ-UHFFFAOYSA-N 416.506 4.754 0 1 HJAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1OC 586878797 AMZYEEXSAYCDGX-UHFFFAOYSA-N 400.434 4.895 0 1 HJAF CC(C)[C@@](C)(O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586893494 ZOVPZSVZVUKJML-LJQANCHMSA-N 409.383 4.837 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H](O)c6ccccc65)[nH]c4c3)o2)cc1 586905041 XPQLDLYSRHAMLH-SIKLNZKXSA-N 424.460 4.858 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587132068 IMVVPQFLGMPKHT-NSCUHMNNSA-N 402.706 4.869 0 1 HJAF CC(C)COc1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2cc1Br 587253255 DWUCEHNCSGWLSU-UHFFFAOYSA-N 411.303 5.158 0 1 HJAF COC(=O)c1coc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347903 CCYBCYNVDCCZMB-RDPSFJRHSA-N 422.408 4.502 0 1 HJAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359980 TVMIWGZFAVHBPB-NOZRDPDXSA-N 418.420 4.657 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1OCCCO1)(c1ccccc1Cl)O2 587379057 RMWXHYUMBATJPN-JOCHJYFZSA-N 401.890 4.635 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3nccn3C)cc1)CC2=O 587471747 TYVLRVQYNMSUNW-DEOSSOPVSA-N 406.482 4.538 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccccc1C)C(=O)OCC)CC2=O 587476928 BOXSXKBKWWSVRA-CPJSRVTESA-N 410.510 4.799 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(O)ccc1Oc1cccc(O)c12 587530770 HAFUUNGHNBNYCJ-RUZDIDTESA-N 400.430 4.991 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(Cl)c(Cl)c1 587543526 KRQVFRJYYLPLMN-RXVVDRJESA-N 417.244 4.548 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2ccccc2)CC1 587583082 QBNAVPZPYSTFKS-OZXSUGGESA-N 415.489 4.635 0 1 HJAF Cc1ccccc1-n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587583261 VENBODQXEJMOLJ-RDGATRHJSA-N 412.445 4.763 0 1 HJAF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2c(C(=O)O)cccc12 587637915 QXROUMUKDZUERG-UHFFFAOYSA-N 406.207 4.611 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(CC(F)(F)F)s2)N1 587712009 ZGTKAMXIRVMWDB-NXSYQRQQSA-N 409.246 4.773 0 1 HJAF CC[C@]1(Cc2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806535 JRYKCSOWRMRKOB-YEJXKQKISA-N 422.338 4.988 0 1 HJAF CC(=O)Oc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587812693 RJDYWTHUNYRMSJ-YUNKPMOVSA-N 406.295 4.754 0 1 HJAF Cc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587832104 YQVJLEFJOSUNPU-SZNDQCEHSA-N 420.322 4.929 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C3OCCO3)c2)N1 587832727 KOZKCYPFDBKPMM-UGSOOPFHSA-N 420.322 4.842 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cnn(C)c3)s2)N1 587847923 MUJHZNVUWIYRNM-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF Cc1csc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n12 587857485 QQRKOVOQMKGENZ-FUXBKTLASA-N 414.731 4.883 0 1 HJAF Oc1ccc(OCCc2ccccc2)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946152 KJNNROZWILHUNJ-UHFFFAOYSA-N 408.517 4.867 0 1 HJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccccc1Br 653845314 COXICQNKKJGZST-OAQYLSRUSA-N 408.299 4.937 0 1 HJAF COc1ccc2c(c1OC)[C@]1(CCc3cc(Br)ccc3C1)N(C)[C@@H](C)C2 962630661 NRBGZINIXQRPBN-RCDICMHDSA-N 416.359 4.727 0 1 HJAF COc1ccc(Cn2cccc2[C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)cc1 962640064 YSGZYLGDVMQHRY-NSYGIPOTSA-N 406.526 4.528 0 1 HJAF Cc1ccccc1[C@@]1(C[C@H]2CCC[C@@H](C(=O)O)C2)NCCc2c1c(C(C)C)nn2C 962920061 QMHJKWVQSCISKS-OSWQYVSFSA-N 409.574 4.522 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccc(F)cc3)o2)N1 962969203 PVNKDMBPLGOHLX-KUHUBIRLSA-N 407.775 4.706 0 1 HJAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OCCC(F)(F)F)ccc3C2)cc1 1772609720 CYDSBSBRLGEAAH-MRXNPFEDSA-N 420.475 4.773 0 1 HJAF Clc1nc(N2CCC(N3CCCCC3)CC2)c2ccn(Cc3ccccc3)c2n1 1857652050 OFKLUJDWQGDFGL-UHFFFAOYSA-N 409.965 4.588 0 1 HJAF CCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1 1857769948 GTCBBBBOAIYQKN-UHFFFAOYSA-N 423.538 4.977 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]3C=C(C(=O)OC)[C@@](C(=O)CCCC)(CC3)[C@@H]21 2356350639 HADAHVQGKBBPPW-SXFKCSSVSA-N 412.526 4.819 0 1 HJAF COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@H]1C2 2356718833 HNMHZCNKQFPENH-UCHMWAGMSA-N 414.542 4.581 0 1 HJAF C[C@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1cnc[nH]1)C2=O 2356803446 XCPAXKZWCUDCEI-IVCQMTBJSA-N 423.557 4.654 0 1 HJAF CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)c2ccccc2)nc1=O 101657706 SWKUBUBNUHHKPP-UHFFFAOYSA-N 408.523 4.564 0 3 HJAF C[C@@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1ccc(Cl)cc1 768956 ZHGJLYLMPINTTI-LJQANCHMSA-N 411.716 4.746 0 1 HJAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 14860403 WTGUNSGYPQJOLT-SWHJIRTISA-N 424.493 4.605 0 1 HJAF biogenic O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCN(C2CCCCC2)CC1 20557578 DRQQXBJOSDQHMN-UHFFFAOYSA-N 402.629 4.692 0 1 HJAF CCCCCC[C@@H](C(=O)O)n1cnc2cc(-c3ccccc3S(=O)(=O)O)ccc21 25972153 SXQSQRPWTIOLQS-IBGZPJMESA-N 416.499 4.546 0 1 HJAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCC3)c2ncccc2c1 28520795 AXPWFVKLNLJSQV-AVRDEDQJSA-N 424.589 4.551 0 1 HJAF CC(C)n1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21 28525811 NEQGXEYGWMJCLS-UHFFFAOYSA-N 418.522 4.713 0 1 HJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@@H]4OCC)O[C@H](C)CC3=O 29132912 OMIZSNPUKICYBX-PISHQANHSA-N 420.889 4.859 0 1 HJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1OC 35103060 DDEVDXKOTCTQPW-LUGTWXOSSA-N 402.531 4.773 0 1 HJAF biogenic COc1ccccc1CNc1ccnc(NCCc2cccc(C(F)(F)F)c2)n1 45189124 FLIWCXWAPLPFRK-UHFFFAOYSA-N 402.420 4.771 0 1 HJAF N=C(N)c1cc2c(O[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cccc2s1 45386376 MSOTYSLKONXWAT-OAQYLSRUSA-N 401.491 4.944 0 1 HJAF Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)cc(C(F)(F)Oc3ccccc3)c12 82053407 AZUCJPQRLNQDDY-UHFFFAOYSA-N 401.800 4.804 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)cc1OC 103532256 PKWYWAWLHJVKKF-LJQANCHMSA-N 414.531 4.715 0 1 HJAF C[C@H](CNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)c1ccccc1 103584819 LTJJZSIYZSRGAD-MRXNPFEDSA-N 402.523 4.735 0 1 HJAF CCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1sc2ccccc2c1C(C)=O 115232911 VVKSKGQYHQJQRU-UHFFFAOYSA-N 421.515 4.608 0 1 HJAF COc1cc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)nc2ccccc12 118093276 CIQQNJQVGQVLBS-GOSISDBHSA-N 402.454 4.568 0 1 HJAF O=C1/C(=C/NC2CCCCC2)N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N12 138413335 KZCVUGHYSYSDOA-ZHZULCJRSA-N 418.928 4.700 0 1 HJAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1/C=C/c1ccccc1 169692758 VYXYBKWIYQGIEA-FYBNUODKSA-N 417.505 4.944 0 1 HJAF COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C(C)(C)O)cc1 169696892 ILUZOIBPEBHOQH-OAQYLSRUSA-N 419.525 4.693 0 1 HJAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H]2[C@H]1C(=O)c1cc(Cl)ccc1N2O 195333876 MGPRWPRKOWIGJM-DPZKZMLUSA-N 409.791 4.882 0 1 HJAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586914891 ZGHNKWXSIPJTPO-PXNSSMCTSA-N 404.470 4.961 0 1 HJAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997495 SBQCQXGYBQEFAY-QLYOPUNGSA-N 424.500 4.745 0 1 HJAF C[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172259 DXSUNODRQYJAGU-KRWDZBQOSA-N 409.642 4.746 0 1 HJAF CCCOc1cc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2cc1Br 587242508 NNDXMIVDENSABM-UHFFFAOYSA-N 402.292 4.663 0 1 HJAF C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327676 GYLOLAMYKWQTMB-PGRDOPGGSA-N 423.831 4.682 0 1 HJAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345303 ISSAIOQDQMHDJM-ZJSXRUAMSA-N 406.457 4.790 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)nc(S)n3CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452873 PXMMGWKPBAIZPV-MWTRTKDXSA-N 408.523 4.797 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncc(Br)c2)N1 587682294 LFBZSBHJKPXTID-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC(C)C 587702615 FCPRGUYFXJVBNY-ROVAGQKXSA-N 409.265 4.782 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587827154 HURNTPXYPYGIDQ-OVWNDWIMSA-N 404.235 4.877 0 1 HJAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C=C3CCC3)[nH]c2c1 587965108 NOOGQNGNVSVWNA-UHFFFAOYSA-N 407.417 4.950 0 1 HJAF Cn1nc(C(F)(F)F)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1Cl 962692355 BCCOBCIMITYYFQ-BMIGLBTASA-N 419.875 4.684 0 1 HJAF CC(C)O[C@@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905436 PQLOOECUAPSKMD-GNKBHMEESA-N 419.496 4.835 0 1 HJAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(ccc(OCC(F)F)c3Cl)C2)cc1 1772616231 FOBSVOCGKLUHFT-CQSZACIVSA-N 422.903 4.739 0 1 HJAF C=CC1=CO[C@]23C[C@@H](OC(C)=O)[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@H]2C[C@@H](O)CC[C@@]21C 2356536225 HEVBJYCZSNXYKU-QENQUUAOSA-N 400.559 4.771 0 1 HJAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CCc3ccoc3C=O)[C@@H](COC(C)=O)CC[C@@H]12 2110035 ZHHSQWXVDIXZCB-PGQUIULKSA-N 418.530 4.600 0 1 HJAF biogenic Cc1c(C(=O)Nc2ccc(Cl)cn2)sc2ncnc(N3CCCC[C@@H]3C)c12 2924142 LYXCTCQXINMYHR-NSHDSACASA-N 401.923 4.679 0 1 HJAF CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 6725262 MZHNWFRXQJYOIJ-SFTDATJTSA-N 406.507 4.696 0 1 HJAF FC(F)(F)c1cccc(N2CCN(c3nc4sccc4n4cccc34)CC2)c1 13755962 HGYNWZFKHCMJGM-UHFFFAOYSA-N 402.445 4.894 0 1 HJAF CCCC[C@](O)(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010009 AJBFTKKXGPDMJF-SFTDATJTSA-N 420.340 4.551 0 1 HJAF CC(=O)OC/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@@H](O)CC=C(C)C)OC1 27892929 NIYAENRGXVJXGA-MXDOMQGVSA-N 424.578 4.500 0 1 HJAF CCCC[C@@H]1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050703 PNNHQGDWIIUMFS-JOCHJYFZSA-N 424.508 4.816 0 1 HJAF O=C1NC(=O)[C@H](Cc2ccc(OCCn3c4ccccc4c4ccccc43)cc2)S1 29388715 DQEQNNHEUJJNIH-QFIPXVFZSA-N 416.502 4.768 0 1 HJAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@@]45C[C@@]35CC[C@]12C 33830460 GMNAPBAUIVITMI-QJKZJIHWSA-N 402.667 4.592 0 1 HJAF O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCCN(Cc2ccccc2)C1 34802336 VBMVFCIJGFHCCF-RUZDIDTESA-N 411.549 4.620 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CC[C@H]3[C@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@@]32C)cc1 36189260 FSHSFSWCXDGVQS-ZNWKOOHGSA-N 406.570 4.847 0 1 HJAF COC[C@H]1C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 100619026 WTVRBZGFYWIYQU-SAABIXHNSA-N 400.482 4.911 0 1 HJAF CC1(C)COP(=O)([C@@H](OC(=O)COc2ccccc2Cl)c2ccco2)OC1 103173596 SJEFLUHVMBCLNL-QGZVFWFLSA-N 414.778 4.820 0 1 HJAF O=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2s1 139096708 NAFFYPRSYNVTLO-UHFFFAOYSA-N 417.490 4.551 0 1 HJAF Cc1cc(F)ccc1Oc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143157573 UXNUHKSSUVUOKZ-UHFFFAOYSA-N 422.334 4.766 0 1 HJAF Cc1c(Br)cccc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 392337370 XIBSPFXCJSAXNA-UHFFFAOYSA-N 402.317 4.690 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586960017 MHDWQAWZBOMWHL-GKCIPKSASA-N 415.946 4.911 0 1 HJAF COc1cncc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 587088214 VMPKPCIGVQCAMH-BQYQJAHWSA-N 414.296 4.997 0 1 HJAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 587182596 QTAQETUFMFSBRD-ZETCQYMHSA-N 421.069 4.589 0 1 HJAF O=C1C[C@H](c2c(Cl)nc(N3CCCC3)nc2Cl)Oc2c1ccc1c2CCCC1 587497810 GXEYJTYQAJKYHP-MRXNPFEDSA-N 418.324 4.969 0 1 HJAF C[C@@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549730 RJJKJIVGSZITKF-NQIIRXRSSA-N 416.351 4.994 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2F)o1 587570779 YMCLDTVQHFVXOQ-WMZHIEFXSA-N 403.365 4.889 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 587571421 ODWPQJJHODPTJL-WMZHIEFXSA-N 402.381 4.624 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(C2CCCCC2)nc1 587589508 XIMSFRPPDHYDRI-NZQKXSOJSA-N 402.450 4.933 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc3c(cc12)CCC3 587609211 MYOHYBCFSPBPPA-JYFHCDHNSA-N 414.457 4.911 0 1 HJAF CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1NC(=O)OCc1ccccc1 587631605 QJDQZHDNRMYDJK-UHFFFAOYSA-N 404.825 4.815 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncc2Br)N1 587688226 XGLRBFWYTCRRDF-JDNHERCYSA-N 414.116 4.543 0 1 HJAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1O 587691635 HGUMDFPQOCRZLP-VPTHRUTESA-N 400.675 4.579 0 1 HJAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cnn(-c2ccccc2)c1 621476082 HXBMZWOWRRRPBT-UHFFFAOYSA-N 412.280 4.676 0 1 HJAF Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729854 KBZNAQXKZUVLPF-YLJYHZDGSA-N 424.850 4.538 0 1 HJAF Cc1nc2c(C)cccn2c1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961279 TWHOVJKFDMYFKU-IBGZPJMESA-N 415.459 4.711 0 1 HJAF Cc1c([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)[nH]c2ccccc12 963182793 RVALXIDZNHXIBS-RDTXWAMCSA-N 408.807 4.837 0 1 HJAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(-c2cccc(CO)n2)cc1 963288711 FIHGRDUHSGPLGZ-QFIPXVFZSA-N 409.327 4.581 0 1 HJAF Clc1ccc(Oc2ccccc2)cc1-n1cc(Cn2ccc3cncnc32)nn1 1857606989 PAMAOZCLKZJFAI-UHFFFAOYSA-N 402.845 4.506 0 1 HJAF COc1cc(-c2cncc(-c3ccc(N4CCOCC4)cc3)c2C)cc(OC)c1OC 1911578931 ARDORRMBSSVSKV-UHFFFAOYSA-N 420.509 4.586 0 1 HJAF C[C@@H]1[C@@H](N(C)C)CC[C@]23C[C@@]24CC[C@]2(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@@H]13 2356566283 YEPSFDDUIHVEJE-DMGNNYPBSA-N 416.694 4.887 0 1 HJAF CC(C)=CCC[C@H](C)C=CC=C(C)C1CCC(C(=O)NCCS(=O)(=O)O)CC1 2356821452 GAYAEIJZXLTJRP-PELRDEGISA-N 411.608 4.682 0 1 HJAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]12C 256431411 OZZAYJQNMKMUSD-INUCVHHCSA-N 416.558 4.931 0 3 HJAF in-vitro CC[C@H]1CCCCN1C(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C 753913 BFCJRTFKOSELOM-KRWDZBQOSA-N 400.592 4.949 0 1 HJAF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4207557 NVKANAZLWMNUDF-GMAHTHKFSA-N 422.912 4.738 0 1 HJAF CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N(C)C 4295596 MEENKTGBICEVBC-MSOLQXFVSA-N 411.340 4.560 0 1 HJAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)c(Cl)c1 13601616 SLKXASVZRYFIDY-HXUWFJFHSA-N 424.287 4.539 0 1 HJAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccc1C(F)(F)F 13726828 LFBPUPJLIZDNMB-SXWSKBOKSA-N 416.421 4.771 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2cc(N3C[C@H](C)N[C@H](C)C3)ccc2n2cncc12 13860340 RRMQEBPBEMVAOL-IYBDPMFKSA-N 420.948 4.775 0 1 HJAF CCCCN(C)C[C@@H](C(C)=O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 16958104 OEHWJTHJYQHSRA-UNMCSNQZSA-N 407.510 4.568 0 1 HJAF CCOC(=O)[C@H](Cc1ccc(Br)cc1)Nc1nc2ccccc2s1 27998026 HPISIEUFMKZFTD-HNNXBMFYSA-N 405.317 4.645 0 1 HJAF CCC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O 28652305 BEXZWJKLLDXOCX-MRXNPFEDSA-N 423.431 4.687 0 1 HJAF O=C(O)c1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@H](c3ccc(F)cc3)C2)cc1 62224703 RVYHOKLRSZIEPF-NRFANRHFSA-N 404.397 4.578 0 1 HJAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(F)c(F)c1)c(O)c1ncccc12 66080368 JCFPLPNSOWXVFW-UHFFFAOYSA-N 416.405 4.875 0 1 HJAF COc1ccc2c(c1)nc(CSc1nc(-c3ccccc3)cn1C)n1nc(C)cc21 66251457 INOKWGGMXVYSMK-UHFFFAOYSA-N 415.522 4.892 0 1 HJAF CC(C)c1ccccc1NC[C@@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O 95591006 AZDPZNROINPLMZ-GOSISDBHSA-N 409.526 4.940 0 1 HJAF Cc1nn(Cc2cc(F)ccc2F)c(C)c1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12 96282978 LRWNZUVVRSBHQU-UHFFFAOYSA-N 418.451 4.770 0 1 HJAF COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(Br)c1O 169290379 WCROFLNXVAMUFW-RPXQORIISA-N 409.320 4.935 0 1 HJAF C[S@@](=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3cccc4c3OCCC4)n2)c1 218918251 CJEPQTSCKKXACU-GDLZYMKVSA-N 412.490 4.528 0 1 HJAF CC(C)COc1cccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)c1 221308291 WUDZUCTZWPIAKE-HNAYVOBHSA-N 416.497 4.805 0 1 HJAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)cc3[nH]2)C[C@@H]2CCCC[C@H]21 586960024 MHDWQAWZBOMWHL-KPOBHBOGSA-N 415.946 4.911 0 1 HJAF O=C(O)Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586987138 KAZVIXVYNOIABT-UHFFFAOYSA-N 420.424 4.858 0 1 HJAF Clc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2n1 587020521 CGRIPEOVKAEVMQ-UHFFFAOYSA-N 404.886 5.540 0 1 HJAF FC(F)(F)Oc1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076730 OFAZYDLNMCNBQW-UHFFFAOYSA-N 408.767 4.950 0 1 HJAF Fc1cc(Br)c(Cl)cc1-c1nc2cncc(Br)c2[nH]1 587137127 UZNKUJAITZTHFQ-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COc1ccc2c(c1)C[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354864 VZKJLYQOJHGTGX-ILBGXUMGSA-N 404.437 4.827 0 1 HJAF O=C(O)c1csc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370472 BRNSDCRFFCRROW-WMZHIEFXSA-N 424.449 4.882 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 587380573 WJLKALWPBKHLDL-XMMPIXPASA-N 418.880 4.638 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(OCC(=O)O)ccc3ccccc13)CC2=O 587484718 UOTYHJDKLRLMET-NRFANRHFSA-N 406.434 4.668 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(Br)sc31)CC2=O 587493314 DTFIHFACAJKHSD-GOSISDBHSA-N 408.317 4.761 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(O)c2)N1 587680665 UYRHNVHOILVXGX-PWJLMRLQSA-N 415.100 4.680 0 1 HJAF CCCCc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1 587703155 ZCBTVLVECZWMQA-VFZGTOFNSA-N 400.723 4.931 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(F)cc2)N1 587735827 QKEVGBLVQWYELI-ZSEKCTLFSA-N 415.281 4.948 0 1 HJAF COc1ccc(/C=C/Cc2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c1 587928629 GHFRKBDUGRBOEX-ONEGZZNKSA-N 408.683 4.647 0 1 HJAF CCOc1cc(C(C)=O)c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl 587945743 NFCWPMRENWDBMW-UHFFFAOYSA-N 421.856 4.503 0 1 HJAF CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)c2cc(OC)ccc2CCN1C(C)C 962095716 ZRZOGMLQRDANER-AREMUKBSSA-N 407.554 4.647 0 1 HJAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(C(F)(F)F)cc3F)N12 962674040 VDGHARHDFUAEEL-RXVVDRJESA-N 418.390 4.581 0 1 HJAF Cc1ccccc1[C@H]1NC(=O)N(C)C2=C1[C@]1(CC(C)(C)C2)NCCc2c(C)ccnc21 963072707 UMXFREHIJCSUSZ-GJZUVCINSA-N 416.569 4.510 0 1 HJAF Cc1ccc([C@]2(c3cccc(Br)c3)NCCc3c(C(=O)O)cccc32)cc1 963120388 HJCXKIAKJBEEJA-HSZRJFAPSA-N 422.322 4.893 0 1 HJAF O=C(Nc1nc2ccccc2s1)c1sc2cc(C3=NCCN3)ccc2c1Cl 1857536440 WCECTHJYKGYVLM-UHFFFAOYSA-N 412.927 4.767 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@@H]3O[C@@H]2CC(C)=CCC[C@]3(C)OC(C)=O)[C@H]1C(C)C 2356754572 OKHREEBDBYKLKA-VRGUFOAXSA-N 404.547 4.602 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1nn(-c3ccc(F)cc3)nc12 5850661 JAUDVHBWCFGZJO-JHGMGJGUSA-N 407.533 4.744 0 1 HJAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 13444567 OSENGOVQGXZHHZ-UHFFFAOYSA-N 418.578 4.773 0 1 HJAF Clc1ccc(CN2CCO[C@H](COc3ccc(Cl)c4cccnc34)C2)cc1 13579628 CXJZXQCJAQVMSS-KRWDZBQOSA-N 403.309 4.821 0 1 HJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@H]2C=CC=C[C@H]21 20116670 KICYSZOYNLAVJI-PBEJRMEISA-N 414.461 4.570 0 1 HJAF CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCCC1)c1ccccc1 28827237 SRZUBCVMTDFDRI-DEOSSOPVSA-N 411.496 4.693 0 1 HJAF Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccncc3)C[C@H]2Cc2ccccc2)c1 29348272 ZUVRLHQMDUAXKL-IZZNHLLZSA-N 413.565 4.704 0 1 HJAF CCCCN1C(=O)O[C@H](COC(=O)Cc2ccccc2)[C@H]1CCCc1ccccc1 40565421 GCORGHIXDIMHIC-DHIUTWEWSA-N 409.526 4.785 0 1 HJAF CC(C)=CCc1cc([C@H]2Oc3cc(O)c(CC=C(C)C)cc3C(=O)[C@H]2O)ccc1O 43074576 YELBDRXMPXVGQT-JWQCQUIFSA-N 408.494 4.793 0 1 HJAF biogenic O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 53243942 FTEVPRNQTOCDGU-UHFFFAOYSA-N 403.843 4.631 0 1 HJAF Cc1nc2c3ccccc3nc(SCc3nc(-c4ccccc4Cl)cn3C)n2n1 71341340 ISTRTXIBZGNLMS-UHFFFAOYSA-N 420.929 4.932 0 1 HJAF CN(C)CCCc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1 73198928 UUDBSVCJXTXMCE-UHFFFAOYSA-N 421.932 4.529 0 1 HJAF C1=C\CNc2cc[n+](c3ccccc23)CCCCC[n+]2ccc(c3ccccc32)NC/1 96927149 NRESQBMHTKQJJE-SZGQEMLTSA-P 410.565 4.832 0 1 HJAF O=C(NCCNc1ccnc2c(F)cc(F)cc12)Nc1ccc(C(F)(F)F)cc1 103179444 JUGWVNKQLRASNW-UHFFFAOYSA-N 410.346 4.765 0 1 HJAF COc1cccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c1 145153785 ULPHERUXCWNZNF-UHFFFAOYSA-N 418.375 4.964 0 1 HJAF C#CCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 166722625 PPEXYQWNOLAWNK-JLHYYAGUSA-N 410.502 4.643 0 1 HJAF O=C(c1ncc(-c2ccccn2)o1)[C@@H]1COc2cc(OCc3ccccc3)ccc2C1 169336440 LKKWQRMAYIEENV-IBGZPJMESA-N 412.445 4.750 0 1 HJAF Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O 169351394 BTAUFYWICSLREV-UHFFFAOYSA-N 400.471 4.866 0 1 HJAF CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccncc3)ccc1O2 224299838 NESVKGZXFAMOSA-VWLOTQADSA-N 415.493 4.868 0 1 HJAF C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 255238627 MWBJDDYEYGDWCZ-SXNBDITOSA-N 413.646 4.771 0 1 HJAF COc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1 261122768 JUNSASVZVKBFQH-PUXCOOOISA-N 422.569 4.547 0 1 HJAF COCCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C1=O 299814973 AGCUNNGZFILFIJ-OPRKNOPESA-N 422.569 4.833 0 1 HJAF COC(=O)c1cc2nc(CCc3cccc(O)c3)[nH]c2c(F)c1Nc1ccccc1 586897094 QUROZEOKHMNDEE-UHFFFAOYSA-N 405.429 4.723 0 1 HJAF O[C@@H]1C[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc21 586903495 PQPQPBAXQKRXRG-ZWNOBZJWSA-N 408.093 4.657 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H](O)c6ccccc65)[nH]c4c3)o2)cc1 586905039 XPQLDLYSRHAMLH-DENIHFKCSA-N 424.460 4.858 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 586915809 IGXTYRIUKVWUQU-YJYMSZOUSA-N 403.251 4.681 0 1 HJAF O=S(=O)(c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1)C(F)(F)F 587021596 MKVHUICHOZJSQU-UHFFFAOYSA-N 423.441 4.571 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587037884 ZXJNLFOZPODGAB-CQSZACIVSA-N 409.330 4.552 0 1 HJAF FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 587040908 VCNQGPLAWBCCSZ-UHFFFAOYSA-N 417.210 4.524 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4ccc(F)c(Br)c4[nH]3)c2Cl)c1 587160718 FRPQOJHXJIFDJC-UHFFFAOYSA-N 424.636 4.564 0 1 HJAF Fc1ccc(-c2cn3c(Cc4nc5cc6c(cc5[nH]4)OCCCO6)csc3n2)cc1 587166122 MXEONDTUXQSCSB-UHFFFAOYSA-N 420.469 4.830 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239588 LVYQOHKMUZPQSO-BQMFCVJUSA-N 422.529 4.666 0 1 HJAF N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cccc2ccccc12 587259468 RYGNKVLOVCJWAP-AWEZNQCLSA-N 402.242 4.999 0 1 HJAF COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587401862 ZJEZXJZGBZZDCB-RUZDIDTESA-N 401.462 4.668 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(F)cc1)[C@@H](C2)C3=O 587427098 GUJOSCZQVRLWCF-YADARESESA-N 420.436 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)CC2=O 587465263 GFHZSCUNMLEPPG-MDRMPYQZSA-N 417.452 4.882 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587475188 JWNHXQKMAZLTRA-XXBNENTESA-N 403.519 4.858 0 1 HJAF COc1ccc([C@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506863 QHZLXIYUJVIJDH-DEOSSOPVSA-N 412.457 4.829 0 1 HJAF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CO)ccc21 587529213 LNUYUQBGBCUYHK-MHZLTWQESA-N 410.469 4.511 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(=O)C(F)(F)F)cc1 587543510 CKQFMQHBVXZNOU-YLJYHZDGSA-N 414.335 4.840 0 1 HJAF Cc1cc(Br)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549856 YOAVOBWIVYZXNY-YLJYHZDGSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1OC(F)(F)F 587557110 QDFCCOKMVKEUGU-XLIONFOSSA-N 418.323 4.699 0 1 HJAF CCOc1ccc(-c2nn(-c3ccncc3Cl)c(=O)c3ccccc23)cc1OCC 587668932 PCNKNMWQKAEYSF-UHFFFAOYSA-N 421.884 4.899 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1O 587698648 ZHSZJFHAOKVFDS-BCTVWOGZSA-N 400.675 4.579 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)c(F)c2)N1 587726115 UQMHUHMYFQXTIG-MPBGBICISA-N 418.285 4.711 0 1 HJAF Cc1nc2ccccc2nc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587779959 WZDIYRLZXDYWMD-BIBXISHDSA-N 400.295 4.638 0 1 HJAF COc1ccc2[nH]c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc2c1 587863281 FPOCXOOVJHQHTH-UHFFFAOYSA-N 415.371 4.756 0 1 HJAF CCOC(=O)CC[C@@]1(C2CCCC2)NC2(CC2)Cc2ccc(Br)cc21 961613144 GQYGMFIXTWJODW-NRFANRHFSA-N 406.364 4.856 0 1 HJAF COc1ccc([C@@]2(c3ccccn3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962723044 YCNQJSXTDGZJMS-DFBJGRDBSA-N 420.553 4.885 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCC(=O)O)c1cccc(Cl)c1Cl 963614038 WCDLOIKMCXLMRE-GTJPDFRWSA-N 424.324 4.653 0 1 HJAF COC(=O)CCCCN1C(=O)[C@H](CC(C)C)N=C(c2ccccc2)c2ccccc21 1772631924 IVBJEKPPONEYNF-NRFANRHFSA-N 406.526 4.629 0 1 HJAF CCCCOC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 1857542948 NUHAUYISOJXQFM-WSKLTFMVSA-N 412.618 4.875 0 1 HJAF O=C(O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 1857549391 XJNPROORRVATHD-UHFFFAOYSA-N 413.520 4.520 0 1 HJAF Cn1c(O)c(C2=NN(c3ccccc3)[C@@H](C=Cc3ccccc3)C2)c(=O)c2ccccc21 2356848814 PIZAUUSMPAXSBA-NRFANRHFSA-N 421.500 4.941 0 1 HJAF CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c1 5115406 SGDCQLOWOTYOIT-UHFFFAOYSA-N 410.568 4.677 0 3 HJAF O=C(c1ccc(Cl)cc1Cl)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205223073 VJKKMGURNLBEFC-NHYWBVRUSA-N 413.663 4.661 0 3 HJAF N[C@H](COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12 14962351 GWJHMRBQEUHFOC-SFHVURJKSA-N 400.507 4.788 0 1 HJAF C[C@@H](C(=O)CN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1 26181651 USIACVWKSQEQGG-GJULWVSJSA-N 423.463 4.635 0 1 HJAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4cc(C)on4)oc3C)ccc21 28563991 DZEBXLFVYQEPOX-MJGOQNOKSA-N 410.470 4.709 0 1 HJAF Cc1[nH]c2ccc(Cl)cc2c1CCN1CCC[C@H](c2ccnc(NC3CC3)n2)C1 40917372 VVIDYCWBWCGBLY-INIZCTEOSA-N 409.965 4.916 0 1 HJAF in-vitro Nc1n[nH]c2c1S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(Cl)c(Cl)c1 40940571 KMWGNZMHKCXMBH-UHFFFAOYSA-N 415.689 4.568 0 1 HJAF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(F)cc1)N1CCCC1 82140321 SXNLQAXHRZXXAQ-UHFFFAOYSA-N 424.907 4.827 0 1 HJAF Cc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2C[C@H]2CCCO2)o1 82179943 AELNYCQGNNYENR-LJQANCHMSA-N 417.513 4.618 0 1 HJAF CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1C[C@H]1CCCO1 82181004 SHHNMGYFTHJWFH-GOSISDBHSA-N 411.525 4.703 0 1 HJAF CCOC(=O)CCCOc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 95560077 BIOYIAFMJHRTTG-UHFFFAOYSA-N 407.466 4.579 0 1 HJAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cccs1 109643881 WDFUHXWAFLOMHJ-PMACEKPBSA-N 423.921 4.596 0 1 HJAF CN(C)[C@]12C[C@H](NCCN3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 299812029 LLSXDPCIBNMKAU-IXSXPGEMSA-N 417.641 4.722 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](NCc1ccccc1)C3 586987596 PAQGQSNPAVZDBZ-QGZVFWFLSA-N 406.485 4.799 0 1 HJAF Brc1cnc2c(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cnn2c1 587009021 RSFRLVWWCONUBP-UHFFFAOYSA-N 420.270 4.614 0 1 HJAF Fc1cnc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 587032666 MKCSNHIBYLHIAE-UHFFFAOYSA-N 403.280 4.867 0 1 HJAF COc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1F 587182724 LSKLRDCLCFNWHU-UHFFFAOYSA-N 402.594 4.636 0 1 HJAF COCOc1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587428048 LLVSPAURIMZBNS-PXDATVDWSA-N 420.436 4.508 0 1 HJAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)CC2=O 587464989 DNHGGLJVPXDXRL-RGPPVUSESA-N 417.452 4.882 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc3ccccc3c1)CC2=O 587486359 ZJMGXTXRZXUMAA-VWLOTQADSA-N 404.462 4.922 0 1 HJAF O=C(CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Cc1ccc(F)cc1 587567716 BHVMTDSCMYMYPY-GGAORHGYSA-N 420.436 4.844 0 1 HJAF N[C@H](Cc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(=O)O 587625549 KAGFFMMWQSPYHI-CYBMUJFWSA-N 416.321 4.827 0 1 HJAF CSc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3ccc(S(C)(=O)=O)cc23)n1 587649935 FAZLXCLNLCIKMH-UHFFFAOYSA-N 413.499 4.556 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794479 VGDMEEQLCYSWQI-CFMSYZGJSA-N 423.326 4.673 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCS2)N[C@H](C)Cc2ccc(F)c(Br)c21 587855469 GHKHFHVJQDNVKZ-NSPYISDASA-N 408.336 4.870 0 1 HJAF Cc1nc(C(C)(C)C)sc1[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962674157 VTALUWABOBBMHH-ZEQRLZLVSA-N 423.582 4.659 0 1 HJAF C[C@]1(c2c(O)nc3ccccc3c2-c2ccccc2)NCCc2nc3ccccn3c21 962988295 XWMVLAQIIORMRI-AREMUKBSSA-N 406.489 4.664 0 1 HJAF Nc1c([S@@](=O)CCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 1772640947 JPNJHZVSNGCECQ-MHZLTWQESA-N 414.577 4.764 0 1 HJAF Cc1cc2nccc(-c3ccnn3C)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 1857766484 TZPCPZGAYFZEIR-UHFFFAOYSA-N 412.537 4.751 0 1 HJAF CCC[C@@H]1c2cc[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c2c1CCCO2 2356292490 QWCZPDURECPWHZ-TZIWHRDSSA-N 407.510 4.733 0 1 HJAF C[C@@H](C(=O)O)c1c([C@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1cnc[nH]1)C2=O 2356803448 XCPAXKZWCUDCEI-PUAOIOHZSA-N 423.557 4.654 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356827268 HOYDPSPJTCNOEF-NYLRSQETSA-N 408.582 4.807 0 1 HJAF O=C(c1cccs1)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCC1 8586307 NJEJDNRNKBBJNL-UHFFFAOYSA-N 413.568 4.510 0 3 HJAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCC(C)(C)CO 4273750 FUVBCIFXNQTZEG-PKTZIBPZSA-N 410.558 4.988 0 1 HJAF COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1 14945408 HWULKSXYWFYZAO-UHFFFAOYSA-N 421.520 4.588 0 1 HJAF O=[S@@](c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)(F)C(F)F 28218764 RERPMDFWXMBVKD-HHHXNRCGSA-N 404.335 4.987 0 1 HJAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 34342206 RTORIISPKDCKRR-HOYKHHGWSA-N 416.514 4.756 0 1 HJAF biogenic CN(C)C(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CCC3 36190304 FXDOOWLBUJULIJ-INIZCTEOSA-N 424.928 4.939 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2C[C@H]2C)c(Cl)c1 43063634 GRRARQOFQOLEAH-ILRUXTBWSA-N 406.375 4.624 0 1 HJAF COc1cccc2c(NCc3ccccc3)nc(NCCCN3CCCC[C@H]3C)nc12 45226978 WIHUKPNPABUUFY-LJQANCHMSA-N 419.573 4.927 0 1 HJAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3C)ncnc21 82180156 QIFKVWZRRNPIKM-UHFFFAOYSA-N 407.905 4.714 0 1 HJAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NCc1ccccc1 82192301 FIKIVXSWLWUXNM-SFHVURJKSA-N 415.559 4.799 0 1 HJAF COc1ccc(CSc2nc(O)c(C(C)C)c(C(=O)c3ccccc3F)n2)cc1 96939934 XVZVVBATNVUIRX-UHFFFAOYSA-N 412.486 4.977 0 1 HJAF C[C@]12CC[C@H]3[C@@H](C[C@H](F)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 141905387 NIRUKMZQAJQOKO-IOJYCFEASA-N 403.513 4.681 0 1 HJAF O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccccc1F 143334563 GLAOVKJPRWTUAH-UHFFFAOYSA-N 401.235 4.815 0 1 HJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077207 UHOAWGWAYAPKOX-UHFFFAOYSA-N 407.857 4.757 0 1 HJAF COC(=O)c1cccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c12 587143517 GZKAYFFLXQKXEX-UHFFFAOYSA-N 420.396 4.529 0 1 HJAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(OC)c(OC)cc3[nH]2)cc1F 587144052 HRVKXLKJUDJREO-UHFFFAOYSA-N 406.413 4.626 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(F)c1 587144691 NLCVOXKBXMIKIS-UHFFFAOYSA-N 404.397 4.814 0 1 HJAF N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1cccc2ccccc12 587259519 UMCIPJAHQANKMF-AWEZNQCLSA-N 401.695 4.770 0 1 HJAF C[C@]1(c2cnc3cccnc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343437 BZKSIZCLJMHXHL-ISKFKSNPSA-N 400.409 4.749 0 1 HJAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360338 VADIUXAQLCKIRT-NOZRDPDXSA-N 418.420 4.712 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc31)O2 587385620 UJTLOKMXXOKLKE-QHCPKHFHSA-N 412.461 4.722 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccco1)[C@@H](C2)C3=O 587420625 YLGCVXGWUGAICF-KKSFZXQISA-N 411.251 4.742 0 1 HJAF CCNC(=O)c1cccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587431930 IPSPDIXMHVJKEK-BWKNWUBXSA-N 413.473 4.601 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccc3c(c1)CCO3)CC2=O 587488829 KKRVPYHCAZXNOT-VWLOTQADSA-N 401.462 4.584 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508621 WNGOOVBBZKJTRJ-QFIPXVFZSA-N 402.849 4.782 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Cn1ccnc1 587579161 STCOAUSEZHSSCI-JBUDQFAYSA-N 404.466 4.570 0 1 HJAF Cc1sc(N)c([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587614443 SLAFFOKPAVYJKN-AUSIDOKSSA-N 407.491 4.920 0 1 HJAF CCOC(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622198 DJJMVTNNOGAKRQ-UHFFFAOYSA-N 402.223 4.790 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(F)F)N1 587719652 QYKJMDQLBGHNTK-MLCYQJTMSA-N 400.238 4.856 0 1 HJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1CCCO1 587751249 LSAXEQAQDAQZID-PKQAIAMASA-N 421.354 4.809 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587764627 ALVCKIBXCZDZNS-LBPFBCOMSA-N 415.350 4.612 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587770335 PVNIZUQNEQVOHE-YLVFBTJISA-N 413.331 4.563 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587789709 BHSHMBKKIAIFAE-YUNKPMOVSA-N 400.295 4.910 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800496 YDFWXPOADNHZLV-LHSJRXKWSA-N 420.322 4.546 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3nc(Cl)sc3C2)N1 587857649 MGOGQBWFLDSNDX-ZKANADHPSA-N 401.732 4.617 0 1 HJAF CC[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1nc(C)c(Br)c1C 587872100 HCCAHKRAYNAAJM-AWEZNQCLSA-N 419.254 4.662 0 1 HJAF CC[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1nc(C)c(Br)c1C 587872101 HCCAHKRAYNAAJM-CQSZACIVSA-N 419.254 4.662 0 1 HJAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c(Cl)ccc(F)c2Cl)N1 962977359 OWLQEIZQSUFZME-BMIGLBTASA-N 410.606 4.752 0 1 HJAF Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21c2ccsc2CCN1Cc1cccnc1 963010429 NRWBUGRAFWQMQG-AREMUKBSSA-N 423.541 4.620 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cccc(-c2ccc(C(=O)O)cc2)c1 963634629 KZSUBKVEYBVIBO-YHAMSUFESA-N 417.505 4.867 0 1 HJAF COc1ccc(CN=c2[nH]nc(N3CCCCC3)c3ccc(C(F)(F)F)cc23)cc1 1857562043 QQIXLNQFLKSJTN-UHFFFAOYSA-N 416.447 4.682 0 1 HJAF Cc1ccc(-c2ccc(C(=O)N[C@H](Cn3ccnc3)C(=O)c3ccccc3)cc2)cc1 1857577360 HWUVZRSHEJRRQK-XMMPIXPASA-N 409.489 4.540 0 1 HJAF CC(C)=CCc1c(OCC=C(C)CC[C@H](O)C(C)(C)O)ccc2ccc(=O)oc12 2356421369 HFVGVWQMPVMMDR-NRFANRHFSA-N 400.515 4.539 0 1 HJAF CC(=O)OCC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2C[C@@H](OC(C)=O)C(C)=CCC1 2356458297 KOCINJBLZIFNLK-QPXUXIHVSA-N 406.563 4.731 0 1 HJAF C[C@]12CCC[C@@H](CO)[C@H]1[C@@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@@]12C3 2356780874 GWDZFSLRNFJCLZ-FWSGRXLESA-N 410.554 4.796 0 1 HJAF COc1ccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)c(C)c1 82082753 GBZWOCZGMSEDOP-UHFFFAOYSA-N 404.470 4.713 0 3 HJAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2ccccc2c1 199715993 WFAUMYTYBAYSPT-JOCHJYFZSA-N 406.913 4.804 0 3 HJAF CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 2097720 JNZLFQBVNULBKB-SWLWOFJYSA-N 416.558 4.772 0 1 HJAF biogenic CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 14959740 FXQMOQVEXWRJHX-UHFFFAOYSA-N 409.961 4.946 0 1 HJAF O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 29125276 IZAPYUZPSRORRN-UHFFFAOYSA-N 422.956 4.597 0 1 HJAF CO[C@H](CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2ccccc21 34024385 JOHXYKCEQDZHOS-HSZRJFAPSA-N 413.565 4.627 0 1 HJAF C[C@H]1CN(C(=O)c2c(Oc3ccccc3)n(-c3ccccc3)c3ccccc23)CCN1 64526629 GSIZMJLYFZTHCQ-IBGZPJMESA-N 411.505 4.857 0 1 HJAF COc1ccc(CN[C@@H](CC(C)C)c2nc(C(C)C)c(N3CCOCC3)o2)cc1 72102395 LYNAVRCUPMJHBY-FQEVSTJZSA-N 401.551 4.520 0 1 HJAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141914 TXCJPBUEIIAJQA-JXFKEZNVSA-N 422.504 4.839 0 1 HJAF CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1-c1ccccc1C 88345910 SFUBQGSYRFAFQY-SFHVURJKSA-N 424.508 4.837 0 1 HJAF CCC1(CC)C[C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O 103202851 GKRYVZUPOJHWIG-HSZRJFAPSA-N 406.570 4.516 0 1 HJAF COc1ccc(Nc2ncnc3c2oc2cc(-c4ccc5c(c4)OCO5)cnc23)cc1 103244354 DROUVFVCGSNJQT-UHFFFAOYSA-N 412.405 4.919 0 1 HJAF O=C(O)Cc1ccc(-c2ccc(F)c3c2CN(C(=O)OCc2ccccc2)CC3)cc1 144261245 YMGNLWHHKRSKDZ-UHFFFAOYSA-N 419.452 4.815 0 1 HJAF COc1ccc(Oc2cccc([C@H]3NC(=S)N=C4c5ccccc5C(=O)[C@@H]43)c2)cc1 169726102 ZZEAHNXOTMHWFC-NHCUHLMSSA-N 414.486 4.719 0 1 HJAF CCN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1cc(C)cc(C)c1 205410789 NJDBGUADNKBQTL-DEOSSOPVSA-N 412.961 4.539 0 1 HJAF c1ccc(-c2csc3n[nH]c(N4CCC[C@H](COCCN5CCCC5)C4)c23)cc1 205819624 OHOPARNMSMAWHF-SFHVURJKSA-N 410.587 4.620 0 1 HJAF CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc(F)c1)CC(C)(C)CC3 206149941 DAAOIXZBUFXSNW-IBGZPJMESA-N 409.505 4.712 0 1 HJAF CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC1 299806712 MYXKPHUMITWZRM-CQOQZXRMSA-N 423.553 4.840 0 1 HJAF O=S(=O)(Cc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccccc1 586922047 PILTUFHRQQGVAO-UHFFFAOYSA-N 420.387 4.760 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](C(=O)O)(c1ccccc1)C3 586991048 QKMAEDWSZFENLI-MHZLTWQESA-N 421.452 4.663 0 1 HJAF N=C(N)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068390 UUKSMDSPCSKFNS-UHFFFAOYSA-N 402.845 4.613 0 1 HJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587114919 ZKNHOOJQUQJZJG-HNNXBMFYSA-N 403.448 4.760 0 1 HJAF C[C@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336603 UIKWBONSKQDPMS-NZQKXSOJSA-N 410.372 4.643 0 1 HJAF C[C@@]1(c2ccnn2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344663 XNORNKIUYJQUHQ-NOZRDPDXSA-N 414.436 4.991 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)O2 587386775 XGRBEUPRCZFHLH-RUZDIDTESA-N 418.468 4.914 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4cc(C(=O)O)ccc4F)cc1)[C@@H](C2)C3=O 587424914 XTUDIXSRYNUXPD-UQBPGWFLSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C(F)(F)F)nn(C)c1Cl)CC2=O 587464042 HEJXOSRDGHYEHL-KRWDZBQOSA-N 402.800 4.631 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2cc(O)cc(O)c21 587486674 MGQAQDQDDPALIF-DEOSSOPVSA-N 404.418 4.771 0 1 HJAF COc1ccc2c(c1)C(C)(C)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599221 DGNWPKBVHULUNO-SQJMNOBHSA-N 402.446 4.939 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc2cnc(Cl)nc12 587620125 XOUYAJHBPNGORE-DNVCBOLYSA-N 410.838 4.753 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc2cccc(O)c2n1 587656295 IZVBJVLVLXEBEO-UHFFFAOYSA-N 401.372 4.585 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587746303 MJMJMSMBYUSIOI-FIKIJFGZSA-N 414.322 4.655 0 1 HJAF Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)no1 587752591 SDBOFYYIYMEAHH-FVINQWEUSA-N 418.310 4.916 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cnccn2)N1 587774311 MFIYXKIVBRAICN-YUNKPMOVSA-N 414.278 4.794 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(OCC3CC3)c2)N1 587810531 UQLPDCIQAMWVBO-YBTHPKLGSA-N 406.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCc3ccccc3C2=O)N1 587823775 RODTUCMQHUYNKC-FFUDGTDTSA-N 402.307 4.783 0 1 HJAF Cc1cccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587826502 HOYZURGWGYOACQ-SZNDQCEHSA-N 420.322 4.929 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H]2CCOC2)(c2ccccc2)N1 587835293 PAPBUWWGYJDKGV-LRAJWGHMSA-N 404.323 4.793 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2 587835374 WCOSUWQKGMGDDD-ZBUHCNDUSA-N 420.322 4.934 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cccs2)N1 587851776 JMYHPFHABVYRTM-BLVKFPJESA-N 403.320 4.871 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3nc(Cl)sc3C2)N1 587857644 MGOGQBWFLDSNDX-BCTVWOGZSA-N 401.732 4.617 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1oc2ccccc2c1C 587868936 XIEDINDLCWTUBU-UHFFFAOYSA-N 401.344 4.716 0 1 HJAF Nc1nc2c(s1)CCC[C@@]21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817451 MZMOXTIBRMUCST-DEOSSOPVSA-N 416.550 4.511 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21CCCc2c[nH]cc21 963841205 JKYIFLOWNZXRJR-KOSHJBKYSA-N 410.514 4.540 0 1 HJAF CC1(C)C(=N)Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc21 1857585427 KFGMYCVKXBHDEV-UHFFFAOYSA-N 405.542 4.940 0 1 HJAF C[C@@H]1C=C[C@@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCn3cc4cc[nH]c4c3)c2)CC1 2356768475 OPQUROGRWPFTLL-ROMRWMGNSA-N 422.525 4.567 0 1 HJAF Clc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1 13610293 QCQSTOYKSWTFNN-UHFFFAOYSA-N 418.888 4.569 0 1 HJAF CCOC1(OCC)[C@@H]2c3cc(Br)ccc3[C@@H]([n+]3ccccc32)C1(C)C 27518409 FOPGQMONXJBMHW-RTBURBONSA-N 403.340 4.580 0 1 HJAF Cn1c(=O)c(-c2c(Cl)ccc(N)c2Cl)cc2cnc(Nc3ccccc3)nc21 28332574 XDSYTGCFMQOCEH-UHFFFAOYSA-N 412.280 4.628 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccn1 40414290 WIWLBMHDBRUWCG-UHFFFAOYSA-N 400.282 4.557 0 1 HJAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5cc[nH]c5c4)c3n2)CC1 40863923 FZMQNYVDSIKAGO-UHFFFAOYSA-N 411.431 4.549 0 1 HJAF CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1-c1ccccc1 45285922 JRZUDXSXEGLTQU-NRFANRHFSA-N 417.962 4.982 0 1 HJAF Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 73157355 HKZHOODVROCRCC-UHFFFAOYSA-N 423.394 4.872 0 1 HJAF O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95573752 YVHUHENKBGLDRJ-SFHVURJKSA-N 424.888 4.808 0 1 HJAF CCn1c(=O)n(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)c2ncccc21 95579170 UMUQLAFFUSCELE-UHFFFAOYSA-N 405.458 4.700 0 1 HJAF CCOC1(OCC)[C@H]2c3cc(Br)ccc3[C@@H]([n+]3ccccc32)C1(C)C 100714797 FOPGQMONXJBMHW-RBUKOAKNSA-N 403.340 4.580 0 1 HJAF Cc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4cccs4)CC3)CC2)c1 100832307 RSAQDZVYAIXCFK-OYRHEFFESA-N 411.615 4.557 0 1 HJAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 103995775 GHXBBSITLNDJGJ-OPAMFIHVSA-N 411.498 4.616 0 1 HJAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 105173588 UEFFNNPUQIERNK-GIUOSPMZSA-N 406.574 4.709 0 1 HJAF Cc1noc(C)c1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 143044001 XJUPWIIYOUIUBE-UHFFFAOYSA-N 406.877 4.645 0 1 HJAF CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1 169708801 NTHHXIKGFGHHJO-SEFLRBGSSA-N 414.269 4.729 0 1 HJAF CCOC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(NCc2ccncn2)c1 205354593 AEHLSOUPJJRYQF-UHFFFAOYSA-N 406.530 4.646 0 1 HJAF CCOc1cc(/C=C/c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OC 586977753 HSVNLDKQUKDPFH-VMPITWQZSA-N 403.276 4.912 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)nc2[nH]1 586997579 ZHFCJRRVYIBNRB-UHFFFAOYSA-N 411.097 4.797 0 1 HJAF CCOC(=O)/C(=C\N(C)C)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 586997673 VSZPOZXLAUVICY-ZHZULCJRSA-N 414.505 4.783 0 1 HJAF CCCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587340991 UXMRBAWFDCMJOB-WIOPSUGQSA-N 417.436 4.542 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2CCCNC2)[C@H]1c1ccc(F)cc1 587351251 ZRKUKMLJAOXKCV-YZXAJQSBSA-N 417.480 4.785 0 1 HJAF CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)CC(=O)c2cc(C)cc(N)c2O1 587382959 UQOWXDPWUCABLR-KRWDZBQOSA-N 405.378 4.593 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(F)cc41)[C@@H](C2)C3=O 587429829 XFYDLSOWXBEWOB-DFBJGRDBSA-N 400.405 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(P(=O)(OCC)OCC)cc1)CC2=O 587490767 YPGAEXUXICGOJV-OAQYLSRUSA-N 418.426 4.943 0 1 HJAF Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527987 VTDQUFSNESTLAU-VWLOTQADSA-N 401.462 4.809 0 1 HJAF CCCCC[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581783 MRSNVDPXNNFDNZ-URXFXBBRSA-N 406.482 4.872 0 1 HJAF CC[C@]1(c2ccc3c(c2)CCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605648 AKYUKTZUHWQJOP-RCZVLFRGSA-N 402.446 4.984 0 1 HJAF COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc(F)c13)/C(=C/Cl)N2 587633123 SNIVLUMJSUWKTB-RQZCQDPDSA-N 401.825 4.743 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC 587695808 SDWJMWJRJZZBLW-HUTHGQBESA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587707343 UFUQDOCKPZQHAK-XXFAHNHDSA-N 410.249 4.885 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cnn(C)c3)c2)N1 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416.477 4.695 0 1 HJAF COc1cccc(NC(=O)c2csc([C@@H](O)c3cccc(C(F)(F)F)c3)n2)c1 1857598951 OQJUNKBWAXDICE-INIZCTEOSA-N 408.401 4.505 0 1 HJAF CCCSc1nc(Sc2nncs2)c2[nH]c(=Nc3ccccc3)sc2n1 1857629837 RKLYPZKWWPTOIV-UHFFFAOYSA-N 418.598 4.757 0 1 HJAF O=C1OCCC12CCN(Cc1ccc(Oc3ccc(OC(F)(F)F)cc3)cc1)CC2 1857648160 LCLAWZLVYKVUHX-UHFFFAOYSA-N 421.415 4.907 0 1 HJAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356316350 ZLSJSAYWMLLLIL-XUVXKRRUSA-N 410.562 4.691 0 1 HJAF O[C@H]1CN2CCCCCCC=CCC3=C[C@H]4CN5CCCCC=CCC[C@@](C2)([C@@H]14)[C@@H]35 2356446850 HHMDHZQGNZVLBL-OFOQQJIRSA-N 410.646 4.937 0 1 HJAF CN[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 13757974 HYDGBLVZCVRPNL-HSZRJFAPSA-N 413.521 4.948 0 1 HJAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1cccc2ccccc12 26484130 AODZHARIGFCGAC-QHLVILHISA-N 420.512 4.837 0 1 HJAF S=C(N1CCC(c2cccc(Br)c2)=N1)N1CCCc2ccccc21 40863276 KNOXARICFRSNOT-UHFFFAOYSA-N 400.345 4.597 0 1 HJAF CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 64403838 NQXNMHAURUGWTL-FQEVSTJZSA-N 422.916 4.930 0 1 HJAF COc1cc(COc2ccc([C@H](O)C3CC3)cc2)ccc1OCCN1CCCCC1 66251927 NDTMFJSYVVHONF-RUZDIDTESA-N 411.542 4.582 0 1 HJAF Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C3=NC(=O)CS3)cc2c1 98085533 NXLXKAWLUJUKJA-IBGZPJMESA-N 420.925 4.977 0 1 HJAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 103539681 SIJKUMKLNLTFDX-FQEVSTJZSA-N 414.933 4.643 0 1 HJAF CC1(C)CCC(N2[C@H]3CCC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC1 143925558 KOCOLFJFOIBZDE-BWTSREIZSA-N 423.557 4.622 0 1 HJAF Fc1cnc(O[C@H]2C[C@H](Nc3nc4ccc(F)cc4s3)C2)c(C2CCOCC2)c1 146011122 WQOWYXXNGDDDAY-IYBDPMFKSA-N 417.481 4.885 0 1 HJAF Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCNCC2)cc1 147770138 SVBTVDBPLSHECO-UHFFFAOYSA-N 402.929 4.727 0 1 HJAF CC(C)(C)[C@@H](NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1nccs1 149229692 KIYWEZTWWYNULU-HNNXBMFYSA-N 413.465 4.874 0 1 HJAF COc1cc2c(cc1OC)[C@]1(c3ccccc3)CCCC[C@H]1[C@H]2NC(=O)C(F)(F)F 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Cn1cc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2n1 587343463 TXGOSSZCJSSLQK-ZJSXRUAMSA-N 402.425 4.692 0 1 HJAF O=C(O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352676 NGEDCUQYAOJAMD-UPVQGACJSA-N 406.409 4.651 0 1 HJAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360334 VADIUXAQLCKIRT-ILBGXUMGSA-N 418.420 4.712 0 1 HJAF COCC[C@]1(Cc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574016 XXQCYYFFGJDRGS-XUZZJYLKSA-N 408.425 4.511 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587610166 PIUWTRCXUWAQAL-YKSBVNFPSA-N 402.402 4.641 0 1 HJAF CCCCN(CCCC)c1ccc(-c2nn(C(C)=O)c(=O)c3ccccc23)c(O)c1 587660233 GJKOYMJASJDKRS-UHFFFAOYSA-N 407.514 4.836 0 1 HJAF CCN(CC)c1ccc(-c2nn(C(=O)CC3CCCC3)c(=O)c3ccccc23)c(O)c1 587667571 PADBLDPLCYFIOV-UHFFFAOYSA-N 419.525 4.836 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cn2)N1 587680008 GLQJLBCIEZQQQO-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)cc2F)N1 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CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](c1ccno1)(C2)C3 1857550060 PLQQJMFGNKDHGI-RBFDJJSBSA-N 414.933 4.748 0 1 HJAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(C(F)(F)F)cc3)[C@H](C)C2)c1 1857637907 OLXIOSRXCGIVKZ-MRXNPFEDSA-N 422.520 4.620 0 1 HJAF CC(=O)OC(C)(C)[C@H]1CC[C@@]2(C)C=C[C@@H](C)CC=C[C@@](C)(OC(C)=O)C[C@@H](O)[C@@H]12 2356692824 MAUKAMKPRJZLAR-MZKZSIKDSA-N 406.563 4.586 0 1 HJAF CC=C(C)[C@@H]1C(CO)=C[C@@H]2[C@H](O)[C@H](C)CC[C@H]2[C@]1(C)C=CC=CC=CC=CC(=O)O 2356730443 HQBUFDHCDKVRME-VAKSYJMHSA-N 412.570 4.840 0 1 HJAF COc1ccc([C@@H](N)c2csc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 61904777 BPHDXNFCZDCGAS-MRXNPFEDSA-N 422.432 4.863 0 3 HJAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)CCc1ccc(cc1)O2 5639676 BNZQLMXVMRJEMM-YFVAEKQCSA-N 423.509 4.741 0 1 HJAF biogenic CC(C)(C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O 13977145 DOSZIFWFKFJGQL-OAQYLSRUSA-N 423.406 4.508 0 1 HJAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCN(C)CC1 26283885 WDSZHJZTCDQVCL-MHZLTWQESA-N 415.499 4.940 0 1 HJAF COc1ccc2[nH]c(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc2c1 27525181 OQOLRTQSWDSTIV-UHFFFAOYSA-N 422.529 4.608 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 28712067 MFBUEIIMPQUOMJ-RRVPNGAVSA-N 407.485 4.751 0 1 HJAF Cc1oc(-c2ccccc2)nc1COc1ccc(CC[C@H]2SC(=O)NC2=O)cc1 29320379 FFVKZGIHQUNIFM-LJQANCHMSA-N 408.479 4.513 0 1 HJAF O=C(O)c1ccc(C2CCN(Cc3ccc4c(c3)Nc3nccnc3S4)CC2)cc1 38359498 JANSSIHIEVFGPV-UHFFFAOYSA-N 418.522 4.763 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCCC4)C[C@H](c4ccc(OC)cc4)C2[C@H](O)C3)cc1 40753275 RLOJIHUMKRBJCL-CAOORNBYSA-N 421.581 4.971 0 1 HJAF CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)c2c(C)cc(C)cc2C)OC1=O)CC 42888699 DTLWYWFBUKJHGF-VLPAPAIASA-N 402.531 4.589 0 1 HJAF CC(C)N(C(=O)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl)C(C)C 45299847 FVOZYOFOTVBWAW-UHFFFAOYSA-N 421.900 4.874 0 1 HJAF COc1cccc(-c2ccc(C(=O)Oc3ccc4c(c3)O[C@H](C(C)(C)O)C4)cc2)c1 72176512 FMQPLBJAVRZZGO-QHCPKHFHSA-N 404.462 4.656 0 1 HJAF O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H](c1ccccc1)C1CCCC1 84669537 BDECLCVAQQPYIA-ROXDYWFKSA-N 402.582 4.987 0 1 HJAF Cc1nc(C(F)(F)F)c(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)s1 96173831 YBLPVAIYSWQESY-KRWDZBQOSA-N 413.490 4.563 0 1 HJAF COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)s2)cc1 96927952 KVSYGXJLPJDFLW-UHFFFAOYSA-N 406.507 4.877 0 1 HJAF O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100101311 MZKJKWMJHWCATF-NUNAXRQHSA-N 405.448 4.604 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632464 ZJLWNINUSNAVBA-CXAGYDPISA-N 421.349 4.667 0 1 HJAF Clc1cccc([C@H]2CCN(c3nncc(-c4ccc(Br)cc4)n3)C2)c1 103226898 PZMDCHLFHVYJRI-HNNXBMFYSA-N 415.722 4.948 0 1 HJAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CCC(=O)O)s2)c1 142582097 PXLXELCMOXDDSY-UHFFFAOYSA-N 408.405 4.688 0 1 HJAF COc1ccccc1-c1cc(O)n2nc(C)c(-c3ccc(Br)cc3)c2n1 226851075 BLCONWQSJKDFDT-UHFFFAOYSA-N 410.271 4.848 0 1 HJAF C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1cnc[nH]1)C2=O 299839046 XCPAXKZWCUDCEI-CPJLOUKISA-N 423.557 4.654 0 1 HJAF Cc1ncc(-c2cc(F)c3nnc(C(F)(F)c4ccc5ncccc5c4)n3c2)s1 299862561 NKYMWVLKAPEFNR-UHFFFAOYSA-N 411.412 4.989 0 1 HJAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 586934864 BKPNRYIDXBHAHV-MRXNPFEDSA-N 416.305 4.684 0 1 HJAF Oc1nc(O)c2ccc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccccc3)nc2n1 587368067 AHUXEHVJLSAFRT-UHFFFAOYSA-N 416.824 4.677 0 1 HJAF CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450960 WLSMBZATGWPALT-MWTRTKDXSA-N 420.571 4.693 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3ccc(=O)oc3c1)CC2=O 587482196 CMIXFHAFEITCMI-JBEBIEQOSA-N 408.450 4.643 0 1 HJAF CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521391 BZWDQDHOQQVPAG-SANMLTNESA-N 416.521 4.776 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccnc1Cl 587552761 SJCJGHOMYCAVFP-KNQAVFIVSA-N 418.836 4.934 0 1 HJAF CCCOc1c(OC)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598430 URNGDDQNFJZQOR-YKSBVNFPSA-N 406.434 4.893 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587617881 LQJJPJWOKSCLCY-UGKGYDQZSA-N 418.474 4.959 0 1 HJAF CCOc1ccc(-c2nn(-c3ccc(C)nc3)c(=O)c3ccccc23)cc1OCC 587668353 AJKAQKBVFUUMIN-UHFFFAOYSA-N 401.466 4.554 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587770877 RSMMTGDRVMDRLC-JEOXALJRSA-N 401.279 4.585 0 1 HJAF COC(=O)CC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587803389 AEEZWFLIUPAVQH-SZNDQCEHSA-N 420.322 4.628 0 1 HJAF CCCCSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587848758 XSQMRJVEKOKOPF-GTNSWQLSSA-N 410.356 4.894 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 587870820 JEOBTDKFJAMQNE-UHFFFAOYSA-N 424.863 4.675 0 1 HJAF COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3nccs3)c2)cn1 653705325 NUFPUEHUEPQUBF-UHFFFAOYSA-N 410.377 4.756 0 1 HJAF COc1c(C)cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1C 963188247 VYTBEIOFZUWGKT-IRXDYDNUSA-N 413.823 4.673 0 1 HJAF Cc1cccc(CC[C@]2(C3CCC3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963226234 KVWMLIWXNGUUSA-AOYPEHQESA-N 400.522 4.770 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C=C(Nc2ccccc2N)CC(C)(C)C1 963609117 LUAGUBVLAIDPRW-LMKMVOKYSA-N 407.558 4.832 0 1 HJAF C[C@@H](NC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)c1ccc(F)c(F)c1 1772657489 YDJSOJBFTDYKOG-RBSFLKMASA-N 410.472 4.508 0 1 HJAF O=C(c1cccc(NC(=O)C2CC2)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1 1772657963 UWUGPNROWDYDDJ-ZRDIBKRKSA-N 408.461 4.708 0 1 HJAF CC1=CC[C@H](C(C)=Cc2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@@H](C)CCC1 2356726326 UYUFFQJDKXXQKP-STRKUORWSA-N 419.587 4.879 0 1 HJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@@H](CC5=CN[C](N)C=C5)CC5(CCCC5)C4)(C[C@H](N)[C@H]31)O2 2356825307 CYTUPJOICIBSAK-XXYHVIPKSA-N 424.653 4.910 0 1 HJAF CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)O)c2C3=O)c1 36388411 PQYZKOQADBVPLJ-UHFFFAOYSA-N 406.459 4.552 0 3 HJAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)sc2n1 753921 CCUNMOBWKQNNNC-HUUCEWRRSA-N 400.592 4.663 0 1 HJAF CCS(=O)(=O)Nc1ccc2nc(Cc3ccc(Oc4ccccc4)cc3)[nH]c2c1 13560447 KZVXQEUKNSZRGW-UHFFFAOYSA-N 407.495 4.708 0 1 HJAF Cc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 27653725 UHKYOMOXQPXMQY-KUIZBPSLSA-N 403.453 4.943 0 1 HJAF O=C(Nc1cccc2cccnc12)N1CCN(c2ccccc2C(F)(F)F)CC1 28107613 OOZNKPBRONWGPE-UHFFFAOYSA-N 400.404 4.608 0 1 HJAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4c(Cl)cncc4Cl)CC3)nc2c1 35984058 XZTHSBGBPKWPGO-UHFFFAOYSA-N 416.234 4.610 0 1 HJAF Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 40421601 GADRQTVODGOWDX-UHFFFAOYSA-N 421.859 4.871 0 1 HJAF CCOC(=O)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49808110 ZUKDWWFHOBJZEL-UHFFFAOYSA-N 412.338 4.833 0 1 HJAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(F)cc31)c1ccccc1CO2 100641902 MKRVEERIDPMFPQ-DJKKODMXSA-N 400.409 4.898 0 1 HJAF N=C(N)c1ccc(OCCCCCCCCCCOc2ccc(C(=N)N)cc2)cc1 100688537 MADWRMXDSAGCDJ-UHFFFAOYSA-N 410.562 4.833 0 1 HJAF [C-]#[N+]c1ccc2ncc(C(=O)c3ccc(C(=O)N(CC)C4CCCCC4)cc3)n2c1 145598956 LCPHQBYSMJYKTG-UHFFFAOYSA-N 400.482 4.911 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@@]4(C)[C@@H]3CC[C@]21C 169713460 HNCAMNUTTBOMFY-HVVYPDPHSA-N 402.623 4.725 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccncc3)cc2)n1 221129778 URTXZANJCQEJGV-OXJNMPFZSA-N 403.486 4.693 0 1 HJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586916454 ZKVCNIHQZVNOMJ-UHFFFAOYSA-N 410.332 4.653 0 1 HJAF CN1CCN(c2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)CC1 587052265 ZDBLCPHJKZZZJJ-CABCVRRESA-N 401.341 4.893 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(C3)C(=O)Nc2ccccc21 587106294 KUAAOJQPUWKGDF-MHZLTWQESA-N 402.453 4.825 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587331724 FHBGENHUVBCXOO-ZCYQVOJMSA-N 419.452 4.986 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCN(c3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1 587332085 IPMFQWJCAVKJIT-LADGPHEKSA-N 407.416 4.678 0 1 HJAF COc1cc2c(cc1F)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332169 JKRRSAVVONOGOO-VWNXMTODSA-N 408.400 4.880 0 1 HJAF COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1O 587353078 QEOCBYJSQJSWQI-NOZRDPDXSA-N 422.452 4.996 0 1 HJAF COC(=O)c1cccc(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 587442079 IHLMCDWJRQWWJG-QFQXNSOFSA-N 414.457 4.812 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1SC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587452885 QBXMUPZEOQAZBS-MFJZGFPYSA-N 424.518 4.561 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C(=O)OC(C)(C)C)c1C)CC2=O 587476274 RCMQEVJFSKMNKD-SFHVURJKSA-N 400.475 4.648 0 1 HJAF Cc1cc(C)n(C[C@]2(c3cccc(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587515048 IRAFYGZNFWFCRT-VWLOTQADSA-N 401.510 4.522 0 1 HJAF COc1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)nc2cc1OC 587526485 PTPLKPYCSLDMMH-FQEVSTJZSA-N 405.450 4.543 0 1 HJAF Cc1nc(C(F)(F)F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552692 BKCFHRWHDQXAEX-RXVVDRJESA-N 415.367 4.991 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2F)nc1 587567674 IRXYEKIYBZIJOS-NZQKXSOJSA-N 414.392 4.691 0 1 HJAF Cc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655689 FQUPEFQVEOESFN-OAHLLOKOSA-N 420.415 4.758 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3ccccc3oc2=O)N1 587704853 KQVLILTZVJHVQC-DYBLOJMWSA-N 422.681 4.972 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)F 587717969 MVAXGNJCQDFLDK-HUTHGQBESA-N 416.237 4.822 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2F)N1 587726456 IRTPMCDOGWPHFW-JEOXALJRSA-N 409.274 4.506 0 1 HJAF Cc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587740735 KHMKPPIADFOYFY-WWJMUUETSA-N 403.339 4.750 0 1 HJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587789108 BYZMQNGHORWMCE-DGIBIBHMSA-N 404.283 4.544 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc3c(c2)OCCO3)N1 587836086 RPROIRPESJIFNY-LRTDBIEQSA-N 420.322 4.742 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccncc3)s2)N1 587852612 HQRHYQMDGMBLGH-DYZYQPBXSA-N 404.308 4.730 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3sccn23)N1 587853551 AGZTUSHBSDLENN-MADCSZMMSA-N 400.704 4.574 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2c(C)cc(C)c(O)c2n1 587868044 FOCRZNATSLCAIC-UHFFFAOYSA-N 414.387 4.832 0 1 HJAF COc1cc2c(cc1OC)[C@](C)(C[C@@](O)(c1ccccc1)C(F)(F)F)N(C)[C@@H](C)C2 962576403 XCZWGXBLRBVQFU-UZQPLGKSSA-N 423.475 4.636 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1cccnc1)(c1ccc(F)c(C)c1)N(C)[C@H](C)C2 962625705 FNRXLMCYNXTLSP-NSYGIPOTSA-N 406.501 4.715 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@]3(CC[C@H](c4ccccc4)c4ccc(O)cc43)c3cccc1c32 963022420 JASJOVBUTCDSCB-VXNLTHLCSA-N 410.517 4.615 0 1 HJAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CC3CCCCC3)c2cn1)c1ccccc1 1772617359 MPIYVHBTOUMLKC-OAHLLOKOSA-N 420.517 4.750 0 1 HJAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(c2nc3ccc(Cl)nc3[nH]2)C1 1772617983 SWACRBVMHJMCAM-JTQLQIEISA-N 424.719 4.773 0 1 HJAF C[C@@H](CF)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(F)c12 1772620515 PUDCUARKHMDCIS-NSHDSACASA-N 424.448 4.748 0 1 HJAF NC(=S)c1cccc(-c2cn(CC(C(F)F)C(F)F)c3cc(CO)ccc23)c1 1857590216 IGJRBDIRYFEMPH-UHFFFAOYSA-N 410.436 4.581 0 1 HJAF C[C@@H](C(=O)NCc1ccccn1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857744392 JSZGBCFJTCDDGU-CQSZACIVSA-N 400.404 4.659 0 1 HJAF Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)c1c(nc3c(c1N)CCCC3)O2 1857752916 IKJPPZCSGGZBSM-INIZCTEOSA-N 411.303 4.623 0 1 HJAF Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C=CC(C)(C)O)O[C@H]3[C@@H]2[C@H](C)CC[C@H]2[C@@H]1C 2356557858 DWFVTYSPFRBHTG-PIQISPLPSA-N 410.510 4.887 0 1 HJAF CCC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 2356690512 AEHXVYOSNIAJOA-ITZYCCAYSA-N 402.487 4.709 0 1 HJAF COc1cc(-c2cnc3c(NC=O)cc(-c4ccc(C)cc4)cn23)cc(OC)c1OC 61903365 NEUVMISGSIICOG-UHFFFAOYSA-N 417.465 4.571 0 3 HJAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 773372 AKLUFDUHEWFIKR-PMACEKPBSA-N 424.472 4.580 0 1 HJAF Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)[C@H]1C(=O)CCCC1=N2 6506322 JJHNWPYOSRAXCV-MOPGFXCFSA-N 408.552 4.985 0 1 HJAF O=C1CCc2cc(NS(=O)(=O)C(F)(F)F)c(Sc3ccc(F)cc3F)cc21 13744790 SBRPEJRFRRXYSL-UHFFFAOYSA-N 423.384 4.506 0 1 HJAF CC(C)n1cnc2c(NCc3ccccc3)nc(CC[C@@](C)(O)c3ccccc3)nc21 13834604 YEOFIKDAODTCHK-RUZDIDTESA-N 415.541 4.860 0 1 HJAF CCOCCn1cc(C2CCN(CCOc3ccccc3C=O)CC2)c2ccccc21 28368495 JGNJLADRTSHTFC-UHFFFAOYSA-N 420.553 4.749 0 1 HJAF Fc1cccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)c1 29130735 DWWUEXDCDIBCKQ-UHFFFAOYSA-N 423.471 4.929 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N5CCCC5)CC[C@@]43C)[C@@H]1C[C@@H](n1ccnc1)[C@@H]2O 31872194 KRHIHQCEBCPCIT-SQLUACQTSA-N 409.618 4.822 0 1 HJAF COc1ccc([C@H]2c3c(nc(C)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC 38142905 TYQMUIWDZGIYJA-HXUWFJFHSA-N 400.434 4.535 0 1 HJAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C\C=C3C[C@@H](O)C(O)[C@H](O)C3)CCC[C@@]21C 40487317 CAGYDFRJDSWOLS-AUBYIKLJSA-N 420.634 4.509 0 1 HJAF CO[C@@H](Cc1ccc2oc(CCCc3nc(-c4ccccc4)oc3C)nc2c1)C(=O)O 72114136 ASCAHDNIANJJEX-NRFANRHFSA-N 420.465 4.609 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1 82221738 XQDSRPYDDGHZDD-IBGZPJMESA-N 419.554 4.779 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)C3=C(CN2C1)[C@@H]1C[C@H]2[C@@H](C[C@@H](O)[C@H]4C[C@H](O)CC[C@]24C)[C@@H]1CC3 85542442 OEJGVNMSFPGDPP-BDFZTFKFSA-N 413.646 4.627 0 1 HJAF biogenic,in-vitro O=C(C1CCC(C(F)(F)F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95579415 JQJRXUIKLIORNF-UHFFFAOYSA-N 413.827 4.685 0 1 HJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1 100703452 AVUJCJCBYWHRCI-QGZVFWFLSA-N 410.543 4.964 0 1 HJAF Cn1cc(-c2ccc(Nc3cc4[nH]c(-c5cnn(C)c5)cc4cn3)c(Cl)c2)cn1 103250498 KOHXXTKMZDFLND-UHFFFAOYSA-N 403.877 4.761 0 1 HJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1 104059914 DOWDDESRPBHXBA-SCDSTIRESA-N 405.296 4.712 0 1 HJAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccc(CN3CCCC3)cc1)[C@@H]2c1ccccc1 118617205 QRRXIQPVIZSLHQ-UKILVPOCSA-N 422.532 4.818 0 1 HJAF O=C(Nc1ccccc1)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 137995060 PIUOBBHKDQPBNO-UHFFFAOYSA-N 401.510 4.615 0 1 HJAF CCCC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2C)c(C)c1O 169351864 AAIOMRHKGUVZIS-UHFFFAOYSA-N 400.471 4.928 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)C1 299877674 HRMDLDPDLNKBOB-CADBVGFASA-N 410.562 4.870 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 586936374 LZDDSADWJYPXMI-SFHVURJKSA-N 417.600 4.633 0 1 HJAF O=C1C[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)c2c(Br)cccc2O1 587003501 LBKZJQWRKWVELY-MRVPVSSYSA-N 409.642 4.753 0 1 HJAF Cc1ccc2c(ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c32)n1 587004102 QQYKEMIWKWWPJD-GFCCVEGCSA-N 422.282 4.817 0 1 HJAF Fc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1Br 587005531 YKCVOMNLOWNYET-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094846 JMESSRDCAJEDBK-UHFFFAOYSA-N 408.323 4.671 0 1 HJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2c1 587145408 WCEQGCJFOCLYMK-UHFFFAOYSA-N 404.397 4.829 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587167370 RPJQWDQCLIUYQZ-MRXNPFEDSA-N 403.255 4.834 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@@H]32)[C@@H]1c1ccc(F)cc1 587372149 HSKCNNLSZZLIDY-IZZBFERCSA-N 402.512 4.640 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(Br)cc3)c1C)O2 587374539 YUDVAWLWKZVSKM-IBGZPJMESA-N 412.287 4.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C(C)C)C1)O2 587394870 JUYXBKLRDAVNBV-BWKNWUBXSA-N 422.525 4.738 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)O2 587396650 VBSAFMHMPLMGTC-QMHKHESXSA-N 402.535 4.871 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](CC=C(C)C)C(=O)c2ccccc21 587479300 HTNYLQXACBPXQX-BCHFMIIMSA-N 418.489 4.943 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(C(=O)O)cc21 587489581 NZNMIVLMHTUWEM-VWLOTQADSA-N 400.430 4.932 0 1 HJAF COc1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1O 587499849 PSPKYAFSSYFQAS-GOSISDBHSA-N 403.272 4.749 0 1 HJAF COC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587513142 HTRYJDOFPKTJTL-XMMPIXPASA-N 419.521 4.661 0 1 HJAF C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597538 ZDFDEBTVCNCAPP-ILHHTIIASA-N 422.477 4.648 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(F)cc3oc2=O)N1 587729822 HUGDJQRSZZPBAB-WVDJIFEKSA-N 420.253 4.631 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587831188 WJPRJKDFEGNZMY-LHSJRXKWSA-N 420.322 4.929 0 1 HJAF COc1ccc2c(c1)OCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587832001 ASKSLRORQOKMAM-YUNKPMOVSA-N 406.295 4.547 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc3c(c2)OCCO3)N1 587836640 WWEWNPNYAPTQDW-KZULUSFZSA-N 406.295 4.568 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1c(C)nn(Cc3ccccc3)c1C)N(C)[C@H](C)C2 962565619 IBKDHQVEEBAVRH-PUAOIOHZSA-N 405.542 4.531 0 1 HJAF COc1cc2c(cc1OC)[C@](C[C@@H](C)CC(=O)O)(c1ccc(C)cc1)N(C)[C@H](C)C2 962575013 VHCYIKQBPWTAJB-ATLLOTDBSA-N 411.542 4.633 0 1 HJAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2F)c2ccsc2CCN1Cc1ccco1 962702804 GXXYTCFGZWWNNX-OAQYLSRUSA-N 419.905 4.999 0 1 HJAF C[C@@]1(Cc2ccccc2Cl)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919501 KVHJYBZLWBWKLN-UPVQGACJSA-N 423.896 4.895 0 1 HJAF COc1ccccc1CC[C@]1(c2ccccc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963020294 FFXDNKVVPMFZFN-NFQMXDRXSA-N 412.533 4.625 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)CCCC(=O)c1ccnc(Cl)c1 963643175 ZIVJTCFWZVSUDK-JLCFBVMHSA-N 402.922 4.555 0 1 HJAF C[C@@H](NC(=O)N1C(=O)C[C@@H]1Sc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 1857539579 FXWWYLBLFPYVNL-KCJUWKMLSA-N 416.371 4.503 0 1 HJAF O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)[C@H]1CN2CCC1CC2 1857614350 DGWWXFCHEOPTQT-QFIPXVFZSA-N 400.469 4.635 0 1 HJAF C[C@H](N)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H](N(C)C)C4(C)C)C=C3CC[C@]12C 2356559496 FNCLBKRKCPCSJN-LWHWVANLSA-N 400.651 4.760 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24C=C[C@]2(C)[C@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 2356744803 JPZRLAKTKKZBOO-SPTGXSKESA-N 414.678 4.710 0 1 HJAF O=C1CN(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456387 FSHOZIQVEPFSAA-NRFANRHFSA-N 412.823 4.802 0 1 HJAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(O)cc3)nc21 3815520 XLLINEQPLUTYIF-UHFFFAOYSA-N 413.264 4.752 0 1 HJAF CCN1c2ncc(CSc3ccncc3)cc2C(=O)Nc2c(C)cc(Cl)nc21 13589470 JNNYBFVTFNQISB-UHFFFAOYSA-N 411.918 4.849 0 1 HJAF CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN[C@H](C)c1ccco1 15008621 BLRCGEUGPUWGSE-CQSZACIVSA-N 424.888 4.694 0 1 HJAF Cc1ccc(C(=O)c2ccc(O[C@@H](CCN(C)CC(=O)O)c3ccccc3)cc2)cc1 28265523 HNBKNDFZJLEZLZ-DEOSSOPVSA-N 417.505 4.753 0 1 HJAF in-vitro C[C@@H](Cc1ccccc1)CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1 28825969 QPEGNJQCCVYSFY-IBGZPJMESA-N 407.558 4.714 0 1 HJAF O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc2[nH]c(-c3ccccc3)nc2c1 34858146 HNPPDUVGJZBJRU-FQEVSTJZSA-N 403.507 4.586 0 1 HJAF COc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 35795214 DITBYCZXXJKQSP-OAHLLOKOSA-N 405.292 4.882 0 1 HJAF N[C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1 49032916 HVKMMDVZQKUXML-IBGZPJMESA-N 412.415 4.891 0 1 HJAF O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72142849 QLCGDDRWUOCRBA-UHFFFAOYSA-N 405.502 4.507 0 1 HJAF CCCCCc1cc(O)cc(OCCCCCCCCCCOC(CO)CO)c1 73196497 ZCNPXLYYLKFHFM-UHFFFAOYSA-N 410.595 4.994 0 1 HJAF CN(C)CCN(Cc1ccc(-c2cccc(CN)c2)cc1)C(=O)CCC1CCCC1 84703981 OCXSCGRLCDLPHD-UHFFFAOYSA-N 407.602 4.673 0 1 HJAF COc1cccc(-c2nc3c(oc4ccc(Br)cc43)c(=O)[nH]2)c1Cl 84727288 JBFFDNABQNAJAB-UHFFFAOYSA-N 405.635 4.761 0 1 HJAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cc(Cl)ccc3F)ccc1O2 95573358 WIRKEQRUHLXVOQ-QFIPXVFZSA-N 410.832 4.849 0 1 HJAF in-vitro CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H]1CO 95877354 AOGVVOBEEJESFH-NQHRYMMQSA-N 416.496 4.507 0 1 HJAF COc1cc2c(cc1OC)[C@@H](CCCCCOC(=O)c1ccc(F)cc1)N(C)CC2 96923156 ZPWZWAKYHYGBLT-OAQYLSRUSA-N 415.505 4.789 0 1 HJAF Cn1c2ccccc2c2nnc(SCCNc3ccnc4cc(Cl)ccc34)nc21 103225697 WOCFOKOZAUSLRN-UHFFFAOYSA-N 420.929 4.922 0 1 HJAF CCc1onc(-c2cccc(OC)c2)c1C(=O)N(C)c1ccc(C(F)(F)F)nc1 103297787 DSAASYWIPKIPEP-UHFFFAOYSA-N 405.376 4.603 0 1 HJAF CC(=O)OC/C1=C\C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2C[C@@H](OC(C)=O)/C(C)=C/CC1 140620099 KOCINJBLZIFNLK-JTGIECMMSA-N 406.563 4.731 0 1 HJAF FC1(F)Oc2cc3nc(COc4ccccc4C4SCCS4)[nH]c3cc2O1 587043421 ZLAGRPJAOBFMIT-UHFFFAOYSA-N 408.451 4.942 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(F)c(F)c3[nH]2)c1 587048571 KBDWSAAGQMSPLW-CMDGGOBGSA-N 418.831 4.885 0 1 HJAF CC[C@@H](Oc1ccccc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587061429 GORVCGDYFPXSSJ-OAHLLOKOSA-N 409.877 4.806 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)nc(C)cc4[nH]3)cc2)cc1F 587147207 GFOXGPFTDIYRIO-UHFFFAOYSA-N 402.473 4.721 0 1 HJAF Fc1cc(Br)cnc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587155758 RDGIODNOCUNWQN-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF COC(=O)c1ccnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159414 OXEIHOHEMDDZRK-SFHVURJKSA-N 411.820 4.705 0 1 HJAF Nc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc2n1 587253199 CROAXVHTBYGCTE-UHFFFAOYSA-N 423.192 5.021 0 1 HJAF COc1ccccc1C(=O)Nc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391124 SGZSAGSLCQGXON-RUZDIDTESA-N 416.477 4.719 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C4OCCO4)cc3)cc1)O2 587414578 WCJLIVBHGRGYLP-HSZRJFAPSA-N 401.462 4.996 0 1 HJAF COc1cc2c3c(c1)O[C@@](COCc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429002 QTXVTYULGFTUQX-OFVILXPXSA-N 404.437 4.694 0 1 HJAF CCOP(=O)(C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587448593 KAICADVNCOEYDK-XMSQKQJNSA-N 416.410 4.604 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)CC2=O 587461486 KIFWOYXCZMAIHV-QFIPXVFZSA-N 411.889 4.768 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587477207 WNAOHJVVNQXKOQ-IBGZPJMESA-N 403.519 4.716 0 1 HJAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12 587631970 NYXXIRGFZIBHPG-NSHDSACASA-N 410.873 4.862 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)no2)N1 587695715 JFHLTRPHNZXMQO-XXFAHNHDSA-N 422.685 4.915 0 1 HJAF CC[C@@]1(c2cc(C(=O)O)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587712903 ANJBDIFQADHICF-APBUJDDRSA-N 410.258 4.613 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(F)cc3oc2=O)N1 587734396 RFHBGYFGYGCMKP-CFMSYZGJSA-N 420.253 4.631 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCN(C)C)cc2)N1 587741530 OCXDSOCAOMOWKG-SZNDQCEHSA-N 421.354 4.542 0 1 HJAF CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587780055 XYKKQPVAORUVFS-BIBXISHDSA-N 419.294 4.869 0 1 HJAF COc1ccccc1-c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)on1 587795507 OYXLDEMLAZBGMP-GIPWTMENSA-N 417.278 4.875 0 1 HJAF Cc1ccc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839038 POURIDGWKGSZNO-JEOXALJRSA-N 402.263 4.627 0 1 HJAF CC(=O)Oc1ccccc1[C@@]1(c2c(C)cccc2C)NCCc2c1c(C(C)C)nn2C 962914222 DJEXSERDFXUBTO-SANMLTNESA-N 417.553 4.523 0 1 HJAF CC(C)c1nn(C)c2c1[C@@H](c1c[nH]c3ccc(OCc4ccccc4)cc13)NCC2 962914308 FAPXHGWFZHOLRF-RUZDIDTESA-N 400.526 4.839 0 1 HJAF c1ccc(/N=c2/c3c4c(ccc3cc3n2CCc2cc5c(cc2-3)OCO5)OCO4)cc1 1857595881 KSUJREBEWPQMJR-QPLCGJKRSA-N 410.429 4.554 0 1 HJAF C[C@@H]([C@@H]1[C@H](O)C[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CCCCN1 2356833168 IFAGKOAMVIWQMA-HERYZECVSA-N 401.635 4.531 0 1 HJAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)c1 773438 HNHJUBSOOZVJHN-PMACEKPBSA-N 424.472 4.580 0 1 HJAF O=C(CCCn1c(=S)[nH]c2c(sc3ccccc32)c1=O)NC1CCCCCC1 4793169 CYYOTXRPUPYTNB-UHFFFAOYSA-N 415.584 4.893 0 1 HJAF COc1ccc(-c2nc(CNC(=O)NC(C)C)sc2-c2ccc(OC)cc2)cc1 13735835 NYXXPZVQPYBCFY-UHFFFAOYSA-N 411.527 4.702 0 1 HJAF Cc1ccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]23C)cc1 26954515 FSHSFSWCXDGVQS-REYXBCNVSA-N 406.570 4.847 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 36153115 KFZWDYQMBIYWFQ-JZVUSVNDSA-N 402.623 4.769 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ncc(-c2ncccc2C(F)(F)F)cn1 38149575 FCWQEAGWGADNJZ-UHFFFAOYSA-N 412.293 4.829 0 1 HJAF CC[C@H](Nc1cc(C)nc2c(-c3cccc(OC)c3C)c(C)nn12)c1nc(C)no1 56898871 NZQAFTPOKINLRY-KRWDZBQOSA-N 406.490 4.585 0 1 HJAF in-man C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2C[C@@H]1CCCO1)c1ccccc1 82187657 JNHNUSZNNWVMLW-NQIIRXRSSA-N 413.525 4.888 0 1 HJAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc3cc[nH]c3cc2C1 96923974 OSLJBLWZZFAUQZ-AREMUKBSSA-N 416.613 4.559 0 1 HJAF C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 197970801 UCPOISXDWSVEGI-MPABUZDESA-N 422.488 4.954 0 1 HJAF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 209121403 LYDMMXDXJXSJOZ-HRAATJIYSA-N 416.949 4.984 0 1 HJAF C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccco1)C(=O)Nc1cn(C)c(=O)c2ccccc12 299872709 QIODCLMIVCXOSX-HYFFOGBASA-N 407.514 4.990 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c3c2)cc1 587117361 IYCOCQQZPOVEFZ-UHFFFAOYSA-N 416.359 4.561 0 1 HJAF Cc1cncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587153629 VXYSDEQTZZOAPF-UHFFFAOYSA-N 416.485 4.945 0 1 HJAF Fc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2c(F)c1F 587184174 PGYZOAAQMQNERM-SNAWJCMRSA-N 400.141 4.755 0 1 HJAF C[C@@]1(c2nc3ccc(F)cc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334354 MBYRCAFPSPICIC-NZQKXSOJSA-N 406.388 4.821 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)O2 587383348 SETPWCCZOMMSGI-VLIAUNLRSA-N 404.432 4.846 0 1 HJAF C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554078 GVLFGGZTXLEVLE-ASSNKEHSSA-N 422.305 4.965 0 1 HJAF CCOC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]c2cccc(F)c12 587637271 ZFADFIHGOIZBBC-UHFFFAOYSA-N 424.472 5.000 0 1 HJAF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12 587638403 KPTHCFROAVLZTH-UHFFFAOYSA-N 406.221 4.586 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)ccc2F)N1 587729626 WGXVHJFNUIJBNG-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF Cc1ccc([C@]2(c3occc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587748854 ZAPQGSOIKBOPPN-ASSNKEHSSA-N 415.306 4.898 0 1 HJAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756462 LFWQHDSRLKBSFX-LAJNKCICSA-N 417.322 4.973 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2[nH]c2cc(N)ccc32)N1 587802564 MYZSLEYGULPUCS-MQJDWESPSA-N 414.322 4.766 0 1 HJAF CC(=O)OCc1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587846501 HYJWWZTUYQXZLO-XTZNXHDOSA-N 412.324 4.511 0 1 HJAF Nc1nc(-c2cccc(NC(=O)Cc3ccccc3)c2)cn2cc(-c3ccccc3)nc12 1772637361 PRGRTYLNTLKCEI-UHFFFAOYSA-N 419.488 4.827 0 1 HJAF COc1ccc([C@](C)(O)c2nc(-c3ccsc3C(C)=O)nc3ccccc23)cc1 1911576261 GXOTWAKDUBJQRF-QHCPKHFHSA-N 404.491 4.825 0 1 HJAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356314157 NGPOJZSMISXPJG-NSHGMRRFSA-N 411.521 4.799 0 1 HJAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 2356384526 UEVLBOFOSJDJHO-TZRRMPRUSA-N 408.586 4.826 0 1 HJAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](NC(C)=O)c3ccccc3)n2)c1 61895831 GCYRVLMSCICCMJ-OAQYLSRUSA-N 407.539 4.518 0 3 HJAF CCOC(=O)c1cc2cc(OC)ccc2n1C1CCN(CCc2ccccc2)CC1 95570633 SHJUWRDKZRHRIZ-UHFFFAOYSA-N 406.526 4.706 0 3 HJAF CCCC(=O)c1cnc2c(OCCOCCO)cccc2c1Nc1ccccc1C 1554415 FZRVPLPHICBESI-UHFFFAOYSA-N 408.498 4.657 0 1 HJAF CCc1cccc2c(/C=C(/C(=O)NCc3ccccn3)c3nc4ccccc4[nH]3)c[nH]c12 7718735 IWVSUVSHGLPZSK-KGENOOAVSA-N 421.504 4.859 0 1 HJAF CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]ccc3c2C1 13741748 GMWZSACWHHMURD-FQEVSTJZSA-N 423.601 4.693 0 1 HJAF COc1ccc2c(c1)C1=N[C@@H](CC(C)=O)[C@@H](CC(C)=O)c3c([nH]c4ccccc34)C1=N2 14515677 RQZOWBVRFRUUKC-UTKZUKDTSA-N 413.477 4.524 0 1 HJAF biogenic O=S(=O)(c1ccc2nc(NCc3ccccc3Cl)ccc2c1)N1CCCCC1 21881898 PAEAYMRQOFZDRQ-UHFFFAOYSA-N 415.946 4.675 0 1 HJAF aggregator CCCCCC12CCC(CC1)[C@@H](c1cc(=O)c3cc(OS(N)(=O)=O)ccc3o1)C2 27556221 ALTMPIJEWHSPFQ-TUAABQIMSA-N 419.543 4.620 0 1 HJAF OCCCN1CCN([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 28087265 DFXIUCBFFHVYGQ-KNQAVFIVSA-N 405.369 4.570 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2SC(=O)NC2=O)cc1 29322814 HKNPDCJATRTXND-FQEVSTJZSA-N 422.506 4.556 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12 34802884 OGRRJDUWYPGXDZ-UFQKVUOLSA-N 421.512 4.876 0 1 HJAF Fc1cc(Cl)ccc1[C@H](NC1CCN(c2nccs2)CC1)c1cccnc1 72185309 HFZPTDWVLMAQJM-LJQANCHMSA-N 402.926 4.679 0 1 HJAF O[C@@H](c1ccc(Oc2ccccc2)cc1)c1nnc(Nc2ccc3c(c2)OCO3)s1 82078289 LMIZDMIANDNVPE-FQEVSTJZSA-N 419.462 4.884 0 1 HJAF COc1ccc(OC)c(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)c1 82160741 JLNIVEUYMZMUGN-UHFFFAOYSA-N 405.376 4.672 0 1 HJAF CC(C)Cc1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCc1ccccn1 82181831 GMYITFZITZTRTR-UHFFFAOYSA-N 420.948 4.928 0 1 HJAF CC(C)(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82184739 CPHPNZFVXCYIOK-UHFFFAOYSA-N 424.568 4.652 0 1 HJAF O=C(CCCNc1nc(-c2ccc(Cl)s2)cs1)NCCOc1ccccc1 82195943 FLKKMGVEWKAEOF-UHFFFAOYSA-N 421.975 4.912 0 1 HJAF O=c1c(CN(CCO)c2ccccc2)coc2cccc(OCC3CCCCC3)c12 95560807 MFYXTOVZWFWRJU-UHFFFAOYSA-N 407.510 4.751 0 1 HJAF CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(CNCC(C)(C)C)cc2C1 96174220 HTQPYYYXGSKTLL-XMMPIXPASA-N 420.597 4.851 0 1 HJAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccc(C)cc3)cc2)cc(OC)c1 100108514 RECJSIILAGWOGU-UQWUFBTJSA-N 414.549 4.619 0 1 HJAF CC1=Nc2nc(SCC(C)C)nc(O)c2[C@@H](c2cccnc2)/C1=C(\O)OC(C)C 103631266 PGDGHYKMSSVRDU-WLVMFVESSA-N 414.531 4.758 0 1 HJAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccoc3)CC2)cc1)N1Cc2ccccc2C1 166480906 KEGQBHWEOTVBLK-UHFFFAOYSA-N 413.477 4.757 0 1 HJAF CC[C@H](C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166764202 XGVWCCNBRSODBC-SFHVURJKSA-N 403.526 4.896 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccc(C)cc3)[C@H](O)c3ccccc3)CC2)cc1 169325001 DIJPVVPSPYYUBP-RRPNLBNLSA-N 416.565 4.596 0 1 HJAF COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)cc1 169351387 HYCIAIWOKJRLRN-UHFFFAOYSA-N 414.498 4.954 0 1 HJAF COc1ccc2cc1OCCC=CCN(C)Cc1cccc(c1)Nc1nccc-2n1 254119862 LMHRITSLHYFYAE-UHFFFAOYSA-N 402.498 4.666 0 1 HJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586915205 IFOMDMTXJUDTIS-UHFFFAOYSA-N 402.303 4.888 0 1 HJAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586963305 ZQHJBGZPYXWJEA-RXMQYKEDSA-N 423.342 4.532 0 1 HJAF COc1cncc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587019969 VELRQHLOXVOGLZ-UHFFFAOYSA-N 407.318 4.505 0 1 HJAF FC(F)(F)COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccn1 587091320 IFRQJGJCDRWAFW-UHFFFAOYSA-N 406.589 4.982 0 1 HJAF O=C(Nc1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1)c1ccc(F)cc1 587162890 KOEBYPLEEBGHHC-UHFFFAOYSA-N 411.339 4.943 0 1 HJAF Fc1ccc(I)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587183126 UQDXKHANGXXNOR-UHFFFAOYSA-N 410.083 4.530 0 1 HJAF CC(=O)NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC(C)CC1 587234104 FXPSTXSFVLAPBO-UHFFFAOYSA-N 418.257 4.886 0 1 HJAF CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)c1c(CO)oc2cc(Br)cnc12 587273204 IYFQEHOWVFCFQO-OAHLLOKOSA-N 418.287 4.740 0 1 HJAF COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587394489 WFEIPFZUGMAISM-OAQYLSRUSA-N 413.477 4.915 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(Cl)n1)[C@@H](C2)C3=O 587421957 ONXPFOMXOIOEFB-KSFYIVLOSA-N 407.853 4.811 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C1CCC1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471906 WVUBCMGUGLAPFP-FATZIPQQSA-N 403.519 4.762 0 1 HJAF CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508609 WNGOOVBBZKJTRJ-JOCHJYFZSA-N 402.849 4.782 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cccc1Br 587540883 RRKKUZQVYDFTIH-XLIONFOSSA-N 413.223 4.563 0 1 HJAF COc1cc2c(cc1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554930 YMBXTENDDHPLCK-NFBKMPQASA-N 408.837 4.858 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(C(F)(F)F)N1 587711066 VRDJRIZYCCUAEO-JDNHERCYSA-N 403.217 4.511 0 1 HJAF CC[C@]1(c2cc(F)c(O)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587716209 DLZTUTUUHPVOFA-NIVTXAMTSA-N 400.238 4.760 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@]2(c3cccc(F)c3)CCOC2)N1 587735633 YHWFQTOHZNPRSP-OITMNORJSA-N 408.286 4.661 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1-c1cccnc1 587751823 AXYFPXDONXKUAE-YUNKPMOVSA-N 400.295 4.706 0 1 HJAF CCOC(OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789838 DPNRCCQJQQHSAW-SZNDQCEHSA-N 422.338 4.765 0 1 HJAF COCc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587802449 SBQPCNQJHSYUCU-FKIZINRSSA-N 408.311 4.541 0 1 HJAF CCCCC[C@]1(c2ccc(N)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638804 NPRBTEUTCNQWBJ-TZIWHRDSSA-N 422.447 4.590 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](C)([C@@H](C)N1CCCc2cc(C)ccc21)NCC3 963027841 AKSDSLMWHDJWPM-WXTAPIANSA-N 401.554 4.754 0 1 HJAF FC(F)(F)c1ccnc(Nc2ccc(N3CCOCC3)c(-c3ccccc3)c2)n1 1772613913 JDHOIODVEBKRPT-UHFFFAOYSA-N 400.404 4.743 0 1 HJAF COc1ccc2c(c1Br)CC[C@H]1[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]21 1857547611 PVUXKNGTECUGPR-JVPBZIDWSA-N 419.315 4.927 0 1 HJAF COCOc1cccc(C[C@H]2Cc3cccc(OCCc4ccccc4)c3C2=O)c1 1857630684 UVQDUGHEARGOIN-QFIPXVFZSA-N 402.490 4.889 0 1 HJAF CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 2356380974 XFTFIFNAWKMLKL-CZUQGKAOSA-N 422.949 4.753 0 1 HJAF CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)Nc1cccc2ccccc12 8635996 ZCXRLSAKPOBVRF-ICSRJNTNSA-N 401.510 4.752 0 1 HJAF biogenic O=c1cc(C2CCCCC2)oc2ccc(OCCCCCN3CCC(O)CC3)cc12 12356334 DHWCLSSOUOPVES-UHFFFAOYSA-N 413.558 4.847 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]21C 26399195 HNCAMNUTTBOMFY-IWBJTSIOSA-N 402.623 4.725 0 1 HJAF Cc1cccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)c1 26638934 XEGNVAZBTXEYFA-UHFFFAOYSA-N 413.318 4.583 0 1 HJAF CO[C@@H](C)C(=O)N(c1ccccc1Cl)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26734545 GXUBZESBVOAOLU-CNNODRBYSA-N 414.977 4.661 0 1 HJAF C[C@@]12CCC(=O)c3nn(Cc4ccccc4)c(c31)C[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]12 27331089 KGFRQVJXQKRIGD-CNAKYOPWSA-N 402.538 4.733 0 1 HJAF CC[C@H](C)c1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 28524901 HXHFIGOJEFETFR-KRWDZBQOSA-N 423.520 4.976 0 1 HJAF Fc1ccc(C[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28767812 LUVXYVCJJHKMGL-PXNSSMCTSA-N 407.272 4.840 0 1 HJAF NNc1cc(-c2c(-c3ccc(F)cc3)nn3c(NC4CCCC4)cccc23)ccn1 28890252 CDFZKTOECHOGJW-UHFFFAOYSA-N 402.477 4.843 0 1 HJAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(Oc4ccccc4)ccc32)c1 40411455 HFZDGFSMMHRITH-HSZRJFAPSA-N 415.445 4.864 0 1 HJAF C[C@H]1CN(c2nc3nc4ccccc4nc3s2)N=C1c1cccc(Br)c1 40556673 XFJMSARGHZITIG-NSHDSACASA-N 424.327 4.862 0 1 HJAF CCCCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1 40952026 YJVCGXRAFBTMDS-UHFFFAOYSA-N 409.567 4.569 0 1 HJAF CC(C)=CCc1cc(C(=O)[C@H](O)Cc2ccc(O)cc2)c(O)c(CC=C(C)C)c1O 43076533 VMDPAFNBQPVUSZ-JOCHJYFZSA-N 410.510 4.607 0 1 HJAF biogenic Cc1nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)n([C@H](C)C2CC2)n1 49112374 ALYLZBHAZKKANS-SSDOTTSWSA-N 407.223 4.987 0 1 HJAF CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(OC)c(OC)c2)cs1 82197852 ZGGXJCLDDKOXRU-HNNXBMFYSA-N 405.564 4.572 0 1 HJAF COc1ccc(-n2nc(C(=O)Oc3ccc(C)cc3)cc2-c2ccc(Cl)cc2)nn1 96928779 RFDHSCUWYDENQZ-UHFFFAOYSA-N 420.856 4.519 0 1 HJAF COc1ccc([C@@H]2CC3=Nc4ccc(Cl)cc4S(=O)(=O)C3=C(O)C2)cc1OC 100796318 UBNCGPVOHZKOBV-GFCCVEGCSA-N 419.886 4.564 0 1 HJAF COc1cc(O)c(C(=O)NCCc2ccc(O)cc2)cc1C12CC3CC(CC(C3)C1)C2 103235209 HFSUQKBSCRUCDZ-UHFFFAOYSA-N 421.537 4.547 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)C 140506464 OKHREEBDBYKLKA-MRSZEOLGSA-N 404.547 4.602 0 1 HJAF Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 141696639 WZHKQWSHHGMARO-CQSZACIVSA-N 421.551 4.656 0 1 HJAF COc1c(F)cccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 143208419 XLENMSSHHOXWHN-UHFFFAOYSA-N 422.334 4.586 0 1 HJAF CC[C@H](C)CN1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167046340 CWCZFZVDHOANDM-SFHVURJKSA-N 408.546 4.519 0 1 HJAF CCn1c(O)c2n(c1=O)[C@@H](c1ccc(Cl)cc1Cl)c1[nH]c3ccccc3c1C2 169724423 SDUQIRJPZKDQNS-IBGZPJMESA-N 414.292 4.705 0 1 HJAF Oc1cccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 586897255 WYGPEDPDGQSBIC-UHFFFAOYSA-N 401.182 4.715 0 1 HJAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 587014688 OPIIHSAAJLDAAW-ZETCQYMHSA-N 401.717 4.903 0 1 HJAF Clc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c(Cl)n1 587018582 IOSPSXQKLQGZSB-UHFFFAOYSA-N 419.293 4.750 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(C)c2[nH]1 587064501 BIALXKLOBRODFS-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1 587160575 DLBNMGPNIJIKGG-VHSXEESVSA-N 411.072 4.893 0 1 HJAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587197941 BRKXSMUJXMEREB-UHFFFAOYSA-N 412.280 4.791 0 1 HJAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350520 GVQKTAUADKVMDX-HYBUGGRVSA-N 422.408 4.722 0 1 HJAF COC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587351995 NRVCKKFYBWCZMA-URXFXBBRSA-N 406.409 4.592 0 1 HJAF COc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436042 MPTXCMUHOMUZMN-IQGLISFBSA-N 412.445 4.507 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1cc(F)cc(F)c1)(c1cccnc1N)CC2=O 587466242 JVGRKNSSRPZLFZ-QHCPKHFHSA-N 410.420 4.509 0 1 HJAF CCOC(=O)CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520567 FLSZAZFZIYPXLJ-VWLOTQADSA-N 408.494 4.778 0 1 HJAF O=C(O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587529922 SEVIIWAVFCZDNW-HHHXNRCGSA-N 424.452 4.717 0 1 HJAF CCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 587585299 CZFQXXYRVMLHQB-NZQKXSOJSA-N 414.417 4.708 0 1 HJAF C[C@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592657 IHKJRMLHIKWCJG-WIOPSUGQSA-N 401.462 4.869 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587727336 ODLQQLCKPZVJQC-NZFNHWASSA-N 412.665 4.832 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1 587735625 YGYZLRPSEUCKGD-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF Cc1ccc([C@@]2(c3ncccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587773496 JEUKSLZXXIQSAK-LHSJRXKWSA-N 412.306 4.513 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587794481 VGDMEEQLCYSWQI-SBKAZYGRSA-N 423.326 4.673 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798499 OOTAKLCCZYQPLT-SPKLELGKSA-N 400.332 4.563 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587800087 ZWLCIWSHLUAEFO-YUNKPMOVSA-N 400.295 4.910 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccccc2C(=O)O)N1 587849117 ZXKVNMSMSDPFFB-JEOXALJRSA-N 424.335 4.828 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccncc3)nc(Cl)c2C)s1 653782783 ZWNVQEUYBPXKNJ-HOTGVXAUSA-N 415.950 4.701 0 1 HJAF Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963099559 ICRRNNIJUMIASV-AUSIDOKSSA-N 414.484 4.659 0 1 HJAF N=[S@](=O)(O)c1ccc(N=c2nc3[nH]oc(-c4ccc(Cl)cc4)c-3s2)cc1 1772597404 IZKPTTWKMMQGRY-UHFFFAOYSA-N 406.876 4.600 0 1 HJAF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccccc2)cc1 767250 JZPZAPJEYMDMLG-NOZRDPDXSA-N 414.505 4.536 0 1 HJAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NCCC(C)C)cc1 776920 XIJVEHMMPPHANX-UHFFFAOYSA-N 424.497 4.810 0 1 HJAF CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccccc1Cl 1860096 LLGWZMDRBOYEMS-UHFFFAOYSA-N 406.920 4.764 0 1 HJAF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1 4051413 MTLJQVXKVYFBHK-GMAHTHKFSA-N 402.494 4.985 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)[C@@H]3CCCC(C)(C)C3=CC[C@@]12C 14409094 SNAPRBPUTMWLTO-DBHCYMIESA-N 420.590 4.669 0 1 HJAF biogenic O=C(O)CCC/C=C\C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 27556738 XBEXHWPCLKUYDD-BJYMLMSUSA-N 400.490 4.761 0 1 HJAF O=C(O)[C@H]1CCCN(CCO[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 38153736 FVNOEKJSWVNJPE-FXAWDEMLSA-N 408.325 4.896 0 1 HJAF Cc1ccc(-c2cn(CC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)nn2)cc1 66251439 GLPZZBHMECQROP-UHFFFAOYSA-N 421.456 4.910 0 1 HJAF CCCC[C@H](CC)CNc1nc(NC[C@H]2CCCO2)c2cc(OC)c(OC)cc2n1 82125055 PBKCJLOIPWOECE-DLBZAZTESA-N 416.566 4.866 0 1 HJAF COc1cc2nc(Nc3ccc([C@@H](C)NC(C)=O)cc3)ncc2cc1-c1ccncc1 95589205 SPSZPMDJMNJFLD-OAHLLOKOSA-N 413.481 4.641 0 1 HJAF CC(C)(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 141985849 FIYSRWMQFCJCGA-NRFANRHFSA-N 402.466 4.883 0 1 HJAF CCCCCCCCS(=O)(=O)Nc1cc(-c2ccc(O)cc2)ccc1C(=O)O 143795537 XVMMJAZEZUWBEF-UHFFFAOYSA-N 405.516 4.860 0 1 HJAF CCCC[C@]1(CC)CS(=O)(=O)c2cc(C)c(OC)cc2[C@@H](c2ccccc2)N1 147766399 IPWYFVPPJJWMNS-DHIUTWEWSA-N 401.572 4.809 0 1 HJAF O=C(c1cnccc1Oc1cccc2[nH]ccc12)N1CCN(C2CC2)c2ccccc21 169349699 HHDLXTVOLZUNEX-UHFFFAOYSA-N 410.477 4.984 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713969 WTMPZTOIYURJBE-WNVKFLJJSA-N 402.623 4.867 0 1 HJAF COc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C)CC2)cc1 201539103 YKEQYGCZHBKAMV-UHFFFAOYSA-N 410.539 4.621 0 1 HJAF CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 220658234 BWKSEIHXZRSETR-VOQZNFBZSA-N 409.507 4.836 0 1 HJAF COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1OCC=C(C)C 238764016 VPSRGTGHZKLTBU-QKFIJCJASA-N 424.493 4.844 0 1 HJAF CC1=C(c2ccc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3c2)NNC(=O)C1 586896173 JGIHYODWVHICRG-UHFFFAOYSA-N 404.514 4.938 0 1 HJAF Cc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 586989123 XVCAZPYEEZGAHO-UHFFFAOYSA-N 408.457 4.950 0 1 HJAF Fc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c(F)c1F 587001331 NMIUKUFETTZJQL-OWOJBTEDSA-N 411.177 4.684 0 1 HJAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(I)ccc3[nH]2)n1 587078970 DWGFQUUADGSANX-QMMMGPOBSA-N 400.651 4.655 0 1 HJAF O=C(CSCc1nc2c(Cl)ccnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113783 LHTRMBMFNHXNEN-UHFFFAOYSA-N 400.813 4.502 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc12 587154489 QGGQPZHPMUQUJT-UHFFFAOYSA-N 416.865 4.527 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587229094 NTKRWXIIPQKANX-UHFFFAOYSA-N 401.514 4.756 0 1 HJAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(O)c1 587241330 ZEFRFEQJMGFPOU-UHFFFAOYSA-N 406.873 4.782 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587327228 FWFMYMQYCIHVDR-UGKGYDQZSA-N 412.800 4.524 0 1 HJAF CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398333 DYMNXFWIENPIEF-CPJSRVTESA-N 409.526 4.847 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587418317 ABFUNPKRPVGZQT-FDDCHVKYSA-N 408.885 4.699 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1CCCOCCOC)CC2=O 587478410 GAKHLSRAGDXYIG-RUZDIDTESA-N 412.526 4.821 0 1 HJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)cc1Br 587501973 ZMRVUEHQGKFPPQ-GOSISDBHSA-N 403.272 4.749 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1cccnc1)Oc1cc(O)ccc12 587514270 IBYBCGDKFRAYGD-GXIJPSQLSA-N 411.457 4.960 0 1 HJAF Cc1cc(Br)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549853 YOAVOBWIVYZXNY-PXNSSMCTSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)no1 587586497 KHNXDDCZLRPYAY-ZJSXRUAMSA-N 415.401 4.662 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2N1CCCCCC1 587597606 VVFGFBLGNDHTQU-OTNCWRBYSA-N 407.510 4.911 0 1 HJAF CCOP(=O)(C[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC 587608732 SMKPUFNYOZWWTM-GHTZIAJQSA-N 420.398 4.769 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587617879 LQJJPJWOKSCLCY-KNQAVFIVSA-N 418.474 4.959 0 1 HJAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Br)cc1 587628995 XRGFUFZVWFENRB-UHFFFAOYSA-N 410.626 4.741 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(F)(F)F)(c2ccccc2)N1 587716763 DURLJQLQGKRHRX-GTNSWQLSSA-N 418.228 4.902 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(F)c(F)c2F)N1 587722137 RDSWRHDPOFXNJY-GJEGPGMTSA-N 406.192 4.942 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCCCC2)N1 587769168 XOLBSZYPDFBGSY-BFUOFWGJSA-N 404.327 4.597 0 1 HJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587788035 ZCXXOCKKTRYUJO-NEPJUHHUSA-N 411.330 4.556 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587807584 XMRXYPDIPTYZQZ-SBKAZYGRSA-N 417.278 4.565 0 1 HJAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2 587834194 QVCQRMCOLQBRLG-NLQQUQSOSA-N 406.295 4.544 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(CCCC[C@@H]2c2ccc(Br)cc2)N1 962896059 ITLHBIFXDQTIJX-SLYNCCJLSA-N 418.306 4.740 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]31C(=O)c2ccccc2O[C@@H]1c1ccccc1 963071102 VYJSRAOFWCCFOU-SXOMAYOGSA-N 422.484 4.601 0 1 HJAF C[C@]1(CSc2nncs2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833875 YKQGAWFQVOAFQH-JOCHJYFZSA-N 422.579 4.752 0 1 HJAF O=S1(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C(F)F)c2[C@H](O)C1(F)F 1857636452 FPHUPMAOUFPYAY-ZDUSSCGKSA-N 414.735 4.623 0 1 HJAF O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)c1ccc(F)cc1 1857654368 MIWCFIIWSBEMAM-JOCHJYFZSA-N 412.823 4.714 0 1 HJAF O=c1oc2ccccc2cc1[C@@H](c1cccs1)c1c(O)c2ccccc2oc1=O 1857746131 XGPUSRRUQGURND-IBGZPJMESA-N 402.427 4.847 0 1 HJAF CCN(CC)c1cc(C)c2cc(NC(=O)c3cc(=O)c4ccccc4o3)ccc2n1 4757319 ZSGDWYYVYLMWQR-UHFFFAOYSA-N 401.466 4.748 0 1 HJAF COc1ccc([C@@H]2[C@@H](CC[C@@H](O)c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 28091980 IDHKEJBQHHXKJD-UBFVSLLYSA-N 417.505 4.922 0 1 HJAF Cc1ccccc1NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 36189155 UGSQUXYEAXCLHB-FVFYKSAUSA-N 406.570 4.847 0 1 HJAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NS(C)(=O)=O)cc2)cc1 38149549 OYCQUYAYRQQCMV-UHFFFAOYSA-N 423.538 4.670 0 1 HJAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 38253539 NAILHUFRTWZJDC-MYMCCPEBSA-N 413.650 4.861 0 1 HJAF COc1ccc(Cn2cnc3c(/C=C4\OCc5ccccc54)nc(Cl)nc32)cc1 45354216 UMBRPSUIMYELQL-GRSHGNNSSA-N 404.857 4.565 0 1 HJAF COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1 64454381 BARXEXSWTASXNE-OAQYLSRUSA-N 400.438 4.566 0 1 HJAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 138604574 LNIGJUSPZWHWSQ-UHFFFAOYSA-N 401.510 4.615 0 1 HJAF CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(C)c1)C2 146393480 XPYTTXGIUZQRNU-UHFFFAOYSA-N 419.477 4.733 0 1 HJAF O=C(CCOc1ccccc1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167142356 BMXXEUHHNPPGNC-UHFFFAOYSA-N 401.466 4.642 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(OCC(F)(F)F)cc1 167471560 ZYQKIBZBFANKNM-KRWDZBQOSA-N 423.431 4.899 0 1 HJAF Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CCC[C@H](N)C3)n2)c1F 168194295 QBDOORMZDCRUOU-CVEARBPZSA-N 422.479 4.967 0 1 HJAF NC(=O)c1cccc(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1 211273028 CETGZCOAWCGLHK-UHFFFAOYSA-N 408.860 4.838 0 1 HJAF Cn1c(C2CCC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc21 223471421 FRJYKDRDGZNEJI-UHFFFAOYSA-N 403.457 4.710 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C 299821164 XQSKEOBPPYRPOT-RTBOGHNYSA-N 414.634 4.887 0 1 HJAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)cc3)c12 299867929 QUHRFRHRDAUQSR-UHFFFAOYSA-N 420.904 4.584 0 1 HJAF COc1ccc2[nH]c(C(=O)NCc3cccc(Cn4cnc5ccccc54)c3)cc2c1 468825937 DILLQLSUMLHVRI-UHFFFAOYSA-N 410.477 4.505 0 1 HJAF Cc1cnc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 586985581 OZTCWZXWHBUHPG-MRXNPFEDSA-N 405.727 4.867 0 1 HJAF COC(=O)c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587002015 RPEFZBLYDHRVBY-UHFFFAOYSA-N 411.255 4.844 0 1 HJAF CC(C)(C)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 587002904 HWBCNAJYWBJXJJ-NSHDSACASA-N 414.303 4.653 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587083046 ZNRHTEOIABCVSQ-UHFFFAOYSA-N 418.682 4.582 0 1 HJAF O=C(CSCc1nc2ccc(Cl)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114711 XKVDWODLQYUALW-UHFFFAOYSA-N 400.813 4.502 0 1 HJAF COc1cc(C)c(N)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587250492 XAWNPMGDXRFSBA-UHFFFAOYSA-N 416.197 4.790 0 1 HJAF C[C@]1(c2ccc(-n3ccnc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344660 XLDCVYOOMNYZSX-UKILVPOCSA-N 414.436 4.991 0 1 HJAF COC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C 587361857 CWMWUTLTFICNAT-ASSNKEHSSA-N 415.445 4.675 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C=O)o1)O2 587392895 XAVFNLPFLVEEBE-JOCHJYFZSA-N 413.433 4.542 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1scc(Br)c1Br)O2 587410506 OILMLHBPOAFVPM-NSHDSACASA-N 417.122 4.870 0 1 HJAF COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524764 KCXNVGJAVZRNAL-RUZDIDTESA-N 417.461 4.509 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574186 VRYFZIYYOATXQT-RCZVLFRGSA-N 419.477 4.555 0 1 HJAF CCOc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587593017 ZXKKWHQLXQBDHT-ZJSXRUAMSA-N 401.418 4.975 0 1 HJAF CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1NC(=O)OCc1ccccc1 587631632 RIZMFUBUWPUSSA-UHFFFAOYSA-N 404.825 4.815 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCCC3=O)c2)N1 587764256 CQIPAIQUVVNLLT-YEJXKQKISA-N 417.322 4.513 0 1 HJAF COc1cccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587768816 MRUYOUSYVLFKSQ-CQSZACIVSA-N 419.338 4.627 0 1 HJAF CCN1C(C)=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21 587773093 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HJAF CC(C)n1ncc2c(S(=O)(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc21 1772651668 GKTCRXXVWZBRBA-UHFFFAOYSA-N 416.503 4.681 0 1 HJAF CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(OC)c(O)c2)cc1 1857759725 FBMQROMIUKCEIV-UHFFFAOYSA-N 404.510 4.604 0 1 HJAF C[C@H](C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 1911580275 BNRLLFCJYSXTKN-ZJDGCUJOSA-N 403.309 4.921 0 1 HJAF CC(=O)[C@]1(CCC(C)=CCCC(C)=CCCC2=CC(=O)O[C@H]2O)[C@@H](O)CCC1(C)C 2356658005 BDWHNXBIFYPWRV-QQKQFIJSSA-N 418.574 4.778 0 1 HJAF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCn3cc4cc[nH]c4c3)c2)CC1 2356768477 OPQUROGRWPFTLL-YIGJPRQDSA-N 422.525 4.567 0 1 HJAF CCN(CC)CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 3049128 ZZISZQGKWWBXOM-UHFFFAOYSA-N 419.978 4.521 0 3 HJAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc(F)ccc3F)ccc21 201456191 WLSRORJICFDLCP-UHFFFAOYSA-N 408.404 4.888 0 3 HJAF CCCCc1oc2ccccc2c1Cc1cccc(/C(C)=C/Cn2oc(=O)[nH]c2=O)c1 13558173 QCEFMNARTINCQJ-GHRIWEEISA-N 418.493 4.913 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26385542 GZGRNURZGJTHEM-DTBQZZNTSA-N 402.623 4.725 0 1 HJAF Cc1ccc(-c2nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c2-c2ccc(C)cc2)cc1 28220052 NTIRTVAIWIRYSY-UHFFFAOYSA-N 412.408 4.992 0 1 HJAF CC1=C[C@@H](COCc2ccccc2)O[C@@]2(C1)C(=O)Nc1cccc(Br)c12 36382056 XUVNTVYKXBTGGX-HRAATJIYSA-N 414.299 4.549 0 1 HJAF CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1)C1CCCCC1 82142456 FIBSTRWOJYIZRI-UHFFFAOYSA-N 422.504 4.935 0 1 HJAF c1ccc2c(c1)[nH]c1cccc(OC[C@H]3CN(CCOC4CCCCC4)CCO3)c12 96939996 UFPVWNPGDGIQPX-HXUWFJFHSA-N 408.542 4.750 0 1 HJAF CC1=CC(=O)N(Nc2nc(-c3ccccc3)nc3scc(-c4cccs4)c23)C1=O 138674744 GLENANKZDOSDBT-UHFFFAOYSA-N 418.503 4.729 0 1 HJAF Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)Nc1ccccc1 203539941 AOBREUVPEFZVPG-UHFFFAOYSA-N 403.873 4.935 0 1 HJAF COc1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cc1Cl 219743325 RDAZZHZFRAMBDO-QFIPXVFZSA-N 423.940 4.814 0 1 HJAF CCOC(=O)Cc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977979 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COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1cc(F)ccc1O)[C@@H](C2)C3=O 587426962 FPMBUDWGYBWWEV-FDDCHVKYSA-N 410.828 4.885 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)cc1O)CC2=O 587455760 FOLBYTHPTKZPMG-KRWDZBQOSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cccnc3)cc1)CC2=O 587490895 PWXFSOYZHKSQBM-JOCHJYFZSA-N 403.434 4.665 0 1 HJAF Cc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544279 KCJIPGVOMADHMQ-OXJNMPFZSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](O)c1ccccc1 587605941 BXSPGIQTFYNPNV-MVNQZMKCSA-N 424.452 4.983 0 1 HJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(F)c(F)c1 587622804 UBOVKCGPLTUUFK-UHFFFAOYSA-N 405.202 4.646 0 1 HJAF O=C(c1ccc2cc(Br)ccc2c1)n1ncc2ccc(Cl)cc2c1=O 587650693 BMNJBKUFANFWIS-UHFFFAOYSA-N 413.658 4.654 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(C(F)(F)F)N1 587711087 VUECDBHDDFYRPA-JDNHERCYSA-N 403.217 4.511 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cccc(N)c12 587746613 MWWLZMUHPIWDNT-YTEVENLXSA-N 409.302 4.977 0 1 HJAF Cc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760740 QIPNHHGXOVJVMZ-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2cccn2)N1 587761733 VIVSMZJMVFWVOI-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF CC(C)[C@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587777945 KBIIPQAAWTYNPL-BIBXISHDSA-N 419.294 4.869 0 1 HJAF CC(C)COc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Br 587782755 XRKZOSHVSOTIAE-UHFFFAOYSA-N 417.303 4.646 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=CNCCC2)(c2ccccc2)N1 587794361 MNUNQKZSPDGERH-QKKBWIMNSA-N 401.323 4.633 0 1 HJAF CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587795403 IVSKEOPLSXGZIS-FKIZINRSSA-N 406.295 4.563 0 1 HJAF C/C(=C\[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587849901 WWEGFYSMBGPMKM-CEODZFCTSA-N 409.368 4.893 0 1 HJAF C[C@@H]1C[C@@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)[C@@H]2CCCC[C@H]2N1 962635377 HYVSQVCWHUEELT-YYZWBCLOSA-N 401.598 4.569 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(CC(C)(C)CC(=O)O)c1ccc(C)cc1 963054650 IUYZLTFRSUIWTJ-AREMUKBSSA-N 418.537 4.832 0 1 HJAF COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@H](C)CCO)[C@]2(C)C1 2356788564 XHWGHIJXIYCDEW-ZGXSGVJPSA-N 408.579 4.669 0 1 HJAF O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1 1341716 LQZGYLHPCGOTHJ-QFIPXVFZSA-N 421.472 4.651 0 3 HJAF CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)ccc2[C@@H](c2ccccc2)[C@H]1O 1890628 JCXXJUFQEJDNJX-DNVJHFABSA-N 402.556 4.562 0 1 HJAF CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 13859964 RAHWSYMHXYDXJB-UHFFFAOYSA-N 402.922 4.550 0 1 HJAF CS(=O)(=O)c1ccc(-c2sc3nc(C(F)(F)F)nn3c2-c2ccccc2)cc1 27704009 SWKWTJVJCSGVET-UHFFFAOYSA-N 423.441 4.547 0 1 HJAF CC1(C)C[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2ccccc2O1 40846562 CKMSOIOZIUVENL-NRFANRHFSA-N 405.416 4.521 0 1 HJAF O=C(O)c1cncc(OC(=O)N2CCC(CCCc3ccccc3Cl)CC2)c1 40874811 UZEPWKOEDSYSKA-UHFFFAOYSA-N 402.878 4.667 0 1 HJAF O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45201840 ZQJFDFMPRWTSFZ-UHFFFAOYSA-N 410.521 4.723 0 1 HJAF Cc1ccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)cc1 45496232 VIVVUXJMHUNAFB-UHFFFAOYSA-N 413.485 4.506 0 1 HJAF CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2 64491759 NAKVZBYNDIOTLA-NRFANRHFSA-N 422.422 4.841 0 1 HJAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Cl)c(O)c3)cc2c1 66252621 IQFODYLBDVQXGR-UHFFFAOYSA-N 422.868 4.631 0 1 HJAF O=S(=O)(Nc1cc(-c2ccc3ncsc3c2)cnc1Cl)c1ccc(F)cc1 72180714 KUFZSPXXONLZCF-UHFFFAOYSA-N 419.890 4.952 0 1 HJAF COc1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@@H](C2)[C@@H]1C[C@@H]1c2ccccc2N[C@@H]1C3 101006799 OZDWUFRFWFSOQE-VIODISHVSA-N 416.565 4.667 0 1 HJAF CCOC(=O)C1=C(NC(=O)c2oc3ccccc3c2C)Nc2ccccc2N=C1CC 101677766 ZQSSGSJKVVJJMP-UHFFFAOYSA-N 417.465 4.854 0 1 HJAF O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1 115712500 DXQIPZCTGFEJOY-AERCQKQUSA-N 409.574 4.860 0 1 HJAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2-c2ccccc2)cc(-n2nc(C)nc2C)n1 143006011 HBKKDUISIABGIW-WOJBJXKFSA-N 421.508 4.593 0 1 HJAF CCOP(=O)(OCC)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 169346828 MMAGFOCFXQXAJC-UHFFFAOYSA-N 413.414 4.787 0 1 HJAF CC(=O)OCC[C@@H](CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]12)COC(C)=O 238769517 SLOVHNWACCJKPR-PNDDCTNVSA-N 408.579 4.670 0 1 HJAF CC(=O)O[C@@H]1C/C(=C/C[C@@]2(C)[C@@H]3CCC[C@]4(CO4)[C@]3(C)CC[C@H]2C)[C@@H](OC(C)=O)O1 299811435 PUYSRPOTFNSFGW-MXXIFIALSA-N 420.546 4.513 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)c(Br)cc3[nH]2)cc1 586971104 UHWIDJLQEUPEGG-UHFFFAOYSA-N 418.360 4.857 0 1 HJAF O=C(c1ccccc1)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587006232 BHKUZFYKDLEWCJ-UHFFFAOYSA-N 417.266 4.871 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 587025539 HIWRBQYZBKWDLU-YUELXQCFSA-N 418.925 4.887 0 1 HJAF FC(F)(F)Oc1cccc(CSCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587121508 AZMSBPLCVFZSCI-UHFFFAOYSA-N 408.327 4.655 0 1 HJAF Cc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126248 WMIXUDMACKKNAV-UHFFFAOYSA-N 423.338 4.819 0 1 HJAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360340 VADIUXAQLCKIRT-UKILVPOCSA-N 418.420 4.712 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c3cc(Br)ccc3nn1C)CC2=O 587458220 HZGUBYDBVNOQCK-SFHVURJKSA-N 415.287 4.700 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OC)ccc1OC(C)C)CC2=O 587482801 JMCVXERMNDVXOT-DEOSSOPVSA-N 412.482 4.799 0 1 HJAF C[C@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558092 VELWFOFXNRLGNP-LAUBAEHRSA-N 412.344 4.591 0 1 HJAF Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br 587614066 QZIFBTWJOQPUBX-XJKSGUPXSA-N 418.268 4.623 0 1 HJAF C[C@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622733 SGMZRRJFZCKUOR-QMMMGPOBSA-N 402.223 4.801 0 1 HJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncc1Br 587685963 RRXIJPVYUPOZEN-FVMDXXJSSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2N)N1 587747235 KWZAPMZAFWODLQ-FPTDNZKUSA-N 411.318 4.997 0 1 HJAF CCOC(=O)C(CC)(CC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795951 JUCZNOCTTSUCFL-KZULUSFZSA-N 400.332 4.707 0 1 HJAF COC(=O)c1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1OC 587938341 VBYGFAZLFSSZLK-HXUWFJFHSA-N 402.450 4.547 0 1 HJAF Cc1ccccc1-c1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587945018 GMVHITKGJYCDSC-UHFFFAOYSA-N 413.836 4.889 0 1 HJAF Cc1c(-c2cccc(N3CCC(NC4CCN(C)CC4)CC3)c2)[nH]c2ccccc12 618010342 UHHXJTRBAROYSY-UHFFFAOYSA-N 402.586 4.796 0 1 HJAF Cc1ccc(NC(=O)CCc2nnc(-c3cc(CC(C)C)on3)n2C2CC2)c(C)c1 653723364 YQFIICDJTARFQZ-UHFFFAOYSA-N 407.518 4.655 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@]3(CC[C@H](c4ccccc4)c4ccc(O)cc43)c3cccc1c32 963022413 JASJOVBUTCDSCB-HMTCLSAISA-N 410.517 4.615 0 1 HJAF CN1C(=O)C[C@H]2CN[C@@](c3ccsc3)(c3ccc(Cl)c(F)c3)c3cccc1c32 963027004 KXRHUPDOOBCJAY-WHEQGISXSA-N 412.917 4.886 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1[C@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C 963280185 NNXCQFFROTXXJA-UHOSZYNNSA-N 421.379 4.838 0 1 HJAF Nc1nc2c(s1)CCC[C@]21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817453 MZMOXTIBRMUCST-XMMPIXPASA-N 416.550 4.511 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C(F)(F)F)c3)C2)cc1 1772601843 BKKYZVRIRABHRV-SCLBCKFNSA-N 410.411 4.699 0 1 HJAF COc1ccc(-c2ocnc2-c2cc(Br)c(OC)c(OC)c2)cc1OC 1857747275 PPIYNGIPJBUFMJ-UHFFFAOYSA-N 420.259 4.806 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 2356310929 VYZPGMGWYUEREY-NPDZJFEESA-N 418.574 4.708 0 1 HJAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)OCCCC 2356625851 BMYXDZANAIBOQH-FKBYEOEOSA-N 408.579 4.942 0 1 HJAF COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccc(Cl)cc1 1324422 KGWNWCPOYHVUQL-UHFFFAOYSA-N 415.833 4.847 0 3 HJAF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2482358 BWQCAHCCSLKJIM-UHFFFAOYSA-N 406.816 4.707 0 1 HJAF C[C@@H]1CCC[C@@H](N(Cc2ccco2)C(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C 6932469 QIODCLMIVCXOSX-DRSNIGMVSA-N 407.514 4.990 0 1 HJAF COc1ccc(CC2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)cc1 29203746 QJAHWQQVSJQCHI-QHCPKHFHSA-N 405.538 4.543 0 1 HJAF CCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1 36144114 VFIZNSNMLQIIMY-UHFFFAOYSA-N 421.353 4.916 0 1 HJAF CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)[C@@H](O)C2=O 38938850 FTKQZUFPVWKFIA-FCHUYYIVSA-N 406.478 4.762 0 1 HJAF biogenic COc1cc2c(cc1OC)[C@H](Cc1ccc(C(=O)c3ccccc3)cc1)N(C)CC2 40567968 WHIQERLHJZCLKP-QHCPKHFHSA-N 401.506 4.707 0 1 HJAF COc1ccc(-c2nc3c(Br)cccn3c2NC2CCCC2)cc1O 43020430 PRMGVVVKCWONMD-UHFFFAOYSA-N 402.292 4.833 0 1 HJAF O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H](NCc1ccccc1)c1ccccc1 49036826 QJDSLVQBWYNFIQ-JOCHJYFZSA-N 417.896 4.651 0 1 HJAF N=C(N)Nc1cccc(SCc2cc(Br)cc(Br)c2)c1 71331509 UUGXNUUNPUVLGL-UHFFFAOYSA-N 415.154 4.809 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)cc1 82179236 DQRGEFYJLVJLHC-FQEVSTJZSA-N 405.546 4.974 0 1 HJAF COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 96170635 HKRLISVFTJMOMH-ZFWWWQNUSA-N 417.493 4.510 0 1 HJAF CC[C@H](C)C(=O)N[C@@H]1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 165776831 ZSEMMHWUHYOFBF-HTAPYJJXSA-N 418.541 4.728 0 1 HJAF NCCCCNc1cc(-c2cccc(NCc3cc(F)cc(F)c3)n2)c(Cl)cn1 169703779 LZMOOKCALNXDSH-UHFFFAOYSA-N 417.891 4.838 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@H](N)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 255263377 RTCXOPGJLHDJMS-KDJLDEBGSA-N 414.678 4.672 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)c1cccc2ccccc12 299835105 LRBPWIBVBMUYDE-XMMPIXPASA-N 406.913 4.756 0 1 HJAF O=C(c1ccc(Cl)cc1)[C@H](CSCc1ncccn1)n1cnc2ccccc21 473090888 BACUMWOHGZEEJD-IBGZPJMESA-N 408.914 4.837 0 1 HJAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)cc1 586879184 FJAJLKMOIZZSOW-UHFFFAOYSA-N 422.488 4.855 0 1 HJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586908597 SEROQRJPBJZKMN-MRVPVSSYSA-N 413.193 4.925 0 1 HJAF CSc1sc(-c2nc3cccc(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920125 MUMWQIZXKKJEFG-UHFFFAOYSA-N 404.941 4.988 0 1 HJAF COc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2n1 587005284 RCTQHOAEFALBMP-UHFFFAOYSA-N 414.101 4.541 0 1 HJAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)cnc4[nH]3)nc2n1 587115371 LQHLBLHEOJGIRX-UHFFFAOYSA-N 410.400 4.563 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Br)ccnc3[nH]2)c1 587159715 VGXBHDFVUVLHGW-UHFFFAOYSA-N 408.234 4.865 0 1 HJAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)O2 587173234 ACYSXSXIGRKGIU-CQSZACIVSA-N 412.056 4.903 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn3ccnc(Cl)c13)O2 587382607 QOEHBRKIHMCTNF-KRWDZBQOSA-N 404.857 4.647 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2SC[C@H]1C 587415344 RFUXZYSRVRFKQR-WYRIXSBYSA-N 404.329 4.942 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccnc1 587569609 INUCEMHNJDXTRQ-RCZVLFRGSA-N 413.404 4.832 0 1 HJAF Cc1ccn2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc2c1 587589036 SXKOBAOAVGTWSE-YKSBVNFPSA-N 400.434 4.534 0 1 HJAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587693724 OBJGBFWHDNMLLF-BCTVWOGZSA-N 400.675 4.579 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)ccc2F)N1 587725194 CBMFAYNOOAIJRB-NZFNHWASSA-N 418.079 4.508 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c1 587787669 WVEUSHKTGUPUAE-UHFFFAOYSA-N 402.450 4.717 0 1 HJAF COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805902 IBYBTMFBWXAAHO-MPBGBICISA-N 408.311 4.598 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3c(c2)OCO3)N1 587839685 UKHJFJLDKNBAPW-HTGLOVNISA-N 422.294 4.534 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC=C2OCc2ccccc2)N1 587840282 XYWPOIAFMMJBOM-LHSJRXKWSA-N 416.290 4.920 0 1 HJAF CC(=O)OCc1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587847897 MMIURQFAEPPMDG-YPMLDQLKSA-N 412.324 4.511 0 1 HJAF CCc1ccccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861636 AREFPXXURPQTHU-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 587937575 POPQKULAYFFBNT-RUZDIDTESA-N 412.537 4.504 0 1 HJAF CCOC(=O)[C@H](CC)Cc1ccc(C(=O)NCc2ccccc2Br)cc1 653793323 XRAPVEDZWLPWJM-MRXNPFEDSA-N 418.331 4.511 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)c(OC)cc2Br)N1 962944772 FISSCNVMBHIGJM-BIBXISHDSA-N 401.304 4.658 0 1 HJAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC(C(=O)OC)(c3ccccc3)CC2)N1 962961656 XVUIVHVSCXIVIK-ILPVEIHGSA-N 402.538 4.973 0 1 HJAF O=C(O)c1cccc2c1CCN[C@@]2(CCc1cc(F)c(F)c(F)c1)c1ccccc1 963119181 CXDTWOSJZZNHGI-DEOSSOPVSA-N 411.423 4.824 0 1 HJAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)C(=O)N(C)C)cc1 1772589167 MUTBEIGKAHNCFX-SFYKDHMMSA-N 410.558 4.551 0 1 HJAF COc1ccc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c(F)c1 12708431 PRADLDAVFSIPHU-UHFFFAOYSA-N 411.439 4.670 0 3 HJAF CC(C)c1ccc(NC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61928737 LXPFILVQTZVWAX-JOCHJYFZSA-N 402.450 4.543 0 3 HJAF COc1ccc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(C3CC3)c2=O)cc1 4238756 PXRMRBRKRBGSTO-UHFFFAOYSA-N 420.856 4.643 0 1 HJAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cccc(Cl)c1)O2 26175446 PHCCLYMMALQRTG-OAQYLSRUSA-N 415.898 4.869 0 1 HJAF CC(C)N1CC[C@@H](Oc2ccc(OCc3ccccc3Cl)c(CN(C)C)c2)C1 28703628 FBKHHDDILLEADA-OAQYLSRUSA-N 402.966 4.842 0 1 HJAF O=C(c1c[nH]c2cc(OCc3ccccc3)ccc12)[C@@H]1CS[C@H](c2cccnc2)N1 36331993 PQKFTEXJAARLFZ-LADGPHEKSA-N 415.518 4.728 0 1 HJAF Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)NCc2ccccc2)c1 82146316 QGMBDSJHUDVJEV-UHFFFAOYSA-N 412.493 4.896 0 1 HJAF Cc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCC[C@H]1c1cccnc1 95586852 ZJRNPKXWYGUCBR-KRWDZBQOSA-N 412.440 4.561 0 1 HJAF CSc1ccc(Oc2ccc(CNC(=O)c3c4c(nn3C)[C@H](C)CC4)cc2)cc1 103188856 XDVVPVZRIWMDBR-OAHLLOKOSA-N 407.539 4.914 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccc(C)cc3)[C@@H](O)c3ccccc3)CC2)cc1 169324998 DIJPVVPSPYYUBP-SVBPBHIXSA-N 416.565 4.596 0 1 HJAF CC(C)=CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261167358 SDWMTMWHNYEEAG-AQYVVDRMSA-N 410.602 4.832 0 1 HJAF NC(=O)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998920 SEPUUMHWHYAUKJ-LUAWRHEFSA-N 408.255 4.855 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587025627 HUGKLHPJAVATLW-BPUTZDHNSA-N 400.935 4.748 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1 587075618 JQWQCYOCDMFUNN-UHFFFAOYSA-N 401.253 4.817 0 1 HJAF CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)ccc1OC(F)F 587129716 FMKPHQZFZDNICP-UXBLZVDNSA-N 422.453 4.527 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343961 ARJYJBOGOMGBFN-UPVQGACJSA-N 412.457 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCc4c(OC(=O)c5ccccc5)cccc41)[C@@H](C2)C3=O 587441286 GCPHBCXJKIKBLT-FNZWTVRRSA-N 412.441 4.504 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1 587555833 MJQQQKRYNGNNQU-FXAWDEMLSA-N 402.324 4.994 0 1 HJAF C[C@@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558094 VELWFOFXNRLGNP-UWJYYQICSA-N 412.344 4.591 0 1 HJAF CC[C@H](C)Sc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587608623 RJQLBLZTDGCHTB-NVMYHKGLSA-N 408.479 4.776 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cn1 587655271 AICVILBFIGAFQD-UHFFFAOYSA-N 403.310 4.745 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(N)c2)N1 587682548 ZQVKLQKIUKQHIB-VPTHRUTESA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C=O)cc2)(C(F)(F)F)N1 587708663 CXCNVYJBIWNPMO-BTDLBPIBSA-N 416.212 4.741 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccc3F)nc2)N1 587728608 SXNPTAJRUCNLFZ-NSPYISDASA-N 416.269 4.808 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccc(F)c3)CC2)N1 587731981 MHQHASXDHKLSTQ-AWEZNQCLSA-N 421.329 4.753 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@H]2CCCNC2)N1 587800094 ZXHSPESLORVCGX-QRFQSNJMSA-N 417.366 4.560 0 1 HJAF COc1cccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587808397 NNUCRDYKRMSOOQ-FKIZINRSSA-N 406.295 4.619 0 1 HJAF Cc1csc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850375 DRDBIGLDYNGOHY-BMLIUANNSA-N 406.324 4.767 0 1 HJAF COc1ccc(/C=C/Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(OC)c1 587928430 CEWGDWQVVIHCHF-ONEGZZNKSA-N 413.346 4.885 0 1 HJAF Nc1c(Br)cccc1-n1c(O)cc(-c2ccccc2Br)c1O 587935679 PMFMMIJVAOMSIX-UHFFFAOYSA-N 424.092 4.663 0 1 HJAF Fc1ccc(OCc2cc(OCC3CCC3)nc(-c3ccccn3)n2)c(F)c1F 653794123 UPBWNLQVKNDGIJ-UHFFFAOYSA-N 401.388 4.714 0 1 HJAF O=C(NCCCCc1ccccc1)n1c(=O)oc2ccc(-c3ccc(F)cc3)cc21 653811103 KUAOCWKHXSPOMB-UHFFFAOYSA-N 404.441 4.981 0 1 HJAF Cc1cc2c(cc1F)[C@H](c1ccc(OCCN3CCCCC3)c(Cl)c1)NCC2 962376817 QUIMMTJJDOQHJA-QHCPKHFHSA-N 402.941 4.887 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1cc(Cl)ncc1C(F)(F)F)N(C)[C@@H](C)C2 962636779 SYKZGRXHILSXSB-DYZYQPBXSA-N 400.828 4.737 0 1 HJAF Cc1nc(-c2ccccc2)c([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962719330 XQUPTVPFDGXOMB-SJLPKXTDSA-N 402.441 4.854 0 1 HJAF CC(=O)Nc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1 1857612924 OGLVKNFLOWCEEQ-RUZDIDTESA-N 409.489 4.914 0 1 HJAF CCCCCCN(CCCCCC)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 1857638029 CLDOMOAABRDILY-HSZRJFAPSA-N 422.564 4.907 0 1 HJAF CN(C(=N)Nc1cccc2ccccc12)c1cccc(I)c1 1545525 YEMFBSCVGTUXHD-UHFFFAOYSA-N 401.251 4.927 0 1 HJAF CCCN(CCC)[C@@H]1CCc2cc(CN(C(N)=O)c3ccc(OC)cc3)ccc2C1 27329668 AGQAAIRBRCRFGB-HSZRJFAPSA-N 409.574 4.760 0 1 HJAF O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)C(F)(F)F 28529125 DZVJXPISEJZQDG-UHFFFAOYSA-N 402.177 4.753 0 1 HJAF O=C1C[C@H](O)C[C@H](/C=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2Cl)O1 29410448 WFNUYWHHWZXZKY-JLSIVADVSA-N 411.256 4.791 0 1 HJAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)co2)cc1 82069331 NCXLSPPXKFABHT-OAQYLSRUSA-N 421.541 4.509 0 1 HJAF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2F)oc1C 82175609 LJVFLTPXJPUNOY-UHFFFAOYSA-N 418.428 4.895 0 1 HJAF Nc1c(C(=O)N2CCSCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103241948 VLVGQSYTMSHVFG-UHFFFAOYSA-N 423.485 4.753 0 1 HJAF C=Cc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1 103245349 WWPCZKMQGOUYMM-ZEQRLZLVSA-N 416.521 4.511 0 1 HJAF Cc1nn(-c2ccccc2)c(O)c1SC(F)(F)[C@@](F)(Cl)OC(F)(F)F 103956809 OMCCSRZJGKMXAA-NSHDSACASA-N 406.735 4.970 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169322986 WHWOXTLAMAZUQG-QKVFZIEOSA-N 400.607 4.894 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2c1 587116030 KQZSASHORIKRAC-UHFFFAOYSA-N 406.751 4.632 0 1 HJAF COc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1F 587183400 ZKUCEBDRLQHYGM-UHFFFAOYSA-N 402.594 4.636 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587192667 YWJHWHOADGCPCE-OAHLLOKOSA-N 406.408 4.933 0 1 HJAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587447260 OQBPNIZIAAKJLQ-LVXARBLLSA-N 414.457 4.870 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(C)cn3)c1)CC2=O 587475703 NYTPPGNIHPDQDM-QHCPKHFHSA-N 406.482 4.613 0 1 HJAF Cc1cccc([C@H](O)[C@@]2(c3cccc(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587516070 ULERQFUQAIZEOM-UIOOFZCWSA-N 414.505 4.567 0 1 HJAF COc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c12 587757113 MYVQPKXHHXVNGR-NSPYISDASA-N 403.295 4.712 0 1 HJAF CCCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587768605 LEJKOJGBAIOIMB-LRTDBIEQSA-N 417.322 4.513 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1 587773606 QZECVSOIWUXBAC-GTJPDFRWSA-N 413.290 4.979 0 1 HJAF COc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 587780040 XSFMNRHVFZLRML-BIBXISHDSA-N 401.279 4.769 0 1 HJAF CCOC(=O)C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799926 VATKDGZNEYCULC-LHSJRXKWSA-N 420.322 4.514 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccn3)n2)N1 587852636 MNHYTVOKBUMXAU-BMLIUANNSA-N 404.308 4.730 0 1 HJAF Cc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n2nc(C)c(-c3ccccc3)c2n1 621432744 OEOOJLRGECZKNN-LJQANCHMSA-N 421.545 4.825 0 1 HJAF Cc1cccc2c1[C@@]1(c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N31)c1ccccc1-2 962676941 YECQSNOUZKCPSL-WUFINQPMSA-N 420.512 4.914 0 1 HJAF COc1cc([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)ccc1O 963830923 DXPPLURRUCGGEI-AREMUKBSSA-N 414.505 4.870 0 1 HJAF O=C(OCCO)OCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1857760475 XAEQTNOBMPHOCX-UHFFFAOYSA-N 422.477 4.533 0 1 HJAF CCc1cccc(C)c1NC(=O)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 1911579573 BQEZKZWQQNTWBH-YPAAYVHUSA-N 406.570 4.816 0 1 HJAF C[C@@H]1CN[C@H]2[C@H](C1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356340341 MJLSQBTUGWSIFX-PTJMLDJSSA-N 414.678 4.984 0 1 HJAF COc1ccc(CC[C@H](C)[C@@H](C)[C@H](O)Cc2ccc(OC)c(OC)c2)cc1OC 2356700459 MXBCUUKBWQLFOZ-SQGPQFPESA-N 402.531 4.529 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCC(C)(C)CO 4273881 QYAFTBZAHSGNDL-OALUTQOASA-N 412.933 4.628 0 1 HJAF COc1cccc(/C=C(/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2)c1 6052329 IPIOFSASIRPEHU-AJCUTEJVSA-N 421.537 4.720 0 1 HJAF COc1cc(C(=O)O)ccc1CN(Cc1ccccc1)c1ccc(C(C)=O)c(O)c1 27903879 QDFRPLOUJXMISL-UHFFFAOYSA-N 405.450 4.508 0 1 HJAF CC(=O)NCCCN(CCCN1CCCC/C=C\CCCCCCCC1)C(C)=O 34538282 NRDQQWPDWIXTER-ALCCZGGFSA-N 407.643 4.524 0 1 HJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@@H](C)C4)[C@@H]3C=C12 35807125 CMTQZHTYEISAFS-NPABAWAWSA-N 420.597 4.740 0 1 HJAF biogenic O=C(N[C@@H]1Cc2ccc(Cl)cc2[C@H]1O)c1cc2sc(Cl)c(Cl)c2[nH]1 36177553 ZJKYLXGKLWYTAJ-YMTOWFKASA-N 401.702 4.578 0 1 HJAF COCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 45167245 ARSUKRKASCXWDW-UHFFFAOYSA-N 421.368 4.557 0 1 HJAF Cc1ccccc1CNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1 82180277 YJANXNRLYDFEAQ-HXUWFJFHSA-N 405.546 4.974 0 1 HJAF CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccccc2OC)[nH]1 96906261 FKPLPWPHWWIBLA-UHFFFAOYSA-N 400.500 4.890 0 1 HJAF O=C(O)[C@H]1CC[C@H](Oc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cn3)cn2)CC1 101688497 QCPURHNPMLMDRG-RHNCMZPLSA-N 414.465 4.709 0 1 HJAF O=C(Nc1cc(-c2c(-c3ccc(F)cc3)nc3n2CCS3)ccn1)c1ccco1 169331093 YBSZRFFSTURFTJ-UHFFFAOYSA-N 406.442 4.702 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(C)c(C)c3[nH]1)C(=O)OC2 586916386 YDPBZPMYZKWVSJ-AWNIVKPZSA-N 420.509 4.994 0 1 HJAF Cc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F 586962222 VZVGTJSHZTYDEB-LPTQZCDUSA-N 413.518 4.705 0 1 HJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586995049 CPEFSMFPMYOKKX-UHFFFAOYSA-N 415.266 4.964 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Cl)nc3[nH]1)N2 587033284 YGFLSTMHYITWMH-TXEUWIOXSA-N 405.936 4.738 0 1 HJAF Brc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1 587039090 CBKACIIQIVBEJA-UHFFFAOYSA-N 408.346 4.778 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc(C(F)(F)c5ccccn5)[nH]c4c3)o2)cc1 587089422 CUXOLHZGGLWHHH-UHFFFAOYSA-N 419.391 4.824 0 1 HJAF COc1cc(OC)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 587091020 FTTRUULMUUYXBP-UHFFFAOYSA-N 421.297 4.602 0 1 HJAF FC(F)(F)c1cc(-c2nc3ccc(Br)nc3[nH]2)c(Br)cn1 587115114 OEMFAFCPSNDIIM-UHFFFAOYSA-N 422.002 4.564 0 1 HJAF CC[C@H](c1nc2ccc(Cl)c(C)c2[nH]1)n1cc(I)c(C)n1 587184565 CHCAHWSHENEFPS-CYBMUJFWSA-N 414.678 4.634 0 1 HJAF Cc1nc2ccccn2c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339971 RLCDVXPPRHJXCR-XUZZJYLKSA-N 402.425 4.762 0 1 HJAF COC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587345278 INFIXYIBGZDFMJ-RDPSFJRHSA-N 423.440 4.537 0 1 HJAF CN(C)/C=C\[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377278 RDPLNTGLDFSOSF-BMYSDILASA-N 409.482 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3ccc(Br)cc31)CC2=O 587456999 DFDUJTNVWOQMSA-FQEVSTJZSA-N 402.288 4.784 0 1 HJAF Cc1cc(C)c2c(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)oc2n1 587573019 ARKCNBAIAYKCOG-KOSHJBKYSA-N 416.433 4.609 0 1 HJAF C[C@H](OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587591136 BHPVLSWQEZRWLE-HKFAVZMWSA-N 418.445 4.807 0 1 HJAF CC1(C)[C@H](Oc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600174 MNHMNWIURQJIEO-TYBLODHISA-N 402.446 4.970 0 1 HJAF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587710038 QBTKRELOVUJLHV-QFYYESIMSA-N 403.217 4.632 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cccs2)N1 587720255 MCERLKMGOKZHIP-HUTHGQBESA-N 418.278 4.652 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN3CCCC3)c2)N1 587765180 IPXBNSDSMHPFTR-SZNDQCEHSA-N 403.339 4.808 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587828875 AOMCCHWQCMJABU-YBTHPKLGSA-N 406.295 4.633 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(S(C)(=O)=O)c1 587858704 ACEBOGPPEJGJHE-UHFFFAOYSA-N 411.310 4.648 0 1 HJAF Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946886 YNJSWTMIFCTUDP-UHFFFAOYSA-N 405.216 4.787 0 1 HJAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCCCCC3)nc21 653781583 HQZLFWDMIGHLJC-UHFFFAOYSA-N 400.429 4.534 0 1 HJAF CC(=O)c1oc2ccccc2c1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 957732741 LRKICFYLUJJJKJ-UHFFFAOYSA-N 420.465 4.623 0 1 HJAF COc1ccc2c(c1)[C@@]1(CN(C(=O)OC(C)(C)C)CC(C)(C)C1)N(C(C)C)CC2 962091489 OBERAOBAICKQJP-XMMPIXPASA-N 402.579 4.824 0 1 HJAF Cn1ncc2c([C@]3(C)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)cccc21 962951397 GXXGLMYYYOBNND-NRFANRHFSA-N 415.459 4.507 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(C)c1c(C(F)(F)F)nn(C)c1Cl 963279256 FIKMONNDKHFASW-OAHLLOKOSA-N 422.676 4.606 0 1 HJAF FC(F)(F)c1nn(-c2ccc(Cc3nc[nH]n3)cc2)cc1-c1ccc2cc[nH]c2c1 1911571580 WRRDFCSBBDADJJ-UHFFFAOYSA-N 408.387 4.748 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 34165807 BNXKKGNFJUFIND-BXVWHTCBSA-N 404.591 4.775 0 1 HJAF CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40394001 CLBACWHUNARQPY-SFHVURJKSA-N 400.269 4.513 0 1 HJAF CCCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 40949253 DBJKCQMDCIXXAZ-NRFANRHFSA-N 402.922 4.814 0 1 HJAF CCOc1c(Br)cc(C)cc1CNCCCNc1nc2ccccc2[nH]1 45168181 APHPZEPVZIDAHC-UHFFFAOYSA-N 417.351 4.624 0 1 HJAF N[C@@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 45229056 BDODQMHFOIIDCE-JOCHJYFZSA-N 400.501 4.959 0 1 HJAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccnc4ccccc34)C[C@@H]1O2 84633920 JDHAHJSZFPOWTA-KEWLPNKHSA-N 416.521 4.867 0 1 HJAF CCC(=O)N1CCc2cc(-c3csc(NCc4cc(OC)cc(OC)c4)n3)ccc21 95755293 JVRVXVSJFKRKNT-UHFFFAOYSA-N 423.538 4.739 0 1 HJAF C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1 103205090 YPSMJURGWIIJFQ-UXHICEINSA-N 409.592 4.960 0 1 HJAF O=C1c2cc(OCCCO)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 103271960 LVWRYRUMECOOIT-UHFFFAOYSA-N 411.404 4.593 0 1 HJAF COc1cc(-c2cc3c(Nc4ccc(C)c(O)c4)ncnc3cc2OC)ccc1O 143171615 IWLOLULNROCYDO-UHFFFAOYSA-N 403.438 4.777 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C/C[C@H](O)/C(C)=C\CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 169363897 BEGZWCKKXIZDII-YETAGDLGSA-N 404.547 4.816 0 1 HJAF CC[C@H]1C(=O)CC[C@@]2(C)C1=NC[C@@H]1[C@@H]3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CC[C@@H]12 169714062 QQQFEBCXAWYYGC-RHEBAEJASA-N 400.607 4.764 0 1 HJAF COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 205914071 KRDDTIMFUUMXBL-UHFFFAOYSA-N 407.451 4.800 0 1 HJAF COc1cc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC 207443621 YPGMUNPVVVVGAU-UHFFFAOYSA-N 404.875 4.742 0 1 HJAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4occc34)CC2)CC1 261191692 ZJUHEDMNUHRHQM-XUTJKUGGSA-N 412.574 4.714 0 1 HJAF Fc1cc(-c2cnn(C3CC3)c2)cn2c(C(F)(F)c3ccc4ncccc4c3)nnc12 299854657 AIFBTSOHUKCCPN-UHFFFAOYSA-N 420.398 4.755 0 1 HJAF O=C(Nc1ccc(OCCN2CCCC2)cc1)c1cccc(-c2cccc(O)c2)c1 299860102 ZQUCBNSEBDOVDA-UHFFFAOYSA-N 402.494 4.786 0 1 HJAF CCn1cc(Br)c(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)n1 587000778 QLAAMRKEAKUTCH-UHFFFAOYSA-N 405.243 4.745 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)OC)cc2[nH]1 587033900 KCNCWLNKZKCFFX-MRXNPFEDSA-N 407.495 4.835 0 1 HJAF Clc1ncc(I)c2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587041702 DOVRICBEPRYNBT-JTQLQIEISA-N 413.671 4.605 0 1 HJAF Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2Cl)c1 587162380 WLYUVMCFKYSHAF-UHFFFAOYSA-N 413.737 4.820 0 1 HJAF FC(F)(F)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cn1 587182564 JMDQOTKMULFRED-UHFFFAOYSA-N 423.563 4.902 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccco3)CC2)[C@@H]1c1ccc(F)cc1 587347170 TWVLLHJBHZPJGX-JOCHJYFZSA-N 407.441 4.518 0 1 HJAF COc1cccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587442733 LFKMOMSWPHNBBR-PXDATVDWSA-N 402.446 4.772 0 1 HJAF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553186 UEDPIEOPEXAYNB-REWPJTCUSA-N 423.852 4.795 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC(F)F)c1 587556466 OOAIVRQNZAADBN-PXNSSMCTSA-N 402.324 4.836 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Br 587559877 ZYJWUSDTJLODQA-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF Cc1ccc(COc2ccsc2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587654666 XYDYAVQKLRYVGZ-UHFFFAOYSA-N 410.882 4.687 0 1 HJAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)F)c1 587721248 WIOGYYLGQQGALU-XYZCENFISA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)cc2F)N1 587721765 XHUHCDQKRUEJFI-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF CC[C@@]1(c2cc(F)c(O)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587722893 UBQXNMIDGTWXER-LZVRBXCZSA-N 400.238 4.760 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2F)N1 587727666 OTWQZUJBJJVOIE-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF CC[C@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc2O1 587747725 RMGZPWGSAKQQJK-YFMVFKIRSA-N 419.338 4.899 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3ccnc3)cc2)N1 587751701 AKGYGZGRGYPPJV-ZUOKHONESA-N 400.295 4.572 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754949 FXQCQDISFHBZNY-BIBXISHDSA-N 403.295 4.583 0 1 HJAF CCOc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1CC(C)C 587759533 UNLMVTGEMRPPRR-HXPMCKFVSA-N 424.358 4.771 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccccc1OC 587865188 WLGJOGZBGKFIKQ-UHFFFAOYSA-N 419.403 4.729 0 1 HJAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4cccc(Cl)c4)c3O)c2)n1 587938538 YYXLYMQVECJUPL-UHFFFAOYSA-N 406.825 4.969 0 1 HJAF Nc1nc2ccc([C@]3(c4ccccc4)NCCc4c(Cl)cc(Cl)cc43)cc2[nH]1 963102691 DXCTXRWHBQRQNH-QFIPXVFZSA-N 409.320 4.890 0 1 HJAF CCOC(=O)Nc1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1N 1772634544 HZWABDJMXOEWOI-UHFFFAOYSA-N 422.329 4.882 0 1 HJAF CCCN(CCCCCCc1ccc(O)c(OC)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857588686 SDBZJKFRYKEEMJ-SFHVURJKSA-N 417.619 4.642 0 1 HJAF CC[C@@]1(CCn2cc(COc3ccccc3)nn2)OCCc2c1[nH]c1ccccc21 1857605966 CBXVNTLOIFIAEU-DEOSSOPVSA-N 402.498 4.607 0 1 HJAF COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2)cc1 1857620515 HQMNMYXRCMXMRT-VWLOTQADSA-N 412.489 4.973 0 1 HJAF CC[C@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1Cc1ccc(OC)cc1OC 1857652045 NRDXSNYFWGEXLZ-KRWDZBQOSA-N 421.415 4.813 0 1 HJAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(C(C)C)cc2)O3)cc1 61905215 BTDOWNIJYOJLRE-HSZRJFAPSA-N 415.493 4.773 0 3 HJAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 4036771 YOUSNCOWHLILND-ILBGXUMGSA-N 413.521 4.800 0 1 HJAF COc1ccc(C[C@@H](C(=O)O)C(C)C)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 12358291 IBDGAOTUTCCWQU-QGZVFWFLSA-N 423.431 4.543 0 1 HJAF O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1cccc2ccccc12 13611708 GZZZXKUCQZYPBH-UHFFFAOYSA-N 419.550 4.691 0 1 HJAF Cc1ccc(-c2ncc(C(=O)N[C@H](CO)CC(C)C)nc2-c2ccc(C)cc2)cc1 13979847 VHPXHLMBOHUIJE-NRFANRHFSA-N 403.526 4.564 0 1 HJAF CC(C)N[C@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(-c3ccccc3)oc2c1 27107956 HXVQVMDYUJEKHG-HSZRJFAPSA-N 415.489 4.822 0 1 HJAF COc1ccc(N2Cc3cc4ccccc4cc3C2=O)cc1OCCN1CCCCC1 28818865 RNWALOIOWZSCFE-UHFFFAOYSA-N 416.521 4.874 0 1 HJAF O=C(NC(=S)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 72124535 WXHTZSYCQVVDOB-UHFFFAOYSA-N 406.351 4.529 0 1 HJAF Cc1ccc(NC(=O)[C@H](CC2CCCC2)NC(=O)c2cc(Cl)ccc2O)cc1 96932388 IRPMIHQCYMYAHK-IBGZPJMESA-N 400.906 4.671 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(CN3CCN(C)CC3)cc2)n1)c1ccccc1 135692787 YFBGGFYQWFMGGW-DEOSSOPVSA-N 415.585 4.844 0 1 HJAF CN1CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)CC1 145497721 HYLAHQGBJHMDOO-JOCHJYFZSA-N 421.566 4.749 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCCCC(=O)N1Cc1cccc(-n2cccn2)c1 167007364 IYJCCNXUIXSMFN-FQEVSTJZSA-N 405.498 4.533 0 1 HJAF [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3cc(C)ccn3)C2=S)cc1C(F)(F)F 167726959 PSQULWJIMXPACL-UHFFFAOYSA-N 404.417 4.876 0 1 HJAF COC1=C[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@@H]2C=C1 169299370 FDWHRNRDGMYDCB-KLHJMIIUSA-N 403.448 4.628 0 1 HJAF COC(=O)c1cccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc12 586980615 BOMINQMYXCYUAN-UHFFFAOYSA-N 410.271 4.878 0 1 HJAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(Cl)cn4)nc13)-c1ccccc1C2=O 586993996 TUQOKMQNWXQUBR-UHFFFAOYSA-N 413.864 4.984 0 1 HJAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(N)cc1)-c1ccccc1C2=O 586997476 SBGAENACMQXRED-NRFANRHFSA-N 404.469 4.984 0 1 HJAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587111997 GENVGFJGTJBJJZ-INIZCTEOSA-N 417.218 4.683 0 1 HJAF CCOc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)ccc1OC(F)F 587129217 DHEIOWDWGYVSNC-GQCTYLIASA-N 410.218 4.891 0 1 HJAF CSc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 587167504 ORYJABIRPIAPHP-UHFFFAOYSA-N 419.528 4.953 0 1 HJAF COc1cc2c(cc1F)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335106 NWQLHCUXWYGTJA-ISKFKSNPSA-N 408.400 4.880 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 587342776 HGCPNURTIMFKEX-UKILVPOCSA-N 403.453 4.535 0 1 HJAF C[S@](=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369869 QQTQHQWNOHUFRR-PLIGCNLOSA-N 410.466 4.543 0 1 HJAF COC(=O)CCc1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587518837 QSTFNKDTQNMCJM-QHCPKHFHSA-N 417.505 4.939 0 1 HJAF CN(C)/C=C/[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548586 QAIISYVETNHOHZ-AUJBNRGBSA-N 421.880 4.978 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)F)c1O 587553080 DQLGOJSRRGVXJS-UZLBHIALSA-N 418.323 4.699 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(F)cc1 587571422 ODWPQJJHODPTJL-XXBNENTESA-N 402.381 4.624 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccccc1)C2 587581936 XWXXWCWMWAHCKP-WIOPSUGQSA-N 414.461 4.777 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N)N1 587676780 FSMKWXDRUDHSJA-VPTHRUTESA-N 414.116 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnc2Br)N1 587678534 DCWSFEYYCIDGFX-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF Cc1nc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587683814 PEXTVAWUOQVSRY-BCTVWOGZSA-N 414.116 4.678 0 1 HJAF COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587710116 QNASJQWWTVHKOR-DYZYQPBXSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(N)c2)N1 587746104 LIVCUKNXGYSGIL-FPTDNZKUSA-N 411.318 4.997 0 1 HJAF CC(=O)n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587755953 ITOOWEQKZUBVJA-PRWKNARSSA-N 401.279 4.827 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587761550 PVNIZUQNEQVOHE-JDSLSITLSA-N 413.331 4.563 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cc(O)ccn3)c2)N1 587773610 QZECVSOIWUXBAC-QKVFXAPYSA-N 413.290 4.979 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CCCCC2 587869469 KKOUYFCHUYKXLU-UHFFFAOYSA-N 421.444 4.991 0 1 HJAF COc1ccc2c(c1)c([C@@H]1NCCc3c1c(C(C)C)nn3C)cn2C(=O)OC(C)(C)C 962915388 HRSKVDXADBMTJB-QFIPXVFZSA-N 424.545 4.525 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(-n2ccnc2)c(F)c1 963280089 MDQWVMGSIDTTHY-FQEVSTJZSA-N 400.295 4.525 0 1 HJAF Cc1cc2c(cc1O)[C@@](c1ccc(F)c(Cl)c1)(C1CCCCC1)N[C@H](C(=O)O)C2 963487837 DTIZTYRYRGYCBK-REWPJTCUSA-N 417.908 4.916 0 1 HJAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC[C@@H]2CCCO)c1 2356397286 LXHMXYRWGMCGCZ-DPLHUUCSSA-N 420.590 4.935 0 1 HJAF O=C(Cn1ccc2ccc(Cl)cc21)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356449196 DXKYBSAAJYNLCU-JBAWTIAASA-N 423.988 4.716 0 1 HJAF C[C@H]1CC[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)NC1 2356517122 XWTNAYWYYCWVTF-LQIVXYKJSA-N 415.662 4.921 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)OC(C)=O)C1 2356682603 YFQHKGUJGTVODY-OFNICJAWSA-N 418.574 4.708 0 1 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 768644 MZKPPDBBCUUCCO-PZJWPPBQSA-N 412.848 4.523 0 1 HJAF CCC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358288 NXNUJDVSVRAGCN-INIZCTEOSA-N 423.431 4.687 0 1 HJAF C=C[C@](C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N2 14583936 KWVWOXJGHDYSDZ-RQADYFSKSA-N 423.601 4.828 0 1 HJAF biogenic CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@H]3c1ccccc1)O[C@@H](C)[C@@H](C)C2=O 14919297 GDBZTZISXRIMID-VKJFTORMSA-N 406.478 4.942 0 1 HJAF biogenic,in-vitro CCOc1cc(CC(=O)N[C@@H](CC)c2ccccc2N2CCCCC2)ccc1C(=O)O 27562527 DMSQLCXIZHIPHK-NRFANRHFSA-N 424.541 4.584 0 1 HJAF CN(C)Cc1cc(OC[C@@H]2CCCN(C)C2)ccc1OCc1ccccc1Cl 28703624 QMWPZWLGODFRSH-GOSISDBHSA-N 402.966 4.701 0 1 HJAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC 28956419 GCCNDJMGLBASBD-RBBKRZOGSA-N 404.514 4.821 0 1 HJAF O=C1NC(=O)[C@H](Cc2ccc(C(=O)CCc3csc(-c4ccccc4)n3)cc2)S1 29487484 FEPYJTDPVRFQNC-IBGZPJMESA-N 422.531 4.520 0 1 HJAF CCCC[C@@H](C(C)=O)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C(C)C)nn1 44681651 XHOTUPQHXLRCJV-UPVQGACJSA-N 407.562 4.808 0 1 HJAF in-vitro NC[C@H]1CCCN1Cc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 45303044 NOUUMJLZNYAABL-JOCHJYFZSA-N 400.501 4.959 0 1 HJAF COc1cccc2c(C(=O)N3C[C@H]4CCCN4CC3(C)C)cn(CC3CCCCC3)c12 64549450 SLPGSWIEEUBPDH-HXUWFJFHSA-N 423.601 4.929 0 1 HJAF CCNc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2 72120064 KUWSQRWJCOFAGZ-UHFFFAOYSA-N 402.502 4.725 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 72123527 FVVSHRMUDMBKFA-UBQYLBFWSA-N 418.574 4.896 0 1 HJAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccccc2)C1 82133490 OMNZGBCFTDJKNA-OALUTQOASA-N 400.526 4.874 0 1 HJAF COc1ccc(C)cc1NC(=O)OC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)nc1 100080585 JVWQIBDWBIFARN-ROUUACIJSA-N 413.493 4.672 0 1 HJAF CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c(OC)c1 103538753 QTXLKUKSYRFQAH-GOSISDBHSA-N 414.531 4.715 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 145611871 HWBHNCKNXGKGOR-CPJSRVTESA-N 420.516 4.648 0 1 HJAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OCCCCC(N)=O)cc23)cc1 149541520 GRKXAJYBSDKLNT-UHFFFAOYSA-N 419.569 4.902 0 1 HJAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(-c3ccccc3)s2)n1 220644882 IRGBHMIQDXZZDP-GOEBONIOSA-N 409.515 4.754 0 1 HJAF C[C@H](N)[C@@H]1[C@@H](O)C[C@@]2(C)C[C@@H]3CC[C@H]4C(=CC[C@H](N(C)C)C4(C)C)C=C3[C@H](C)[C@@H]12 238750184 PITOHOVPTPHLBW-DRMMACNFSA-N 400.651 4.616 0 1 HJAF O=C1NC(=O)/C(=C/c2ccc(OCCCc3ccccc3)c(Br)c2)S1 299870558 WKMYKLPTESHNIX-ATVHPVEESA-N 418.312 4.785 0 1 HJAF CC(C)(C)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 587001051 KQEQOKJKVZVVMX-DAXSKMNVSA-N 414.303 4.960 0 1 HJAF Cc1ncsc1CCc1nc2cc(Br)c(Br)cc2[nH]1 587027212 QYMWCPACGDCURU-UHFFFAOYSA-N 401.127 4.638 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@H]2CCCC[C@@H]21 587028057 VJQVETDGTAHQDU-UAOJZALGSA-N 405.527 4.576 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1OC 587046437 URXAEQRBQIOODJ-UHFFFAOYSA-N 418.877 4.722 0 1 HJAF CCCOc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br 587052776 MCAKAGULEYBCSD-CYBMUJFWSA-N 424.726 4.716 0 1 HJAF CCc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587109526 XBXMCROZRWCIKI-KRWDZBQOSA-N 423.460 4.670 0 1 HJAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br 587127439 XMZVCZVIPDVYDI-OQPBUACISA-N 414.229 4.805 0 1 HJAF Oc1c(F)cc(F)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 587134342 OFEJDSGTVIYEMU-UHFFFAOYSA-N 404.008 4.739 0 1 HJAF C[C@@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329033 BXDQHJUABSXGBO-RXVVDRJESA-N 401.796 4.993 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F 587385201 MVNKQXDLMXPVCG-QFIPXVFZSA-N 405.425 4.876 0 1 HJAF CC[C@@]1(CCc2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419885 USRYBFCUOQLLBW-UTKZUKDTSA-N 401.300 4.987 0 1 HJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1nccs1 587617878 LQJJPJWOKSCLCY-DENIHFKCSA-N 418.474 4.959 0 1 HJAF O=C1COc2ccc(-c3[nH]c4ccc(F)c(Cl)c4c3C(=O)C(F)(F)F)cc2N1 587629564 BQBYKOUJTDGHCQ-UHFFFAOYSA-N 412.726 4.703 0 1 HJAF CC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587701292 XAFSHTMZKDSCBH-JEOXALJRSA-N 410.714 4.999 0 1 HJAF CC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587701298 XAFSHTMZKDSCBH-WLRWDXFRSA-N 410.714 4.999 0 1 HJAF C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC(C)C 587702605 FCPRGUYFXJVBNY-BMLXRUJMSA-N 409.265 4.782 0 1 HJAF COc1ccc(/C(=C\N(C)C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587743143 VXLSZVKKCCQNCN-HKYSINQKSA-N 419.338 4.775 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)cc2)N1 587745578 JWXFALUGIYOGIB-FPTDNZKUSA-N 411.318 4.997 0 1 HJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587785358 NNGQTCANOKRDLP-STQMWFEESA-N 405.679 4.922 0 1 HJAF COc1cc2c(cc1OC)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587806681 IITNKRPXFPSADH-GTJPDFRWSA-N 420.322 4.720 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(c2ccccc2)N1 587816485 YUVQQMVXAVYRRG-YEJXKQKISA-N 402.307 4.735 0 1 HJAF Cc1nc(N[C@@H](C)c2cccc(OCC(=O)O)c2)cc(-c2ccc3ccn(C)c3c2)n1 653672742 LVEUVIDQZAYYJV-HNNXBMFYSA-N 416.481 4.580 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)([C@H]1C(=O)[C@@]3(C)CC[C@H]1C3(C)C)NCC2 962914166 CTFISOXMTGSCCH-SHKCYZCESA-N 405.586 4.574 0 1 HJAF COc1ccc([C@]2(CC(=O)C(F)(F)F)c3c(F)cccc3C[C@H]3CCCN32)cc1 963095630 DEINYCIMFZBARZ-IIBYNOLFSA-N 407.407 4.620 0 1 HJAF COc1cc2ccc([C@H](O)c3ccc4c(c3OC)C=CC(C)(C)O4)nc2cc1OC 1772610573 XUBJQCKYERYPSK-JOCHJYFZSA-N 407.466 4.527 0 1 HJAF CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nncn32)C1 1772616944 PPHWHBOEIJYHID-LBPRGKRZSA-N 412.946 4.899 0 1 HJAF Cn1cc(C2CCC(C(C)(C)C)CC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857571076 UPNXDPWMHPNHLD-UHFFFAOYSA-N 416.587 4.720 0 1 HJAF O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc(Cc3ccccc3)o1)N(c1ncccn1)C2 1857639532 UACYKFSWCSAESX-XMMPIXPASA-N 420.472 4.612 0 1 HJAF C[C@@H]1OC(=O)[C@@H]2[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2356632138 WJSGBVFFQLYGRE-SNPKKAEYSA-N 416.602 4.773 0 1 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 772525 QPTJEJCGQBGMRF-JTHBVZDNSA-N 422.887 4.930 0 1 HJAF CCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2o1)Cc1ccccc1 6730561 CCLZIZIZAGGGGD-UHFFFAOYSA-N 401.510 4.931 0 1 HJAF CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1cccnc1 9393845 PCGNCAPUQFUBEN-TYYMKKSVSA-N 420.494 4.523 0 1 HJAF CC(C)Oc1cccc(NC(=O)c2cc([C@H]3CCOC3)c3cc(C(=N)N)ccc3c2)c1 26834764 HLWKBMWAJJZWIT-SFHVURJKSA-N 417.509 4.667 0 1 HJAF COc1ccc([C@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)cc1 29131399 PFLQVLROIVBEDU-XMMPIXPASA-N 409.551 4.648 0 1 HJAF CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 29213232 LXMSZDCAJNLERA-KYIDXULCSA-N 416.583 4.852 0 1 HJAF COc1ccc([C@]2(Cc3ccccn3)C(=O)Nc3ccccc32)cc1OC1CCCC1 29472118 WXCYERGAHRNFJP-SANMLTNESA-N 414.505 4.893 0 1 HJAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCCC4)nc3[C@@H](C)[C@@H]21 33873987 ZNSKOGGQUHKREZ-IDDADPJPSA-N 402.560 4.525 0 1 HJAF CCCCCc1ccc(-c2cn(-c3ccc(O)c(C(=O)N4CCCCC4)c3)nn2)cc1 71296887 AWPCVEBFDJJVLH-UHFFFAOYSA-N 418.541 4.999 0 1 HJAF COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1OC 72181749 RKSBJQZDPAGEQW-QNLIWRIUSA-N 416.470 4.535 0 1 HJAF CCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 82136353 NDLTVKPOONAWCV-UHFFFAOYSA-N 410.468 4.606 0 1 HJAF CC(C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 96932384 LTIXWBAEXQEUHG-INIZCTEOSA-N 415.704 4.746 0 1 HJAF Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1ccc(Cl)cc1 103280651 XIQFHGWMHOGRLW-UHFFFAOYSA-N 413.865 4.596 0 1 HJAF CC(C)(C)Cn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 116936961 PTOAOEQLXBBCMP-JOCHJYFZSA-N 416.443 4.867 0 1 HJAF CC(C)(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 141986044 FIYSRWMQFCJCGA-OAQYLSRUSA-N 402.466 4.883 0 1 HJAF C[C@H](O)[C@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1cccc(Cl)c1 169316973 HLMGGYGKJKEYHC-YQVWRLOYSA-N 400.943 4.672 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C 169323880 CJNYDPBXKCGRGK-LIPWCYRHSA-N 402.623 4.580 0 1 HJAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@@H](O)c3ccccc3C)CC2)cc1 169326426 YJEZGYWKSYGGGS-SXOMAYOGSA-N 416.565 4.596 0 1 HJAF C[C@]12CC[C@@H]3[C@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 253851714 KGFRQVJXQKRIGD-AOINAHSXSA-N 402.538 4.733 0 1 HJAF COc1cc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2cc1C 586930790 HBRARIPVSFMIHF-UHFFFAOYSA-N 421.522 4.680 0 1 HJAF Brc1ccc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCO5)cs2)s1 587020157 ZEPVAPUCNSBODK-UHFFFAOYSA-N 420.313 4.830 0 1 HJAF Cc1ccc2c3c(c4c(nc13)CCN(C(=O)c1ccccc1)CC4)-c1ccccc1C2=O 587096043 CAVPTQRMWUDLCQ-UHFFFAOYSA-N 418.496 4.996 0 1 HJAF O=C1COc2cc3[nH]c(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3cc2N1 587109143 BMTNDNRSSJJUBR-UHFFFAOYSA-N 415.293 4.522 0 1 HJAF FC(F)(F)c1nc2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2[nH]1 587120449 JKTJZBOJCDJLQJ-UHFFFAOYSA-N 406.677 4.539 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)c(F)cc4[nH]3)cc2F)c1 587143363 DMRRGHGESWMDAG-UHFFFAOYSA-N 410.376 4.891 0 1 HJAF COc1ccccc1C(=O)Nc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391129 SGZSAGSLCQGXON-VWLOTQADSA-N 416.477 4.719 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3ccc(=O)oc3c1)CC2=O 587482197 CMIXFHAFEITCMI-LFPIHBKWSA-N 408.450 4.643 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575982 LRPQLIQVAWTQRU-SQJMNOBHSA-N 412.445 4.538 0 1 HJAF COc1ccc([C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587590197 BBZFGWJONSCFMU-UNGHYCQRSA-N 420.461 4.933 0 1 HJAF Cc1sc(N)c([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587614449 SLAFFOKPAVYJKN-WMZHIEFXSA-N 407.491 4.920 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc(Cl)cc2[nH]1 587655429 HAZSTIKHMFSRJL-UHFFFAOYSA-N 408.795 4.861 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2C(F)(F)F)N1 587711457 KOEQPNWQZVBHTB-ABKXIKBNSA-N 403.217 4.800 0 1 HJAF Cc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1C(F)(F)F 587718474 ZGODBCCWDPRVJW-PWCHPLFNSA-N 409.246 4.996 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2N)N1 587747237 KWZAPMZAFWODLQ-PEBXRYMYSA-N 411.318 4.997 0 1 HJAF Cc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779764 VUSIVLBUKQOSLH-NSPYISDASA-N 401.279 4.774 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799366 RZCXRHIKZNNEJZ-RXSFTSLZSA-N 420.322 4.565 0 1 HJAF CC[C@]1(c2ccc(C(=O)OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812488 ZOLRYMMMJVGQEZ-MPBGBICISA-N 406.295 4.563 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC[C@@H]3CCCO3)cc2)N1 587834712 SBPULSGBDDQBEN-JRQSSSKMSA-N 420.322 4.770 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc3c(c2)OCO3)N1 587836540 WHYFOEPTGGLWNS-NVVLCOBLSA-N 404.279 4.780 0 1 HJAF CCC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837120 ZLUQRKQOHYALJU-ZSEKCTLFSA-N 420.322 4.937 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1nc2ccccc2[nH]1 587862995 AAMPUKQOWATHON-UHFFFAOYSA-N 414.387 4.727 0 1 HJAF COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccccn3)c2)cn1 653702455 WSIYMSDMJXHSJI-UHFFFAOYSA-N 404.348 4.695 0 1 HJAF C[C@]1(CC(=O)c2ccccc2F)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958995 PVTHDWMJPYCREZ-OAQYLSRUSA-N 421.434 4.984 0 1 HJAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)cc2)o1 201461960 VAEWCVVYVMRACI-UHFFFAOYSA-N 403.887 4.609 0 3 HJAF CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)(C)C 1491378 JNYINEBNIROMEU-MJGOQNOKSA-N 410.566 4.617 0 1 HJAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl 2484792 HPKZMOSWMLVHND-UHFFFAOYSA-N 418.852 4.576 0 1 HJAF COc1ccc(C2=Nc3ccc(OC(F)(F)F)cc3NC(c3cccnc3)=N2)cc1 8612979 JTOCESGWBFNIGY-UHFFFAOYSA-N 412.371 4.939 0 1 HJAF CNc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 13488002 OZTVZSHZOQCELD-UNMCSNQZSA-N 421.610 4.865 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 13803045 ZRBWETQWWWTCTE-UHFFFAOYSA-N 408.505 4.739 0 1 HJAF C=CC(C)(C)[C@]12CC(=O)N(C)[C@@H]1N(CC=C(C)C)c1cc(Br)ccc12 15217239 KZILSQFDRARYBL-CTNGQTDRSA-N 403.364 4.874 0 1 HJAF biogenic O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1cccc(Br)n1 27625691 SFMQMMHUFLKDAG-CQSZACIVSA-N 404.116 4.930 0 1 HJAF O=C(O)/C(=C/c1ccc(-c2ccc(C(F)(F)F)cc2)o1)NC(=O)c1ccccc1 28520890 BPNOXPPXIRQADF-ATVHPVEESA-N 401.340 4.821 0 1 HJAF O=C(NC[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1 28523880 AYHZXPXNRGUEPG-XMMPIXPASA-N 418.516 4.511 0 1 HJAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC[C@@H]2OC(=O)NC2=O)cc1 29311999 NDCPKMTXBSQQIX-NRFANRHFSA-N 420.465 4.577 0 1 HJAF CN1C[C@H](CNC(=O)c2ccccc2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21 34800961 OJMHZETUZYJZAI-XVWGUNQUSA-N 415.581 4.855 0 1 HJAF CCCC[C@@H]1CN=C2N(CC[C@H]3C[C@H]4CC[C@@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21 40410988 KWTDWBFTETWUMK-OEYYQIPYSA-N 409.618 4.979 0 1 HJAF O=C(Nc1ccc(Cl)cc1F)N1CCC(NC2C3CC4CC(C3)CC2C4)CC1 40893199 HAHVJZYYIZLSRB-UHFFFAOYSA-N 405.945 4.890 0 1 HJAF O=C1Cc2ccccc2N1CCCCCN1CCN(c2cccc3ccccc23)CC1 40980531 AWHISEXWZNIVLS-UHFFFAOYSA-N 413.565 4.721 0 1 HJAF CC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cc[nH]c4nc(=O)cnc3-4)c2)c1 58541552 GNSUEEXVDRGUTI-UHFFFAOYSA-N 414.465 4.612 0 1 HJAF O=C(c1ccccc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72185713 VLHIZSUFXUYCAH-HSZRJFAPSA-N 423.919 4.858 0 1 HJAF CC[C@H](C)[C@H](N)C(=O)N[C@H](CC)P(=O)(Oc1ccccc1)Oc1ccccc1 96167896 RDUZJAJYHSJVQI-VDGAXYAQSA-N 404.447 4.563 0 1 HJAF CN(C)CCOc1ccc2c(c1)COc1cc(Nc3ccc(F)cc3F)ccc1C2=O 103292979 SMVYKQCSLCHIDB-UHFFFAOYSA-N 424.447 4.772 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccc2nccnc2c1 116815134 JHUUUHBVXPRICU-UHFFFAOYSA-N 423.398 4.964 0 1 HJAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@H](O)c3ccc(C)cc3)CC2)cc1 169327146 IYMXQEGISZYEID-RRPNLBNLSA-N 416.565 4.596 0 1 HJAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc4ccccc4c3)C2)cc1 169336319 LZCXIOWBIXKXME-NRFANRHFSA-N 401.491 4.629 0 1 HJAF Fc1ccc2c(c1)c1c(n2CCCOc2cccc(Br)c2)CCNC1 169350525 VBYDVDIHAUHNBS-UHFFFAOYSA-N 403.295 4.658 0 1 HJAF S=C1N=C2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@H](c2ccc(Cl)cc2)N1 169729949 WTDZWVHMLBZQEY-OZNDBLHSSA-N 402.350 4.667 0 1 HJAF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)C(=O)O[C@]4(O)C[C@@]3(C)O 207691603 KNMOPFLBPXTWRO-QQPVYFFASA-N 400.559 4.530 0 1 HJAF O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1ccc2ccccc2c1 299837780 KSTAZGPUGYBZCK-SFHVURJKSA-N 404.413 4.894 0 1 HJAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H](O)c6ccccc65)[nH]c4c3)o2)cc1 586905040 XPQLDLYSRHAMLH-KNQAVFIVSA-N 424.460 4.858 0 1 HJAF CC(=O)Oc1ccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 586990890 HPKFBCVOTBYGOI-UHFFFAOYSA-N 409.441 4.976 0 1 HJAF O=C1CSc2sc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2N1 586993127 IHGPZTZYIUVUAM-UHFFFAOYSA-N 416.483 4.925 0 1 HJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587011134 DBEXLXGDTDADCN-UHFFFAOYSA-N 403.916 4.719 0 1 HJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)c21 587032732 ODPCWRBWUSFUPU-ZDUSSCGKSA-N 411.552 4.925 0 1 HJAF O=c1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059896 YRSBGLUQONYTNZ-UHFFFAOYSA-N 410.264 4.623 0 1 HJAF Clc1ccc(C2=C[C@@H](c3nc4c(Cl)c(Br)cnc4[nH]3)ON2)cc1 587075126 CWCVWLPCRGCJPP-NSHDSACASA-N 412.074 4.644 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)c(N)c4)nc13)-c1ccccc1C2=O 587099061 ZINQCTCEOFNNDU-UHFFFAOYSA-N 421.500 4.840 0 1 HJAF Cc1cc(Br)cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131959 GTNZWKHDFVWUGE-LLVKDONJSA-N 416.266 4.603 0 1 HJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(F)cc2[nH]1 587147739 RDAVHOYWCISPLM-UHFFFAOYSA-N 407.193 4.810 0 1 HJAF Cc1nc(Cl)c(I)cc1-c1cc2c3c(cccc3n1)CC2 587213366 QUZQYWQWQITSED-UHFFFAOYSA-N 406.654 4.962 0 1 HJAF CCOC(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353428 ZFBGUYGMZNVXGC-OFNKIYASSA-N 400.446 4.628 0 1 HJAF COCOc1cccc([C@@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516793 ZTIJJQKIWCEFKX-SANMLTNESA-N 415.489 4.852 0 1 HJAF CCc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656819 QKPOASRDUGDYCN-UHFFFAOYSA-N 420.415 4.623 0 1 HJAF COc1cc(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587809760 VDGGVVMHCBOLCL-YORCRCJLSA-N 422.294 4.600 0 1 HJAF CCCCSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587845855 ONHDKBPETIGTEC-APPDUMDISA-N 410.356 4.894 0 1 HJAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(Cl)c(O)c(Cl)c2)N1 962698624 NHTDORGINZCYCD-KGLIPLIRSA-N 424.177 4.545 0 1 HJAF Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729852 KBZNAQXKZUVLPF-PXNSSMCTSA-N 424.850 4.538 0 1 HJAF CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1cccs1 61928848 DVGUCSGETKKJAO-UHFFFAOYSA-N 421.522 4.693 0 3 HJAF CC(C)CN(CC(C)C)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 1533861 WIRQBKCANYJGBG-UHFFFAOYSA-N 411.612 4.914 0 1 HJAF O=S(=O)(c1ccccc1)N1N=C2c3ccccc3CCC[C@H]2[C@@H]1c1ccccc1 5843820 QDRBGPVPJMBSFD-VWNXMTODSA-N 402.519 4.789 0 1 HJAF O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc21 11536229 WGSTWZUKTXSKQE-UHFFFAOYSA-N 410.804 4.997 0 1 HJAF O=C1CCCCC[C@@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927478 SFFNAPDJGZFCCK-RUZDIDTESA-N 420.597 4.560 0 1 HJAF CC(C)(Cc1c[nH]c2ccccc12)NC[C@@H](O)COc1ccccc1C(F)(F)F 26732469 JVQVNKOTGWQYMC-MRXNPFEDSA-N 406.448 4.537 0 1 HJAF Cc1nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c(=O)n([C@H](C)C2CC2)n1 49054426 JFDWKSPMJVWWFP-SSDOTTSWSA-N 423.222 4.867 0 1 HJAF COc1ccc(CCNc2cc(-c3cccc(-c4cc(C)no4)c3)nc(OC)n2)cc1 66102678 GKSSZYQAUXFHQH-UHFFFAOYSA-N 416.481 4.779 0 1 HJAF COc1ccc2c(c1)CC[C@]2(Cc1ccc(C(F)(F)F)cc1)c1cn(C)c(N)n1 115350254 AJUQOSZFBOVETL-OAQYLSRUSA-N 401.432 4.505 0 1 HJAF O=C(c1ccc(Cl)cc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115655449 UIXIYERWLICEGD-HSZRJFAPSA-N 423.299 4.806 0 1 HJAF O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 261087137 CUSVWNVJYBQYIM-GSXCWMCISA-N 413.468 4.537 0 1 HJAF CC(C)CCOc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br 586889849 HNUAYLOHLORJPP-SFHVURJKSA-N 405.292 4.538 0 1 HJAF Clc1ccc(OCc2nc3ccc(Br)nc3[nH]2)c(Br)c1 586977388 MUAUVKSZPUFVRD-UHFFFAOYSA-N 417.488 4.715 0 1 HJAF Fc1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996124 RUJLXRYTHIPCIT-UHFFFAOYSA-N 413.088 4.882 0 1 HJAF COC(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587002669 YEXAKHKCJKIODG-UHFFFAOYSA-N 411.255 4.844 0 1 HJAF COC(=O)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cn1 587068830 ZVVJOIJGNPLKOM-UHFFFAOYSA-N 419.828 4.511 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239731 NWTWFCIDSRSUHP-SAZGQGMLSA-N 423.916 4.910 0 1 HJAF Nc1ccc2c(c1)-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577296 JZDHLXJNTONOMH-JYFHCDHNSA-N 407.425 4.860 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC21CCOCC1 587605789 AWSJCQJEPSKFOE-GJZUVCINSA-N 414.457 4.602 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccc2Br)N1 587678749 LNZZWFPFBXQGFQ-FVMDXXJSSA-N 414.116 4.543 0 1 HJAF CCC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810946 YNFWZBNDSZKEHX-YBTHPKLGSA-N 422.294 4.536 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1cc(F)c(Br)cc1C)N(C)[C@H](C)C2 962575006 VFURMIBQKDTTFX-BLVKFPJESA-N 408.311 4.880 0 1 HJAF Cc1cc([C@]2(c3ccc(C)c(C)c3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ccn1 962760574 GBVHPTLNNNRWMQ-UPVQGACJSA-N 424.466 4.944 0 1 HJAF O=C(O)c1ccc([C@@]2(c3cccc(O)c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963105358 MDNWMUTXFAIAQR-SQJMNOBHSA-N 403.453 4.542 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C(=O)[C@H](c1ccccc1O)Oc1ccccc12 963226222 GZCRDQCGVUADNJ-BOVDGQEDSA-N 413.517 4.995 0 1 HJAF COc1cc2ccc(C(=O)c3ccc4c(c3OC)C=CC(C)(C)O4)nc2cc1OC 1772587223 BOIHKEGIXOJCGX-UHFFFAOYSA-N 405.450 4.676 0 1 HJAF C[C@H](C(=O)NCc1ccccn1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857744391 JSZGBCFJTCDDGU-AWEZNQCLSA-N 400.404 4.659 0 1 HJAF C[C@H]1CC[C@]2(C[C@@H]3[C@H](O2)[C@H](O)[C@H]2[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)OC1 2356572117 PJBFBXXRUPKPJC-PIRLACOISA-N 418.618 4.519 0 1 HJAF COc1ccc(C[C@H](N)c2csc(NC(=O)c3cc(C(C)(C)C)oc3C)n2)cc1 61927359 WFVFODGQQLPUHN-KRWDZBQOSA-N 413.543 4.845 0 3 HJAF CCOc1noc2cc(OCCCC3CCN(c4ccc(Cl)nn4)CC3)ccc12 3633456 LTKKWCASTGOYQC-UHFFFAOYSA-N 416.909 4.746 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCc1ccccc1N 4080445 VZBRFDOSAVIHKJ-DNQXCXABSA-N 423.557 4.998 0 1 HJAF COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2 5713049 LINCQZTYIFFOHQ-MHZLTWQESA-N 400.518 4.537 0 1 HJAF COc1cc(OC)c([C@H]2[C@H](C)[C@@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 6031828 WCERJEZPIONOJU-IBODLXAWSA-N 416.514 4.891 0 1 HJAF endogenous,in-man CCc1c(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CCCCC2)ccc2c1OCCO2 13490034 PXZUFZXCCVLGIP-UHFFFAOYSA-N 421.537 4.953 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26384355 GLSZMIVCBQXSEA-BKGOHCFPSA-N 402.623 4.725 0 1 HJAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(C(F)(F)F)c1 26577202 NZSMHVGBSNDKDO-SXWSKBOKSA-N 416.421 4.771 0 1 HJAF C[C@@](O)([C@@H]1CCCCN1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34778522 DXHPRGWXTHSUDR-VPHKHLIQSA-N 403.651 4.899 0 1 HJAF O=C(O)c1cccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 40845733 ICJSWPZZXISAKN-ZEQRLZLVSA-N 421.924 4.886 0 1 HJAF C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1C(=O)c1ccccc1 49055189 YNEHHYSBEUXFNE-LJQANCHMSA-N 408.505 4.648 0 1 HJAF Cc1cnc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)s1 84619815 XXERHWKTWZMSCE-UHFFFAOYSA-N 421.570 4.549 0 1 HJAF O=C(NC(=S)Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 103217559 XXCZOBBDHUWLSJ-UHFFFAOYSA-N 403.223 4.595 0 1 HJAF COc1ccc(Nn2c(SCC(=O)c3ccc(F)c(F)c3)nc(C)c2C)cc1 103244275 TXZBYROCOFTCKW-UHFFFAOYSA-N 403.454 4.637 0 1 HJAF Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CC[C@@H](O)C4)cc3)cc12 114710987 CBRJCZVPSPSWPK-LJQANCHMSA-N 424.570 4.735 0 1 HJAF Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3cccnc3)c2)ccc1F 138035554 MMOVYTMEVBLPLX-UHFFFAOYSA-N 424.439 4.553 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccccc2O1 143517580 YUGISKMSMHJEKZ-LJQANCHMSA-N 407.514 4.800 0 1 HJAF COc1ccc(C(=O)[C@@H]2C[C@H]2CN(C)CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 169306125 QFZSCPSGXHGLGJ-YRISNDGFSA-N 422.352 4.876 0 1 HJAF O=c1oc2ccc(Cl)cc2n1CN1CCC[C@H]1c1cccc(Br)c1 169341768 YSFJFEBGDGOAEK-HNNXBMFYSA-N 407.695 4.805 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713519 GZGRNURZGJTHEM-DVYDIAMOSA-N 402.623 4.725 0 1 HJAF Cn1ccc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21 219747855 NTXCJZFNTZRNLL-VWLOTQADSA-N 412.533 4.643 0 1 HJAF C[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1 223678238 NTHNCFONTLLTMN-CRAIPNDOSA-N 416.554 4.700 0 1 HJAF CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299884629 UEFFNNPUQIERNK-AGKXRFJRSA-N 406.574 4.709 0 1 HJAF COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1OC 586882489 VXPRDAXENQYZOC-UHFFFAOYSA-N 414.461 4.873 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)cnc4[nH]3)c(=O)oc2c1C 586917826 KOAIQNHKWCJVCM-UHFFFAOYSA-N 403.482 4.925 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3c(C)nccc3[nH]2)cc1OC 587057192 OGLSXHWSGRZLTG-UHFFFAOYSA-N 422.872 4.856 0 1 HJAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OC)cc3[nH]2)c1C 587166277 WHOZKELOVLAJIC-UHFFFAOYSA-N 421.472 4.907 0 1 HJAF C[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173754 IQYXYBCYDVAYKP-XMMPIXPASA-N 400.409 4.561 0 1 HJAF O=C(O)[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587353952 PRDPUAYBCOEEKM-WSUBETFTSA-N 418.420 4.748 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c3c(c1)CCO3)CC2=O 587458165 GZBIHHYSLFPASR-GOSISDBHSA-N 403.272 4.749 0 1 HJAF CCOc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1CC(C)C 587582570 PXKIEMRAKWSAOF-OFNKIYASSA-N 422.481 4.655 0 1 HJAF CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 587587427 MVNPSUBEVNGOCP-AUSIDOKSSA-N 400.434 4.866 0 1 HJAF O=C(O)CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602640 IYDSSLFKBHXSFH-XUZZJYLKSA-N 404.418 4.504 0 1 HJAF Oc1ncnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 587783694 FGHFFMXZLNQGMB-UHFFFAOYSA-N 408.461 4.895 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587964994 LOGIGHWYAGUUBC-UHFFFAOYSA-N 401.304 4.952 0 1 HJAF Cn1c([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)nc2ccc(Cl)cc21 962716049 QCPMLFFTZMWHAF-OYHNWAKOSA-N 415.965 4.993 0 1 HJAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cccnc4F)cnc3[nH]2)c1)N1CCCC1 1857574499 NDUMUAYZLGFJCF-UHFFFAOYSA-N 420.423 4.593 0 1 HJAF O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1911581270 OAXNDSJPJLNUFM-DHDCSXOGSA-N 407.369 4.640 0 1 HJAF CC(=O)Nc1cccc(-c2ccc3c(c2)N(Cc2cc(F)cc(F)c2)C(=O)COC3)c1 205210249 NSNZEWHDIUZKJS-UHFFFAOYSA-N 422.431 4.654 0 3 HJAF CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 592938 NZESAJWMQSEBNZ-UHFFFAOYSA-N 411.310 4.648 0 1 HJAF O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl 1884481 PWHOLRVRXRMPMG-UHFFFAOYSA-N 419.648 4.768 0 1 HJAF biogenic Oc1cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2[nH]1 13828178 CARRCRVKWDEWCD-UHFFFAOYSA-N 412.946 4.501 0 1 HJAF O=C1NC(=O)/C(=C/c2ccc(OCCc3csc(-c4ccccc4)n3)cc2)S1 26577344 JSBLLFKLOVKNPZ-PDGQHHTCSA-N 408.504 4.756 0 1 HJAF CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)cc1 26577610 DDKWZYLMFUSLMA-UHFFFAOYSA-N 407.823 4.842 0 1 HJAF Nc1cccc(Cl)c1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28523723 QRCZNZYFHZKQAP-UYRXBGFRSA-N 408.841 4.570 0 1 HJAF O=C(O)CN(Cc1ccccc1)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1 29403698 MBYILAJXNGZGGZ-UHFFFAOYSA-N 424.469 4.560 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](C4=CC(=O)O[C@@H]4O)O[C@@]3(C)CC[C@H]21 38838147 NSNPNVMHENRPQH-LJRXIZIWSA-N 402.575 4.995 0 1 HJAF CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40394003 CLBACWHUNARQPY-GOSISDBHSA-N 400.269 4.513 0 1 HJAF Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(Cl)nc1 40423697 DLZARUDZVNDGHQ-UHFFFAOYSA-N 402.329 4.977 0 1 HJAF CC1=C[C@@H](COCc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 66138987 XUVNTVYKXBTGGX-KKSFZXQISA-N 414.299 4.549 0 1 HJAF CO[C@H](C)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638876 NJQFICBDDSVJKM-AQNXPRMDSA-N 415.574 4.785 0 1 HJAF CCCCOc1ccc(/C=C(\C)Cn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1 198877109 OVSRAUXLWHTCSQ-XDJHFCHBSA-N 422.577 4.821 0 1 HJAF COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@H](O)c1ccccc1)[C@@H]3N(C)CC2 254194388 YHUUHBJAFHIHMI-ISJGIBHGSA-N 401.506 4.731 0 1 HJAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3=CCCC3)[nH]c2c1 586883425 JMKQAWQYVUFNSW-UHFFFAOYSA-N 407.417 4.950 0 1 HJAF CC1(C)OC(=O)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586906404 MCQBAIRFKUHJLV-ZDUSSCGKSA-N 415.287 4.714 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 586971948 CAUNYUJPDQLGOG-QGZVFWFLSA-N 422.323 4.575 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2cccc(Cl)c2[nH]1)c1ccc(F)cc1 587172083 YPOIOLTYXWCNAY-UHFFFAOYSA-N 401.850 4.823 0 1 HJAF C[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328726 CBQGRLGHAACZKL-SIKLNZKXSA-N 400.352 4.789 0 1 HJAF CCOC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587344590 DDNUNFNHGHMXRI-RDGATRHJSA-N 420.436 4.982 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(-c3ccccc3)cc1)O2 587407361 IUJSIYWQFJKGGP-VWLOTQADSA-N 401.462 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc(Br)cc13)CC2=O 587460643 VGOSYULWZASNOV-KRWDZBQOSA-N 401.260 4.690 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(C)cc1)C(=O)OCC)CC2=O 587486170 YMICODJUZHSODP-NBGIEHNGSA-N 410.510 4.799 0 1 HJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(F)F 587507250 PKDCECJHOORCJC-QGZVFWFLSA-N 404.409 4.891 0 1 HJAF CC1(C)C[C@@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583780 UVUQBNTWDGDFJA-GJZUVCINSA-N 415.489 4.777 0 1 HJAF O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 587588094 OVWOLOUVYMKIGA-ZEQKJWHPSA-N 423.424 4.970 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCN(Cc1ccccc1)C2 587597010 TVRUUFHEZAVOHO-BVAGGSTKSA-N 415.489 4.779 0 1 HJAF C[C@H](Oc1ccccc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657271 SZFTXZRTVJTFGZ-AWEZNQCLSA-N 422.843 4.964 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccccc2)N1 587825448 DKEXOGLDDPUJCS-RBZFPXEDSA-N 406.295 4.621 0 1 HJAF Cc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587831190 WJPRJKDFEGNZMY-SPLOXXLWSA-N 420.322 4.929 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCc1ccc(Cl)cc1 587861293 RDXKLZNKBNTLBM-UHFFFAOYSA-N 409.795 4.989 0 1 HJAF Cc1cc2c(cc1F)[C@H](c1cc(I)ccc1Cl)NCC2 962150231 YDKGLUOMZOYMTB-MRXNPFEDSA-N 401.650 4.627 0 1 HJAF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@H]1C(C)C 962995819 OXLBMFOWPPFJNH-HSZRJFAPSA-N 415.917 4.712 0 1 HJAF CCOC(=O)CC[C@@]1(c2ccccc2Br)NCCc2c1sc(C)c2C 963004373 CHCGJYOJKFQSJL-FQEVSTJZSA-N 422.388 4.860 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](c1ccc(C)cc1)([C@@H](O)c1ccc(C)cc1)NCC3 963047363 OHJXLQPXGQJSKG-NSOVKSMOSA-N 424.544 4.983 0 1 HJAF O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CCCCO4)CC3)cc2)cc1 1772604883 JIVBMSPODOCBON-UHFFFAOYSA-N 423.553 4.818 0 1 HJAF O=C(NC1CC(F)(F)C1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1 1772621257 SUNGWWJHIFLEDM-UHFFFAOYSA-N 405.351 4.887 0 1 HJAF O=C1c2cc(-c3ccc(Cl)c(F)c3)c(F)cc2OCCN1Cc1ncccc1F 1772649572 BUMKRNZIRDZECE-UHFFFAOYSA-N 418.802 4.854 0 1 HJAF COc1ccccc1/C=C/c1nc2ccccc2c(=NCc2ccc3c(c2)OCO3)[nH]1 1857569708 OQZPRUMMQGKOFV-ACCUITESSA-N 411.461 4.572 0 1 HJAF COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccccc2)c1=O 756680 HJMDBLIWBGWURI-UHFFFAOYSA-N 413.549 4.698 0 3 HJAF CCOCCCN(Cc1ccco1)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 8671707 XKFIIQRBGZOBEQ-UHFFFAOYSA-N 424.522 4.713 0 3 HJAF CN(C)Cc1c(Br)[nH]c2cc(Br)c(Br)cc12 5965022 CWEKFTKXPSRWJZ-UHFFFAOYSA-N 410.935 4.517 0 1 HJAF biogenic COc1ccc(C(SCCO)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 6040216 KDSJTBWSUOVMRF-UHFFFAOYSA-N 410.535 4.730 0 1 HJAF CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)[C@H](C)C2CCCCC2)cc1 26266082 AHAIBSBRJNQTPQ-GOSISDBHSA-N 419.591 4.748 0 1 HJAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12 49035639 YBTKSWFANAPRIN-LJQANCHMSA-N 408.505 4.648 0 1 HJAF CN1CCC[C@H](n2cc(S(=O)(=O)c3cccc4ccccc34)c3ccccc32)C1 49089788 CDXBGFFPULMAJJ-IBGZPJMESA-N 404.535 4.894 0 1 HJAF O=C(N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)c1ccccc1Oc1ccccc1 62241494 XZCDKMHIEHVAFO-NRFANRHFSA-N 418.424 4.525 0 1 HJAF CCCCCOc1cc(C)c2c(N)c(C(=O)NCc3ccc(OC)cc3)sc2n1 70454777 ZMAUCPORGKVXMZ-UHFFFAOYSA-N 413.543 4.695 0 1 HJAF CC[C@@H](NC(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1 72117033 IOAZBLSDOVWYTI-LJQANCHMSA-N 417.534 4.696 0 1 HJAF CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1 84705569 RXTFXQUMCIINQD-CRAIPNDOSA-N 417.435 4.539 0 1 HJAF CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)CC1 105186029 HYHYWPLNOFVMDI-HDICACEKSA-N 410.537 4.637 0 1 HJAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccc2)cc1OC 200428497 ZGTPKHMMHHFISB-SQJMNOBHSA-N 403.478 4.679 0 1 HJAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CCC4)cc3)C2)cc1 219219396 QUUJUPNQYDYUTO-HOYKHHGWSA-N 408.542 4.515 0 1 HJAF CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)[C@@H](OC(C)=O)C[C@@]12C 238742403 NOSTVBGZPZNMAI-RPNJVSKCSA-N 406.563 4.587 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](/C=C/C3=CC(=O)O[C@@H]3O)[C@](C)(O)CC[C@@H]12 257397773 CNXOWEJEIZUYTD-XDUUXKLTSA-N 402.575 4.754 0 1 HJAF Cc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Cl 587002437 FJWZYECWEMJYPY-SNVBAGLBSA-N 405.679 4.923 0 1 HJAF CCN1C(=O)C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062152 UTBUEKGNKQCXSS-SZNDQCEHSA-N 423.879 4.618 0 1 HJAF COc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cn1 587085969 ABSVDGQZCXNXIG-BQYQJAHWSA-N 414.296 4.997 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Cl)ccnc2[nH]1 587231047 LIYIMKWAAXDUMS-UHFFFAOYSA-N 407.861 4.501 0 1 HJAF CCOC(=O)[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353473 ZOIXPBXSOXLBCQ-PTLVVNQVSA-N 412.457 4.772 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1F)(C1CC1)[C@@H](C2)C3=O 587426424 NLTPJOSXXAZGHU-MGPUTAFESA-N 403.247 4.650 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O 587442791 LWFYOKDEWNWWOJ-FNZWTVRRSA-N 416.473 4.946 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C1CCC1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471907 WVUBCMGUGLAPFP-LFVRLGFBSA-N 403.519 4.762 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)CC2=O 587488909 SJSUUDDOAPTGMX-QFIPXVFZSA-N 416.539 4.871 0 1 HJAF Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587571497 LHIBQOMIIANBEN-XTCZTEAPSA-N 401.462 4.633 0 1 HJAF CCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 587585301 CZFQXXYRVMLHQB-REWPJTCUSA-N 414.417 4.708 0 1 HJAF COc1cccc(C[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602843 ZIFFQHNNZVMYDM-RDGATRHJSA-N 402.446 4.754 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1OC(=O)[C@@H]2C 587692151 AAFKSCXRRMBAQR-QGRDJGHBSA-N 424.697 4.575 0 1 HJAF COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587692728 LOGNOZIMOMNFIR-NIVTXAMTSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)nc2O)N1 587712247 KEMRCVHHJDQSHH-PWJLMRLQSA-N 419.216 4.505 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3ccnc3)c(F)c2)N1 587725729 RUOGZUAIQDLFLS-ODXCJYRJSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2NC(=O)C(C)(C)C)N1 587741475 HPBQSIZWSSWNGY-GTNSWQLSSA-N 420.326 4.591 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN([C@H]3CCC[C@@H](C)C3)CC2)N1 587765927 FEFSQCXWMCBEBK-VYDXJSESSA-N 409.387 4.992 0 1 HJAF CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C 587769925 PAWSQZGQSQFXOR-FVINQWEUSA-N 405.311 4.600 0 1 HJAF COCc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587802452 SBQPCNQJHSYUCU-YUNKPMOVSA-N 408.311 4.541 0 1 HJAF CC(C)[C@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832364 BPCJMJQCQPLUIB-YEJXKQKISA-N 404.323 4.957 0 1 HJAF 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YKHGDXHGZHHVCY-UHFFFAOYSA-N 413.637 4.941 0 1 HJAF CC1=C[C@H](CNC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 2356835609 KTILFNYZAVEJOJ-MIZPHKNDSA-N 408.590 4.952 0 1 HJAF CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccc(Cl)cc3)no2)(C(=O)O)CC1 15934873 CJEIOHLLURWDLL-UHFFFAOYSA-N 420.893 4.639 0 3 HJAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@@H](O)CC)c1 774723 HUCVKWUSEFTNRW-HNNXBMFYSA-N 414.889 4.561 0 1 HJAF COc1ccc(C[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768674 FMXKIHKXGRGBQG-WIYYLYMNSA-N 419.308 4.710 0 1 HJAF COc1ccc(N2C(/C=C/c3cccc(OC)c3O)=Nc3ccccc3[C@H]2O)cc1 40862326 JOXVMLYZPMYAQG-USXRGHEGSA-N 402.450 4.664 0 1 HJAF CCO[C@@H](Cc1ccc(OCc2nc(-c3sccc3C)oc2C)cc1)C(=O)O 72106199 GJPAJPKOSWXVGX-SFHVURJKSA-N 401.484 4.631 0 1 HJAF CNc1nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc2n1Cc1ccco1 82081935 NLIZABFGPMHMNC-UHFFFAOYSA-N 403.364 4.757 0 1 HJAF COc1cc2nc(NCc3ccc(Cl)cc3)nc(NCC(C)C)c2cc1OC 82128661 IZGUEBKFFOGBBM-UHFFFAOYSA-N 400.910 4.980 0 1 HJAF c1ccc2c(c1)[nH]c1cccc(OC[C@@H]3CN(CCOC4CCCCC4)CCO3)c12 96939992 UFPVWNPGDGIQPX-FQEVSTJZSA-N 408.542 4.750 0 1 HJAF CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1[C@@H](C)O 115232113 MZUGRMXWVNJWLA-GFCCVEGCSA-N 411.495 4.589 0 1 HJAF Cc1ccc(-c2ncco2)c(C(=O)N2C[C@@H](COc3ccc(F)cn3)CCC[C@@H]2C)c1 118667461 HFZAUIBSVWMNMS-ROUUACIJSA-N 423.488 4.894 0 1 HJAF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118913415 ZHUOOEGSSFNTNP-ZUKJOWNNSA-N 406.607 4.566 0 1 HJAF in-vitro Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCCCc3ccccc3)cc1)C2 166877700 OTCGEXIGZVLTJX-UHFFFAOYSA-N 413.521 4.905 0 1 HJAF CC[C@H]1C[C@@]2(C[C@@H](CC)N1)C(=O)N(CCCc1ccccc1)C(=O)N2c1ccccc1 253664613 GSYOURVKZLLEOD-PHTYHVAFSA-N 419.569 4.767 0 1 HJAF COc1cncc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586997840 FGYCDYGTEWEZKQ-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF Fc1c(F)c(F)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1F 587018713 MDXVREJYEVCNEH-UHFFFAOYSA-N 421.375 4.605 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(F)c(C)c3[nH]2)c1 587048501 JDYHPHYNZLLMGZ-UHFFFAOYSA-N 416.884 4.974 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1 587123163 HAEZUEVCBQWVPH-UPONEAKYSA-N 418.192 4.636 0 1 HJAF COc1ccc(Cl)c(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2F)c1 587143742 YKVPKJOWRPBXSZ-UHFFFAOYSA-N 404.232 4.506 0 1 HJAF Fc1ccc(Oc2ccc(-c3nc4c(Cl)ncnc4[nH]3)cn2)c(Br)c1 587161505 SVXAERDIFOSGBK-UHFFFAOYSA-N 420.629 4.762 0 1 HJAF Nc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc2n1 587253495 JNZYNGWSQCSYTO-UHFFFAOYSA-N 418.092 4.885 0 1 HJAF CCCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352303 WVNOSFDWDSWTRZ-JTHBVZDNSA-N 400.446 4.772 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1ccccn1 587407971 DBVLKEDNPWGIPP-NRFANRHFSA-N 406.507 4.980 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(OCC)OCC)CC2=O 587484539 SBAWDJOQKJLQMZ-QFIPXVFZSA-N 414.498 4.829 0 1 HJAF O=C1C[C@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1 587497709 GAFOQYYQLKVJQI-QRWLVFNGSA-N 421.440 4.611 0 1 HJAF O=C1C[C@@H]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514740 OONNAVWGMUXQRM-YKSBVNFPSA-N 419.521 4.948 0 1 HJAF CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587575141 BEWZZUJBGWKCJY-XUZZJYLKSA-N 403.434 4.536 0 1 HJAF COc1ccc2c(c1)C(C)(C)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599218 DGNWPKBVHULUNO-OFVILXPXSA-N 402.446 4.939 0 1 HJAF Cc1cc(Br)ncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587682789 NNCGPHLPOPHWOR-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 587755407 PGLSMZDRVJJONO-RNODOKPDSA-N 400.295 4.706 0 1 HJAF CCn1c(=O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2ccccc21 587766576 GLBWTCYISVCQNB-FKIZINRSSA-N 415.306 4.547 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587770330 PVNIZUQNEQVOHE-FABXCBLPSA-N 413.331 4.563 0 1 HJAF COC(=O)CCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587803416 ALJOAKWXFRHCQD-SPLOXXLWSA-N 420.322 4.709 0 1 HJAF Cc1cc(C)c2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)coc2c1 587837370 GESHJCAXCWHETI-YUNKPMOVSA-N 416.290 4.935 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccs3)n(C)n2)N1 587851751 JHVFHCRGOOYBQO-MLCYQJTMSA-N 406.324 4.674 0 1 HJAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3ccncc3)nc(Cl)c2C)s1 653782785 ZWNVQEUYBPXKNJ-JKSUJKDBSA-N 415.950 4.701 0 1 HJAF CN1C(=O)C[C@H]2CN[C@@H](c3c[nH]c4cc(OCc5ccccc5)ccc34)c3cccc1c32 963038604 WODCODGORJMMNL-XRHLQHRESA-N 423.516 4.890 0 1 HJAF OCc1ccc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cc1 1772585809 XLVWQBLLHTWXIH-UHFFFAOYSA-N 402.473 4.571 0 1 HJAF Cc1cccc(C(c2c(N)c3ccccc3oc2=O)c2c(N)c3ccccc3oc2=O)c1 1857581057 AGXKDZGTTFQKBP-UHFFFAOYSA-N 424.456 4.552 0 1 HJAF COc1ccc2c(=O)c(OC(=O)C3CCCCC3)c(-c3ccc4c(c3)OCO4)oc2c1 1857616531 WFQIFLZLVOTSCT-UHFFFAOYSA-N 422.433 4.683 0 1 HJAF O=C(NCCCCCCNCc1c[nH]c2ccccc12)c1cc(Cl)nc(Cl)c1 1857753068 YPGLQZHTOGJODD-UHFFFAOYSA-N 419.356 4.950 0 1 HJAF COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1Oc1c(O)cc(C)cc1COC2=O 2356600095 ZWMPRHFPFSCMAO-LJQANCHMSA-N 414.454 4.822 0 1 HJAF C[C@@H]([C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356690046 KEQHTOUDMQKLFW-LMSKWTLDSA-N 401.635 4.916 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C=CN(CC(=O)O)C4)[C@@]3(C)CC[C@@H]21 2356816117 CXTSGZSYYDXXBX-SPCXXQJASA-N 415.574 4.783 0 1 HJAF O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1 1546698 NORQFMPKBRSFFC-UHFFFAOYSA-N 421.972 4.825 0 1 HJAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)CCc1ccc(cc1)O2 5639674 BNZQLMXVMRJEMM-LMNJBCLMSA-N 423.509 4.741 0 1 HJAF Oc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc45)CC3)sc2c1 13490083 JKMUIVHVOCDFFS-IBGZPJMESA-N 422.550 4.708 0 1 HJAF CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=N)N)c2)cc1 13558002 MSVDYLHUBSEJBR-UHFFFAOYSA-N 414.509 4.773 0 1 HJAF CCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@H](C)[C@H](C)C2=O 14685289 IGEOTNLFIQJPLF-RRFJBIMHSA-N 404.503 4.868 0 1 HJAF biogenic COc1cc2ccc(=O)oc2cc1OC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 14693199 UHOOGCXWXYNESM-ZMZRDZHMSA-N 412.526 4.950 0 1 HJAF biogenic CC[C@H](C)C[C@@H](C(=O)N/C=C\c1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 29415550 WLLVVSXRRHFJGE-DNAKCKEISA-N 405.542 4.897 0 1 HJAF O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc2c(c1)OCCO2 38175691 AQQAYOPKCFULLO-UHFFFAOYSA-N 422.824 4.877 0 1 HJAF Clc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 40392880 SKSUFRGHAZAZHS-UHFFFAOYSA-N 419.714 4.849 0 1 HJAF COc1ccccc1CN(C)Cc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1 40407288 RDCJYQBTRRZJDX-UHFFFAOYSA-N 405.494 4.575 0 1 HJAF C[C@H](CNCCC(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40766764 VFZKNCMKHBNROZ-AYVCNNPJSA-N 403.607 4.627 0 1 HJAF O[C@@H](CNCc1cccc(C(F)(F)F)c1)Cn1c2c(c3ccccc31)CCCC2 73170202 IIDSADRYCAZLGR-SFHVURJKSA-N 402.460 4.690 0 1 HJAF O=C(CCN1CCC(c2ccccc2)CC1)N[C@@H](c1ccncc1)c1ccc(F)cc1 73224994 QEESXTDTHBXCMC-AREMUKBSSA-N 417.528 4.696 0 1 HJAF O=C(Nc1ccc(Br)cc1)Nc1ccc(Nc2ncnc3[nH]ncc23)cc1 95588640 JWEDGONIPHOTHT-UHFFFAOYSA-N 424.262 4.503 0 1 HJAF COc1cc(OC)cc([C@@H]2[C@@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 95592162 CSOKZZVRUVPVHH-LSQMVHIFSA-N 406.478 4.684 0 1 HJAF CCN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 200688337 NOTNDRDNSOJNKN-DEOSSOPVSA-N 413.569 4.833 0 1 HJAF C/C(=C\Cc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O)CC[C@H](O)C(C)(C)O 238787052 SVSNSNSWTYASLF-UJSOWUNPSA-N 412.482 4.617 0 1 HJAF COc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)ccc1Br 586977158 OCQDYBUVFLENKL-HYXAFXHYSA-N 409.081 4.662 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)OCCO3 587035599 WGMVUNCTQYFGKE-CQSZACIVSA-N 407.495 4.820 0 1 HJAF COc1nccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 587086466 LCIGIPGJZHXHNB-FPLPWBNLSA-N 414.296 4.997 0 1 HJAF CC(C)COc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587154031 BRHUTHPWJQNUAD-RBZFPXEDSA-N 418.310 4.841 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)O2 587396459 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COc1ccc2c(c1OC)[C@@H](c1ccc(OCc3cccnc3)cc1)N(C)[C@@H](C)C2 962636450 SHBPZULKQODCLS-BXKMTCNYSA-N 404.510 4.644 0 1 HJAF COc1ccc2c(c1OC)[C@@H](c1c3ccnc-3[nH]cc1C(F)(F)F)N(C)[C@H](C)C2 962642607 WCGKCOYWPRULRL-ZMZPIMSZSA-N 405.420 4.516 0 1 HJAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](CC)(C1CCC1)N2C(=O)OC(C)(C)C 962709760 OKWXFNMLBKWFTF-RPWUZVMVSA-N 417.521 4.882 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]31C(=O)c2ccccc2O[C@@H]1c1ccccc1 963071099 VYJSRAOFWCCFOU-KAYWLYCHSA-N 422.484 4.601 0 1 HJAF C[C@]1(c2ccc(O)cc2Cl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186293 SFBINFCBCJOBTP-CXAGYDPISA-N 420.214 4.580 0 1 HJAF CCOC(=O)[C@@H]1CCCC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832285 NEXQHQICJGIWNR-BKMJKUGQSA-N 418.537 4.841 0 1 HJAF COc1cc2nccc([C@H](O)c3ccc4c(c3OC)C=CC(C)(C)O4)c2cc1OC 1772603837 WLFYPJSCCLDWDP-QFIPXVFZSA-N 407.466 4.527 0 1 HJAF CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12 1911574678 PKYFJFXBQWQBFJ-UHFFFAOYSA-N 421.585 4.813 0 1 HJAF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@@H]3C[C@H](O)C(C)=C[C@H]3O2)O1 2356495140 GYVVQYFUUGEIMA-MQZWXTIWSA-N 400.559 4.755 0 1 HJAF COc1ccc([C@H]2/C=C/CN(CC(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 13830965 ZFPGBMOEFYDQRT-QINKANGISA-N 410.533 4.821 0 1 HJAF Cc1cccc2c(CNc3nc(-c4cc5ccccc5oc4=O)cs3)cc(=O)[nH]c12 28712484 KCSLEEZWWYGGNP-UHFFFAOYSA-N 415.474 4.679 0 1 HJAF C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 45495589 XNLMDBSIIYVFNI-MAUKXSAKSA-N 407.341 4.542 0 1 HJAF Cc1ccc(CCNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccccc3)n2)cc1 82133536 IXWRJPPSAZRIJC-UHFFFAOYSA-N 414.553 4.979 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152980 ZTOWUDHTFABPGC-UHFFFAOYSA-N 404.489 4.767 0 1 HJAF Clc1cccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)c1 82181054 ZEEZXYYGENTJOY-IBGZPJMESA-N 419.916 4.938 0 1 HJAF CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1 82216402 DSWACHBAMXPMRT-QZTJIDSGSA-N 410.537 4.637 0 1 HJAF COc1ccc(/C=C/c2cc(NC(C)=O)nc(/C=C/c3ccc(OC)cc3)n2)cc1 95595195 VFWDDJPVIMPELI-LHQAKCHOSA-N 401.466 4.793 0 1 HJAF CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H]3C=C(C(=O)OC)[C@](C(=O)CCCC)(CC3)[C@H]21 95919393 HADAHVQGKBBPPW-BAAACLHNSA-N 412.526 4.819 0 1 HJAF biogenic,in-vitro O=C(CCC1CCCCC1)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 139592979 PEVVKPDZQSQLBV-UHFFFAOYSA-N 411.521 4.678 0 1 HJAF O=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 140743604 AXEZILFCYZVDTH-UHFFFAOYSA-N 421.444 4.561 0 1 HJAF CC(=O)c1ccc2c(c1O)[C@@H]1c3c(ccc4c(=O)c(C)c(C)oc34)OC[C@@H]1C(C)(C)O2 299832576 PVHFPFFUPYERKQ-QFBILLFUSA-N 420.461 4.630 0 1 HJAF CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@@H]2c1ccc(-c2ccccc2)cc1 299872467 CLPAGHIGGHLMED-NZILNVENSA-N 402.538 4.625 0 1 HJAF Cc1nc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1Br 587132775 HFRMNOPGCLIQPO-UHFFFAOYSA-N 403.038 4.706 0 1 HJAF Fc1cc(Br)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587161511 TVQHZYAFLKJOBV-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(Br)cc2[nH]1 587258557 NKEZKQDKVVFWMF-KRWDZBQOSA-N 423.314 4.897 0 1 HJAF C[C@@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331656 DYVYSZPHGOFQGB-VWNXMTODSA-N 405.425 4.678 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccco1)[C@@H](C2)C3=O 587420622 YLGCVXGWUGAICF-HRAATJIYSA-N 411.251 4.742 0 1 HJAF O=C(O)Cn1cc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515154 JWXOQORTDDRWSP-AREMUKBSSA-N 415.489 4.875 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(F)c(F)c2F)N1 587718137 HXOZERQKITXWDD-GJEGPGMTSA-N 406.192 4.942 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(F)cc2)N1 587737574 YBWZURQLDNYRRG-XKYGYVCHSA-N 407.302 4.580 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@H](C(=O)OC(C)(C)C)C2(C)C)N1 587790155 FVGRJVJCJMKEOT-GWBBYGMBSA-N 412.343 4.777 0 1 HJAF C[C@]1(c2sc(N)nc2C(F)(F)F)c2cccc(F)c2CCN1[C@H]1CCSC1 962691642 ALCHKNYFZFLHJT-DYZYQPBXSA-N 417.497 4.510 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C4C(=O)OC(=CC[C@H](C)CNC)[C@@]4(CC3)[C@H]21 2356726618 YUCZIRLWTHNMNY-OCXVZWEISA-N 423.553 4.573 0 1 HJAF CC(=O)c1ccccc1N[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cccs1 206049368 XDCTZPZTIZSHAN-NRFANRHFSA-N 408.479 4.514 0 3 HJAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@H]1c1cn(C)c2ccccc12 4126190 HBJQZHPATJTLKS-DNQXCXABSA-N 415.537 4.538 0 1 HJAF COC(=O)[C@H](NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1 13762351 UKPBWQXEZQZWKN-HSZRJFAPSA-N 402.494 4.927 0 1 HJAF O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cccc2ccccc12 14961988 KSKVKWGASXQZCE-UHFFFAOYSA-N 411.299 4.691 0 1 HJAF Cc1ccc(-c2csc(-c3cc4c([nH]c3=O)C[C@H](c3ccco3)CC4=O)n2)cc1 21365657 VRTAANAIQOPCGE-HNNXBMFYSA-N 402.475 4.980 0 1 HJAF CCOc1ccc(-n2c(C)c3c(C)nnc(N(C)CCc4ccccn4)c3c2C)cc1 28569403 ASEXCKNPGKEBKX-UHFFFAOYSA-N 415.541 4.818 0 1 HJAF Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCC4=O)cc3)ccc12 28964139 JGKHUDVYQPUWSH-UHFFFAOYSA-N 414.484 4.726 0 1 HJAF S=C(NCc1ccccc1Cl)N1CCC(c2cccc(Br)c2)=N1 34629963 YDUMIGSUZOJINN-UHFFFAOYSA-N 408.752 4.587 0 1 HJAF CCCCc1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)nn1CCCC 36222107 WAIJEOSMHPBZEU-UHFFFAOYSA-N 415.545 4.859 0 1 HJAF CC(C)Cc1sc(N)nc1-c1ccc([P@@]2(=O)OCC[C@H](c3ccncc3)O2)o1 66101946 YDSBZEUFNUCORX-LOKFHWFJSA-N 419.443 4.575 0 1 HJAF O=C(O)CCC/C=C/C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 87721982 XBEXHWPCLKUYDD-GBYSOKRWSA-N 400.490 4.761 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2/C=C/CCCCC2)c1=O 169707541 KOAWAGCCRWSOLU-VNTRMAOESA-N 421.541 4.542 0 1 HJAF NC(=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082247 KLZQEIFYDDLDTB-UHFFFAOYSA-N 414.852 4.903 0 1 HJAF O=c1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170510 BGHXBWSCPPVRGP-UHFFFAOYSA-N 406.314 4.572 0 1 HJAF CNc1cccc(-c2cccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c2)c1 587233283 LSZBBXJRFTYKTR-UHFFFAOYSA-N 409.493 4.694 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc4c(c32)CCO4)[C@H]1c1ccc(F)cc1 587361560 ZJJYEJKLXNXZIQ-UKILVPOCSA-N 402.421 4.667 0 1 HJAF CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587408333 FRPUOOZRKMHHRP-GTAYFMOCSA-N 411.523 4.661 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(C)cc4)n1)[C@@H](C2)C3=O 587449170 FQICTGWTVGKXCI-JTSKRJEESA-N 420.490 4.633 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)c(Cl)cc(Cl)c1O 587548743 XQQWRYRYAALQSV-VLIAUNLRSA-N 419.216 4.813 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccnc2O)c1 587584803 APHWPCLISYYTCD-ZJSXRUAMSA-N 411.413 4.863 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCCC2)c1 587597109 UPUWJQXEOPEOOM-RCZVLFRGSA-N 401.462 4.691 0 1 HJAF Cc1c(Br)cncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587683637 OGLVRABTSCWQBB-BCTVWOGZSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cccs2)N1 587720259 MCERLKMGOKZHIP-XLFHBGCDSA-N 418.278 4.652 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2-n2cccn2)N1 587732547 OBDZDFMHXPQBTM-JEOXALJRSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1 587746175 YRGOMBARRWESQG-ADLMAVQZSA-N 420.326 4.591 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829751 CFQYSFMWTPBBMS-BIBXISHDSA-N 406.295 4.633 0 1 HJAF Cc1ccc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839041 POURIDGWKGSZNO-WLRWDXFRSA-N 402.263 4.627 0 1 HJAF CC[C@H](C)Sc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587840844 NAGYACRGTBMEHO-RLFDGXBXSA-N 410.356 4.892 0 1 HJAF CCOP(=O)(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC 587850811 RZGZUEIOJRZYRH-ZBEGNZNMSA-N 408.248 4.604 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(SC)c1 587869645 LWINBOIKDYADDY-UHFFFAOYSA-N 424.473 4.940 0 1 HJAF COc1ccc(-c2cc(F)cc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c(OC)c1 1772620841 BPCRLARORIMRKD-GOSISDBHSA-N 401.459 4.881 0 1 HJAF Oc1nc2cc(Br)ccc2n1C1CCN(Cc2ccccc2Cl)CC1 1857753566 ONNRPGIJCQHYTJ-UHFFFAOYSA-N 420.738 4.995 0 1 HJAF CC(=CC(=O)O)CCC=CC=C[C@H](C)CC[C@@H](O)CCCC(=O)c1csc(O)n1 2356462809 FZDDIXDEVGJIDX-WMZOPIPTSA-N 421.559 4.902 0 1 HJAF CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356503835 UVOTXHBDYFWIBF-CJWCVKOUSA-N 416.558 4.629 0 1 HJAF COC(=O)C=C(C)CCC=C(C)CCC=C(CCC=C(C)C(=O)OC)C(=O)OC 2356528325 TZNCUOKXJMCRAP-UHFFFAOYSA-N 406.519 4.611 0 1 HJAF CCCCN1C(=O)N[C@@H](c2ccc(OC)cc2)C(C(=O)OCc2ccccc2)=C1C 13125811 ZBKYKOTWTFTYST-QFIPXVFZSA-N 408.498 4.579 0 3 HJAF FC(F)(F)c1cc(CO[C@H]2OCCN[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 3799736 FUQXMZQIUQTJPV-IAGOWNOFSA-N 405.338 4.928 0 1 HJAF CSc1nc2ccccc2c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13682711 HIUUGGFSCPOJHW-UHFFFAOYSA-N 402.475 4.532 0 1 HJAF COc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1 14945404 MSFZKJUNFSIHIJ-UHFFFAOYSA-N 404.514 4.876 0 1 HJAF C[C@@H]1c2nc(NC(=O)C3CCCC3)sc2C[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 25187845 ZNSKOGGQUHKREZ-UBMWYBEWSA-N 402.560 4.525 0 1 HJAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3cccc(Cl)c3)C2)cc1 29466741 LVOBPVDFMBILJC-UHFFFAOYSA-N 423.921 4.701 0 1 HJAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)CC/C=C/I)N3C)cc1 36271312 WPOWYXAYIRKXTG-ZWHGWVGYSA-N 423.338 4.859 0 1 HJAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 38346686 VXCXQHXZHNKMDG-RUZDIDTESA-N 412.533 4.840 0 1 HJAF COC(=O)CC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 43202412 IJQXEOBXNKFUOJ-JOCHJYFZSA-N 400.906 4.859 0 1 HJAF Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1 49803242 CJTQBCMGMLTHPI-UHFFFAOYSA-N 419.488 4.685 0 1 HJAF Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)C(C)C)c4)CC3)cccc2n1 66259959 SYWSPGNYZDCPLZ-UHFFFAOYSA-N 416.569 4.502 0 1 HJAF COc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1 73169593 IWHSMTDCHWZUDR-UHFFFAOYSA-N 404.445 4.564 0 1 HJAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1 85597471 PFDDFESTKYXZHS-HXUWFJFHSA-N 408.494 4.979 0 1 HJAF biogenic,in-vitro COc1cc(-c2nc(SC)[nH]c2-c2cccc(OC)c2OC)cc(OC)c1OC 96906259 IKQHPOCIAOBFPI-UHFFFAOYSA-N 416.499 4.509 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3cc(C)ccc23)C(F)(F)F)c(C)c1 103253857 CVFDJBVNXZCLBL-IBGZPJMESA-N 424.488 4.853 0 1 HJAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2ccccc2Cl)NC(=S)N1 103294956 QQLSRWADRJPXMX-MRXNPFEDSA-N 410.301 4.564 0 1 HJAF Cc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695176 JVXCSRKIMVNCIE-SFTDATJTSA-N 416.477 4.538 0 1 HJAF CC(C)=CC(=O)O[C@H]1[C@@H](O)C2=C[C@@](O)(C(C)C)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 238773879 KEENXIBOPJRZDN-JCKJGOETSA-N 404.591 4.795 0 1 HJAF O[C@H](c1ccccc1)[C@@H]1CN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC[C@]1(O)c1ccccc1 253683146 LFNIKHHUYFVLKL-MNNQLTHTSA-N 405.582 4.756 0 1 HJAF CCCn1cnc2cc(-c3nc4cc(OC)c(F)cc4[nH]3)cc(Br)c21 587003634 KPMBLMDKHIVVLG-UHFFFAOYSA-N 403.255 4.900 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 587026744 MLNYCBAKIDQYIH-COXVUDFISA-N 401.482 4.978 0 1 HJAF COc1cc(OC)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 587182722 LPIIPERIGKBBJQ-UHFFFAOYSA-N 414.630 4.505 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1 587346724 NAQRZHKFGGGKNH-ILBGXUMGSA-N 412.420 4.624 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353286 MTNOJCCCFFVKIA-VWNXMTODSA-N 424.424 4.640 0 1 HJAF COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401313 VZSHWTSGJMBKOD-PABBZOGXSA-N 417.461 4.545 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](C2)C3=O 587418198 BFYIMESJYGYIJH-SJCJKPOMSA-N 413.189 4.965 0 1 HJAF CC[C@H]1C[C@]2(C[C@@H](CC)N1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587436403 PYBDBOWHHNYQIN-JYPPEDEUSA-N 415.530 4.770 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)CC2=O 587490479 XJIICGYFLSFVBN-KCVHQNEMSA-N 405.538 4.981 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(C(=O)O)ccn3)cc1)CC2=O 587490742 ZHWKJPRNNVQQMP-JOCHJYFZSA-N 403.434 4.811 0 1 HJAF C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587516682 DPPBBVKWZGDBAX-DWXRJYCRSA-N 419.521 4.948 0 1 HJAF O=C(O)CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602636 IYDSSLFKBHXSFH-QPPBQGQZSA-N 404.418 4.504 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC21CCOCC1 587605787 AWSJCQJEPSKFOE-BKMJKUGQSA-N 414.457 4.602 0 1 HJAF Nc1sccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612213 IWEQDXZCPJETHG-RDPSFJRHSA-N 415.470 4.941 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)F)cc2)N1 587714065 GANOHXGAQNBTBA-MGNBDDOMSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cncc2Br)N1 587735932 VSYQAVRHMVFXJI-ZIDLFYJRSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccccc3)C2)N1 587816582 AKMCVUIZECHAKJ-ZQWRNJAYSA-N 402.307 4.855 0 1 HJAF Cc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br 587852504 LWQCEEAJZHMYFS-INWYIAFRSA-N 420.145 4.739 0 1 HJAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CCc3ccccc3Cl)cn2)c1 1857771912 CJVNIQLAVPEOHD-UHFFFAOYSA-N 418.810 4.645 0 1 HJAF O=C(OCc1ccccc1)N1Cc2ccnnc2C[C@@H]1c1ccccc1Br 95599810 PTMGRYDPGBHQQD-HXUWFJFHSA-N 424.298 4.675 0 3 HJAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214070 OEBOLKNHEYCYKA-IYSOMAHNSA-N 416.562 4.519 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4Nc5c(cnn5-c5ccc(F)cc5)C[C@@]43C)[C@H]1CC[C@@H]2O 5850647 CDGIYWNEIDGTBY-DTZKBMEYSA-N 409.549 4.952 0 1 HJAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)NC4CCCCC4)CC3)cc12 13553509 IXJQWYCBIZZUNH-HSZRJFAPSA-N 420.601 4.936 0 1 HJAF Cc1nc2ccccc2c(C(=O)O)c1Oc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26168244 GJHJNGAOJOPRRQ-UHFFFAOYSA-N 423.432 4.881 0 1 HJAF Brc1cccc(Br)c1N(CC1CCCCC1)C1=NCCN1 28230188 LRUZXUYFJVAMCQ-UHFFFAOYSA-N 415.173 4.558 0 1 HJAF Cc1cc(C(F)(F)F)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 28647315 RCRBVTFUVCYAKZ-ZDUSSCGKSA-N 408.232 4.889 0 1 HJAF CCN1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 28822083 RLROVNONCYRVPD-UHFFFAOYSA-N 423.782 4.819 0 1 HJAF Clc1cccc(-n2ncnc2NCc2cccnc2Oc2cccnc2)c1Cl 29126454 VVKLJSZJADKCFH-UHFFFAOYSA-N 413.268 4.769 0 1 HJAF C[C@H]1NCc2cc(-c3cc4c(cc3F)c(=O)c3c(O)nsc3n4C3CC3)ccc21 35090193 JLIBGEGQMRREEI-SNVBAGLBSA-N 407.470 4.622 0 1 HJAF CCCCN(C)C[C@H](C(C)=O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 105502859 OEHWJTHJYQHSRA-IRLDBZIGSA-N 407.510 4.568 0 1 HJAF O=c1[nH]nc(Cc2ccc(CN3CCC(c4ccccc4)CC3)cc2)c2c1CCCC2 167287462 UAWIRHDENRNJGF-UHFFFAOYSA-N 413.565 4.619 0 1 HJAF Cc1cc(Sc2nc3ccccc3[nH]2)nc(SCc2nc3ccccc3[nH]2)n1 169308883 JLEGPJYOZWWXAO-UHFFFAOYSA-N 404.524 4.981 0 1 HJAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(C)(C)C)cc4[nH]3)CC2)cc1 586954416 BZTITMCFHWCTEQ-UHFFFAOYSA-N 411.571 4.737 0 1 HJAF Clc1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586966433 DKXNGOLEFABCQX-UHFFFAOYSA-N 422.695 4.716 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1 587018133 WPEQMMNKMXKQDD-UHFFFAOYSA-N 418.272 4.804 0 1 HJAF CN(C)CCOc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159650 RVEIXFHTAXCWQH-UHFFFAOYSA-N 415.472 4.648 0 1 HJAF O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)cc1 587170474 DQYHLJINGLMMMX-UHFFFAOYSA-N 419.840 4.962 0 1 HJAF O=C(/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1 587243172 CKYXHXJBVRBQIC-SREVYHEPSA-N 410.193 4.996 0 1 HJAF CC(=O)N(C)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587338071 PLODCZSFVTZCGF-ILBGXUMGSA-N 419.452 4.788 0 1 HJAF C/C(=C\[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587379312 XXBRGLLLJGNNMB-JWVZTPSPSA-N 424.497 4.708 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cccc(C(F)(F)F)c3)CC1)O2 587380478 FFVFHZRTYUTRQL-UHFFFAOYSA-N 404.432 4.596 0 1 HJAF O=C1C[C@@H](C2CCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514130 MDGIFCRTLRERLI-DEOSSOPVSA-N 419.521 4.948 0 1 HJAF Cc1cc(C)c(-n2cccn2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587579339 DJMNEBCIJSNMJR-PXDATVDWSA-N 412.445 4.898 0 1 HJAF Cc1cc(C)c(-n2cccn2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587579340 DJMNEBCIJSNMJR-SQJMNOBHSA-N 412.445 4.898 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(OCC2CC2)c1 587592153 IGAQLUVTKQPFEJ-QPPBQGQZSA-N 404.418 4.590 0 1 HJAF O=C(c1cc(-c2ccccc2)on1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659924 KRVWUEHIBJNQNM-UHFFFAOYSA-N 411.392 4.546 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Br)c2)N1 587675956 CDXWTPDILCSXIS-VPTHRUTESA-N 415.100 4.680 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(Cl)cc3c2=O)N1 587698872 OSCRXWFFUUZKHU-LZVRBXCZSA-N 422.681 4.972 0 1 HJAF CC(C)n1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587711176 WDMSFTKLUYDDBB-QLJPJBMISA-N 420.248 4.706 0 1 HJAF COc1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1 587759522 ULPSLRZFZUGSRH-BIBXISHDSA-N 403.295 4.712 0 1 HJAF CCCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587765195 BWPPPIKQXZXNKT-LRTDBIEQSA-N 417.322 4.513 0 1 HJAF Cc1noc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 587791057 FHHUONVLWFINQZ-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccccc3)C2)N1 587816786 DFHOJXONONRKLO-NZCGUCNHSA-N 402.307 4.855 0 1 HJAF Cc1cccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587826852 JNLYSKJTFGYLQN-SZNDQCEHSA-N 420.322 4.929 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1c3ccnc-3[nH]cc1C(F)(F)F)N(C)[C@@H](C)C2 962642600 WCGKCOYWPRULRL-BBATYDOGSA-N 405.420 4.516 0 1 HJAF O=Cc1ccc(Oc2ccc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)cc1 963222282 GJMLKFARQGARDN-DQEYMECFSA-N 424.456 4.528 0 1 HJAF COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1CC=Cc1ccc(O)cc1 2356401408 DAWRUANGYYPWBR-UHFFFAOYSA-N 420.461 4.589 0 1 HJAF CC=C(C)C(=O)OC[C@]1(C)CC[C@H](OC(=O)C(C)=CC)[C@@]2(C)[C@H]3C(=O)C[C@H](C)[C@H]2[C@H]31 2356617842 ULHQJKWCAOIZNP-VICWBLINSA-N 416.558 4.651 0 1 HJAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4310487 UAGISAOBKPZBCO-KPOBHBOGSA-N 411.949 4.559 0 1 HJAF COCCCN(C(=O)c1ccc(Cl)cc1)[C@H]1CCCN(CCc2ccccc2)C1 16052597 OOUGHDJEJNMXSV-QHCPKHFHSA-N 414.977 4.526 0 1 HJAF in-vivo CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1 26968946 GXSUCJURLHNULQ-QFIPXVFZSA-N 417.549 4.663 0 1 HJAF CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2OC)C(C)(C)COC3(C)C)cc1 27518151 WWVYNOFKTKQPGJ-UHFFFAOYSA-N 412.482 4.634 0 1 HJAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccc(Br)cc3)O2)cc1 28766789 NVZNCSUZQNSSKL-MOPGFXCFSA-N 419.706 4.940 0 1 HJAF CC(=O)Nc1nc2ccc(-c3ccnc(OCCCc4ccccc4)n3)cc2s1 71318737 PYLJLCUVXBPXSK-UHFFFAOYSA-N 404.495 4.723 0 1 HJAF CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(-c3ccccc3)n2n1 72174402 BVSYPISEYIJCKB-UHFFFAOYSA-N 403.482 4.877 0 1 HJAF C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1 103205085 YPSMJURGWIIJFQ-WOJBJXKFSA-N 409.592 4.960 0 1 HJAF Cc1cc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1 103248938 UTTSAVIJOACRKO-UHFFFAOYSA-N 404.253 4.723 0 1 HJAF C[C@H]1OC(=O)C2=C1CC[C@@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@@]12CO 140250324 CGYKWNAZXSRFCL-KXRNQEHUSA-N 416.602 4.631 0 1 HJAF CCCSc1nc(N[C@H]2CC[C@H](C(=O)O)CC2)ccc1C(=O)NC1CCCCC1 253994573 LSNUPHZZOYTURX-JCNLHEQBSA-N 419.591 4.702 0 1 HJAF CCc1ccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c1 587140100 BSGLPIFSNGBTFA-LJQANCHMSA-N 423.941 4.984 0 1 HJAF Fc1cc(Br)cc(-c2nc3ccc(I)cc3[nH]2)c1 587161480 RXJQXULBMZOVOU-UHFFFAOYSA-N 417.019 4.736 0 1 HJAF Fc1ccc(I)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587183163 UYMGRGUTTAEUSN-UHFFFAOYSA-N 408.001 4.675 0 1 HJAF C[C@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328722 CBQGRLGHAACZKL-DENIHFKCSA-N 400.352 4.789 0 1 HJAF C[C@]1(c2cc(F)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329035 BXDQHJUABSXGBO-WIYYLYMNSA-N 401.796 4.993 0 1 HJAF Cn1ccnc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372300 FIHCVDLCJYXECM-NFBKMPQASA-N 420.465 4.629 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O 587417019 IJORFWJTCPXVAD-LIRRHRJNSA-N 405.675 4.700 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O 587425512 DNVJWBCBMZMEJJ-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF CC[C@@H]1CN=C(Nc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)S1 587451279 JTYRBWYJTBXBGC-PNCHPQGNSA-N 408.523 4.651 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(Br)cc1O)CC2=O 587456595 RTOLJADOVSRABH-QGZVFWFLSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C 587474057 CMJMDVCNPIRBQN-USGALAMMSA-N 403.519 4.714 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(OC)ccc1O)CC2=O 587476172 DXLLHWCHRSWCMV-VWLOTQADSA-N 404.462 4.968 0 1 HJAF O=C1C[C@@]2(C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)Oc2c1ccc1c2CCCC1 587497707 GAFOQYYQLKVJQI-FOIQADDNSA-N 421.440 4.611 0 1 HJAF C[C@]1(c2ccc(C(F)(F)F)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547076 LDUYTMSWJJRMTN-WIYYLYMNSA-N 415.367 4.870 0 1 HJAF Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575768 DEQNJVDETBHJAG-OZXSUGGESA-N 409.441 4.880 0 1 HJAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC 587590564 COTPHKKRFDARNY-GBXCKJPGSA-N 406.434 4.595 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncnc(Cl)c2s1 587618164 NJXBYOVLAARRBW-YJBOKZPZSA-N 410.838 4.753 0 1 HJAF CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587625531 JOUOGIOTVNTBHB-DHZHZOJOSA-N 408.342 4.980 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587746785 OAMNTFHSRUFGQG-MQJDWESPSA-N 414.322 4.655 0 1 HJAF CCOC(=O)C[C@]1(CC2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799683 UFQLJYABYMEDDM-RBZFPXEDSA-N 412.343 4.851 0 1 HJAF COC(=O)CC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587803388 AEEZWFLIUPAVQH-SPLOXXLWSA-N 420.322 4.628 0 1 HJAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587936337 KQQQGNQUVMRXJN-BUXKBTBVSA-N 419.319 4.958 0 1 HJAF Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)Nc2ccccc2)c1 653721453 CLZUSPRWCRHKOE-NRFANRHFSA-N 416.546 4.910 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccccc2)(c2ccc3cc(O)ccc3c2)N1 962922336 QBOIEHGQAOLBFS-JYFHCDHNSA-N 413.448 4.575 0 1 HJAF COc1ccccc1NC(=O)Nc1cc(Br)c(O)c(Br)c1 1202124300 BTQOBIJRNRPBHY-UHFFFAOYSA-N 416.069 4.570 0 1 HJAF COc1ccc(NC(=O)c2cc3c(cc2OC)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC3)cc1 1772598148 BQZOOVVEFBKBME-JCYRPKCISA-N 423.553 4.957 0 1 HJAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1 2356352033 LHMXIRPRTAWSCI-NRFANRHFSA-N 408.494 4.883 0 1 HJAF CC(=CC(=O)O)CCC=CC=C[C@@H](C)CC[C@@H](O)CCCC(=O)c1csc(O)n1 2356462806 FZDDIXDEVGJIDX-AEFFLSMTSA-N 421.559 4.902 0 1 HJAF CCCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](C)[C@@H](C)C2=O 2356535318 UXMDQRKTSNQRJU-HZSPNIEDSA-N 402.487 4.925 0 1 HJAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@@H]2CCC=C(C)[C@@]12C 2356581827 MEYMLQXJGDOBCS-SLZNJEHBSA-N 420.546 4.680 0 1 HJAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)O3)c1 61905320 UISCTZXHSTZQDH-QHCPKHFHSA-N 415.493 4.773 0 3 HJAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3nccc4ccccc34)CC2)c1 95568950 FMGPXRFURDJMGM-UHFFFAOYSA-N 416.472 4.773 0 3 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215805 MGAOUKFKTFGKOJ-QMZRJTEUSA-N 418.578 4.622 0 1 HJAF COc1ccc(CNc2ncnc3ccc(-c4ccc(N(C)C)cc4)cc23)c(OC)c1 4258362 OSFGDKNWVPYGBC-UHFFFAOYSA-N 414.509 4.992 0 1 HJAF aggregator CCCn1c(-c2ccc(F)cc2)nc2c(NCCCCN(CC)CC)nc(C)nc21 7991783 OOUSSMDEUUJWTE-UHFFFAOYSA-N 412.557 4.885 0 1 HJAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCC[C@@H](O)C3)cc12 13454346 HMQKIWOBTLZLLA-OAQYLSRUSA-N 421.537 4.856 0 1 HJAF CN(C)C(=O)Cn1c(-c2ccncc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 13646686 HAIXIRVYHHOFSB-UHFFFAOYSA-N 405.498 4.537 0 1 HJAF CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc(C)cc(C)n1 13832825 ZSQBWJVNWXAGKO-UHFFFAOYSA-N 413.529 4.747 0 1 HJAF in-vitro C[S@@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 13919200 BRVYETPRGCQZJA-JMGYQRAPSA-N 415.942 4.975 0 1 HJAF Cc1ccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)cc1C 29042516 WVWUPXWGGTWURQ-FTJBHMTQSA-N 419.613 4.610 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 34801456 HNCAMNUTTBOMFY-LCZCFEKFSA-N 402.623 4.725 0 1 HJAF Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 40940400 IDPINEYUDSPLGM-UHFFFAOYSA-N 408.303 4.831 0 1 HJAF CCN(CC)Cc1ccc2[nH]c(-c3cc([C@@H](O)C(C)C)cc4c3C(=O)NC4)cc2c1 43194878 SBKWRAUOQLUFRJ-DEOSSOPVSA-N 405.542 4.610 0 1 HJAF in-vivo O=C(Nc1ccc(F)cc1F)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45323685 FTJQZEKNRLAPGN-AWEZNQCLSA-N 402.832 4.567 0 1 HJAF CCOc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1 66136419 DEKZHSHBOMNVKF-UHFFFAOYSA-N 400.522 4.938 0 1 HJAF Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1 73220763 RSHQCAXNQDJUOW-UHFFFAOYSA-N 424.065 4.759 0 1 HJAF Cc1nn(-c2cccc(Cl)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565219 QWYNDYJAKNKSQS-UHFFFAOYSA-N 406.288 4.794 0 1 HJAF COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@@H]2C)cc(OC)c1OC 95913633 RKSBJQZDPAGEQW-WVGOSAFVSA-N 416.470 4.535 0 1 HJAF biogenic,in-vitro Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 142917579 GCPCUHLSKAPBOV-MRXNPFEDSA-N 415.522 4.594 0 1 HJAF CC(C)(C)c1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167830088 IRBKCMZSOUECDP-UHFFFAOYSA-N 415.537 4.789 0 1 HJAF COc1ccc([C@@H]2C[C@]23CC[C@]2(C[C@@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC 203693685 NOAKNKIKZJFKBA-SXYAGZLHSA-N 408.494 4.732 0 1 HJAF CN1Cc2cc(-c3cccc([C@H](O)CO)n3)ccc2Oc2ccc(C(F)(F)F)cc21 230509123 BRWUSQGUQAKZGX-LJQANCHMSA-N 416.399 4.535 0 1 HJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)CC/C=C/I)N3C)cc1 253639075 WPOWYXAYIRKXTG-AGSZPRRHSA-N 423.338 4.859 0 1 HJAF c1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncnc5ccccc45)CC3)CC2)cc1 253683947 IVCDUDHUOFADMA-HZCBDIJESA-N 415.585 4.813 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3C[C@@H](O)C4=C5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255213827 GSUNQDOEYUXFKH-FQIPXMOPSA-N 413.646 4.627 0 1 HJAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@@H]2CN2C[C@H](C)CC[C@@H]12 255238600 MWBJDDYEYGDWCZ-FQWBZLJKSA-N 413.646 4.771 0 1 HJAF O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCc2cc(-c3cccnc3)ccc21 299820927 FEJOCLAQRBUWRI-UHFFFAOYSA-N 418.440 4.909 0 1 HJAF CN(C)C(=S)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 299836795 HUIYYFYCZZPFTM-UHFFFAOYSA-N 413.724 4.580 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc1-2 587017824 QLGXHXMNMHIZHF-UHFFFAOYSA-N 423.807 4.702 0 1 HJAF Ic1cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587026508 VDAJRBPYQKYOBB-UHFFFAOYSA-N 403.248 4.958 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnc(Cl)[nH]c-4n3)c(Cl)cc12 587078084 HEOMQYNHPGQNJQ-VIFPVBQESA-N 419.268 4.810 0 1 HJAF Fc1cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 587153378 QKNNVMZYRCAGQM-UHFFFAOYSA-N 420.448 4.776 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](C(=O)O)(c1ccccc1)C3 587206748 MKFBWQGRKLJBOX-MHZLTWQESA-N 405.453 4.958 0 1 HJAF COc1cc(C)c(N)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587251071 XMZHIPFBWHCYIW-UHFFFAOYSA-N 411.097 4.654 0 1 HJAF CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N 587329773 APIWEBHRFKHOLM-UPVQGACJSA-N 407.441 4.787 0 1 HJAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1O 587337126 UXEGCYLMEKFPHB-JTHBVZDNSA-N 412.388 4.659 0 1 HJAF CC[C@]1(c2ccc(O)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348889 HSDJMMWNYUOBED-ISKFKSNPSA-N 408.425 4.910 0 1 HJAF CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587394091 CLHWQKUOAIFKRJ-RUZDIDTESA-N 414.461 4.806 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](NC(=O)OCc3ccccc3)C1)CC2=O 587468279 DHQATHFGEWOVGW-AVRWGWEMSA-N 423.509 4.918 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(OC)cc3)c1C)CC2=O 587477106 UMPNQWRQXSDNEL-HSZRJFAPSA-N 420.509 4.921 0 1 HJAF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587567875 AKUNIQYNULJDRA-RCZVLFRGSA-N 419.477 4.950 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ncccn2)c1 587588687 UNFNHZOQUWUDLP-REWPJTCUSA-N 412.401 4.677 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)N1 587700177 LWTTZQJNEYPQSH-WLRWDXFRSA-N 420.713 4.791 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2N)N1 587714605 WEKCBHBEFGKTOW-HUTHGQBESA-N 417.244 4.987 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)F)c1 587716120 IJLPWPDCUSJRQK-XLFHBGCDSA-N 416.237 4.822 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(F)cc2)N1 587728136 CWVPXACZZGGKOI-ODXCJYRJSA-N 424.285 4.760 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccc3F)nc2)N1 587728611 SXNPTAJRUCNLFZ-WLRWDXFRSA-N 416.269 4.808 0 1 HJAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccc1 587763100 HZEPFIDGOYOTLV-FKIZINRSSA-N 400.295 4.706 0 1 HJAF Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587795550 YGTWSVQYTLRXJS-CFMSYZGJSA-N 423.326 4.844 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798190 OCHSUJSTPPWROI-SPLOXXLWSA-N 420.322 4.546 0 1 HJAF Cc1cc(=O)oc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc12 587837674 JUCYGLFMDQFCEB-GIPWTMENSA-N 402.263 4.627 0 1 HJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587925471 AZLMIGPWTIHAOB-KRWDZBQOSA-N 402.498 4.953 0 1 HJAF Cc1c(F)ccc2c1[C@H](C[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C)NCC2 962297599 KCTNFLLHRJAAGV-FPOVZHCZSA-N 416.512 4.986 0 1 HJAF COC(=O)c1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(C)c1 962648829 YMOBIHKKSPYMBU-OZXSUGGESA-N 412.533 4.618 0 1 HJAF CCC(=O)[C@@H](CCC(=O)OC)[C@@]1(CC)c2ccsc2CCN1Cc1ccco1 962716642 UVBBPENSGHJPDK-VGSWGCGISA-N 403.544 4.553 0 1 HJAF Oc1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1 1772606876 YLPUENLJHNGVLQ-UHFFFAOYSA-N 401.495 4.566 0 1 HJAF COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3[nH]c(=S)n4nnnc4c32)cc1 1857565103 LRAPNURENAQVOI-QGZVFWFLSA-N 413.462 4.630 0 1 HJAF COCCN(C)c1nc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c(C(C)C)s1 1857597160 JHUCBQFKAHYHHB-UHFFFAOYSA-N 419.444 4.759 0 1 HJAF CC(=CCCC1=CC[C@H](C2=CC(=O)O[C@H]2O)O[C@H]1O)CCC1=C(C)CCCC1(C)C 1857742901 FGJIDQWRRLDGDB-GMKZXUHWSA-N 416.558 4.855 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@H]12 2356478932 YGDIXPFBPXGHMQ-UYQWMTJOSA-N 416.514 4.955 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]3CC[C@H](C(=O)O)[C@@H](C=CC4=CC(=O)O[C@@H]4O)[C@@]3(C)CC[C@H]12 2356546691 QBUNBRGDEZXPAU-WVNCZGAVSA-N 416.558 4.704 0 1 HJAF CC(C)c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61928692 RZSFGPDYQRBASQ-VWLOTQADSA-N 416.477 4.933 0 3 HJAF COc1ccccc1[C@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446409 KXDVBXVBZDIFHQ-FQEVSTJZSA-N 421.368 4.840 0 1 HJAF O[C@@H](CCN1CCN(c2cccc3ncccc23)CC1)c1csc2ccccc12 13491130 KCVLVGLIYSFJBY-QHCPKHFHSA-N 403.551 4.695 0 1 HJAF Cc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 13829829 BKNPUKHFYXNNNV-HSZRJFAPSA-N 410.627 4.889 0 1 HJAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccc(F)cc1)CC2 13982634 YUWXDNRDMDDSJC-TZRRMPRUSA-N 424.535 4.987 0 1 HJAF CN(C)C(=O)Oc1ccc2c(-c3ccncc3)c(Cc3ccccc3)c(=O)oc2c1 26483701 XQELFDROQQCSKV-UHFFFAOYSA-N 400.434 4.506 0 1 HJAF O=C(Nc1ccc2ncccc2c1)C(=O)c1cn(Cc2cscn2)c2ccccc12 29417037 AVEHSQSXGIIMKF-UHFFFAOYSA-N 412.474 4.516 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 40753272 RLOJIHUMKRBJCL-ILQJIGPNSA-N 421.581 4.971 0 1 HJAF COc1ccc(Nc2nc(NCc3cccnc3)cc(-c3ccc(OC)cc3)n2)cc1 45210188 RVVQYHPQSWORBW-UHFFFAOYSA-N 413.481 4.912 0 1 HJAF C[C@H]1CN(Cc2cccc(F)c2)CCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1 45302179 PLHWQQFDBUHPRA-SFHVURJKSA-N 421.491 4.928 0 1 HJAF Cc1cc(OCCCNC[C@@H]2CCCN(C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49034392 IDIYNCNZIJYGSP-IBGZPJMESA-N 424.564 4.686 0 1 HJAF C/C=C\c1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC(C)(C)C)n12 73089351 FEOIPNFECBWUGD-YFHOEESVSA-N 423.465 4.654 0 1 HJAF CC(C)(C)c1cc([C@H](O)[P@](=O)(O)CCc2ccccn2)cc(C(C)(C)C)c1O 82052758 VMLPPPZLLAQXPF-HXUWFJFHSA-N 405.475 4.886 0 1 HJAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)C1 82132564 KVENMMBHROUDGP-MOXWOTFGSA-N 406.574 4.934 0 1 HJAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1 85597504 LHMXIRPRTAWSCI-OAQYLSRUSA-N 408.494 4.883 0 1 HJAF biogenic,in-vitro Cc1nn(Cc2ccc(NC(=O)c3csc4ccccc34)cc2)c(C)c1CC(=O)O 169703221 OGZKKQJQLIAHPO-UHFFFAOYSA-N 419.506 4.642 0 1 HJAF CC1=N[C@]2(C[C@@H]([C@@H]3CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 169708644 MWVBEWBNSOHPSD-FRGLQRNOSA-N 409.917 4.569 0 1 HJAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cn1 205327818 JDKAVPFTYLLQFW-UHFFFAOYSA-N 407.876 4.919 0 1 HJAF Fc1c(Cl)cccc1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 213614522 OSNZJNICECYWHS-KGLIPLIRSA-N 408.662 4.971 0 1 HJAF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@H]1C 225828536 OQRWWFFSUBHUOV-WIYYLYMNSA-N 416.525 4.648 0 1 HJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 586882316 NFJAWDMJHKUGOK-UHFFFAOYSA-N 424.548 4.830 0 1 HJAF O=C1CCC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 586886487 PZAPVYREECLLNJ-ZDUSSCGKSA-N 417.918 4.634 0 1 HJAF CSc1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586960753 YAJLJBKKUWRTFG-HSZRJFAPSA-N 409.374 4.788 0 1 HJAF Cc1cc(Cl)cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587002463 GFEDBIQYOHKZBU-JTQLQIEISA-N 405.679 4.923 0 1 HJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 587067747 NPXSWBLAMDPCPL-UHFFFAOYSA-N 404.779 4.803 0 1 HJAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(C(N)=O)c2[nH]1 587121569 FXKWBXDMFVRBDU-UHFFFAOYSA-N 418.400 4.659 0 1 HJAF O=C1C[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587507411 QIZLKFXNTKMJRJ-NRFANRHFSA-N 405.277 4.904 0 1 HJAF COc1ccc(OC)c(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525756 PMHICZNESAGUGU-JOCHJYFZSA-N 404.466 4.679 0 1 HJAF CN(C)C(=O)Sc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609853 AJPXINNGYXNZFQ-DENIHFKCSA-N 421.474 4.869 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(O)cc2)n1 587614729 SXTDXQWTWJKCMY-KNQAVFIVSA-N 417.442 4.924 0 1 HJAF Cc1cccnc1C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707007 RXQHFLWEFWEJPZ-PIGZYNQJSA-N 417.244 4.826 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccc3F)nc2)N1 587728396 SAUBHJFQTVTFOX-WLRWDXFRSA-N 416.269 4.808 0 1 HJAF Cc1cccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587752456 FDDDUCRELFWLLE-RNODOKPDSA-N 400.295 4.706 0 1 HJAF COc1cccc(-c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)on2)c1 587797723 RVOWIFKWHGZPHL-PRWKNARSSA-N 417.278 4.875 0 1 HJAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1OC 587809508 UDEMRCRWPCLTQU-BIBXISHDSA-N 408.311 4.712 0 1 HJAF CC(=O)SC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587844189 KUJOISJWQHIAJV-BLVKFPJESA-N 408.336 4.646 0 1 HJAF C/C(=C\[C@]1(c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587851119 AIQLXHLMRZVEEY-FVHSBGKRSA-N 409.368 4.893 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccc(C)cc1C 587870415 HGJDRESXLFRINN-UHFFFAOYSA-N 409.461 4.764 0 1 HJAF C[S@](=O)c1ccc([C@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801617 NCWGRILWBTWFKG-DCFHFQCYSA-N 401.963 4.965 0 1 HJAF CC(C)c1nn(C)c2c1[C@@](CCCCCCC(=O)O)(c1ccc(F)cc1F)NCC2 962921650 PGORNDPJJQFPKV-HSZRJFAPSA-N 419.516 4.636 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C 963049909 WGDAHOQLTMHBHN-RUZDIDTESA-N 421.541 4.553 0 1 HJAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21NCCc2c(Cl)cc(Cl)cc21 963101455 BAQZZUVBCHETHT-QHCPKHFHSA-N 424.283 4.674 0 1 HJAF Cc1cc(Cl)cc(N=c2[nH]c3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)c1 1857538967 AYAWNNUZOQOFGN-UHFFFAOYSA-N 417.321 4.931 0 1 HJAF CCc1ccc2nc(N3CCC(N[C@@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1 1857582910 NCMLJUYBNDZNQL-INIZCTEOSA-N 407.562 4.759 0 1 HJAF COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCC(=O)O)cc1 1857756350 FHQIIKRFNZDFNJ-UHFFFAOYSA-N 418.445 4.606 0 1 HJAF CC(=O)OCC=C(CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C(=O)O)COC(C)=O 2356573159 BKCYJXFNFNVGFG-SGKWCMOWSA-N 420.546 4.683 0 1 HJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4C[C@H](CC5=CN[C](N)C=C5)CC5(CCCC5)C4)(C[C@@H](N)[C@H]31)O2 2356825305 CYTUPJOICIBSAK-NGKRWDONSA-N 424.653 4.910 0 1 HJAF COc1ccc(N[C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)cc1OC 12436409 DEEJEYDLDHHKGK-IBGZPJMESA-N 407.514 4.519 0 3 HJAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(Cl)cc1c2=O 61921277 BMTTYUWTPFTLOA-LJQANCHMSA-N 403.869 4.777 0 3 HJAF CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCC 4213784 NKPHOSILLFLLCD-VQTJNVASSA-N 420.550 4.643 0 1 HJAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCN(C(C)C)C(C)C)nc(C)nc21 7991792 TZZAJBPMSURUIN-UHFFFAOYSA-N 412.557 4.882 0 1 HJAF Cc1cccc(NC(=O)CCCN2C(=O)c3cccnc3Sc3ccccc32)c1 8912141 DAKOQBYXKBIJGP-UHFFFAOYSA-N 403.507 4.920 0 1 HJAF CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(-c3ccco3)cc2)nc1 36338755 FJZDGABVDIUYOM-UHFFFAOYSA-N 415.421 4.535 0 1 HJAF Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 36338826 ZXLFIHLBHMLHFJ-UHFFFAOYSA-N 414.347 4.530 0 1 HJAF CCCC[C@@H]1CN=C2N(CC[C@@H]3C[C@H]4CC[C@@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21 40410985 KWTDWBFTETWUMK-ODTAKUCXSA-N 409.618 4.979 0 1 HJAF Cn1c(O)c(C2=Nc3ccccc3N[C@H](c3cccs3)C2)c(=O)c2ccccc21 68591712 GBYNRNAIVAGNAK-KRWDZBQOSA-N 401.491 4.983 0 1 HJAF biogenic COCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179131 JZMBECPFZWDWNZ-UHFFFAOYSA-N 407.905 4.714 0 1 HJAF COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)[nH]2)cc1 103172531 QAEACDAIKHMHKE-UHFFFAOYSA-N 404.491 4.823 0 1 HJAF NCCNCCNCCNC(CCCC1CCCCC1)CCCC1CCCCC1 169315393 CKIRSDQFPJCZCL-UHFFFAOYSA-N 408.719 4.584 0 1 HJAF CCCCCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359644 FZSXHRMZIAUGIF-ZWMHXEIYSA-N 402.623 4.772 0 1 HJAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC2CCCCC2)c1 169707050 QPZCYFNZRQJQPW-OAQYLSRUSA-N 422.573 4.548 0 1 HJAF Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220406446 NQQAYRCHKYZLLS-UHFFFAOYSA-N 418.932 4.752 0 1 HJAF Cc1sc2nc(-c3ccncc3)nc(N3CCCNCC3)c2c1-c1ccccc1 223666804 LAFZSPXFXQFHGV-UHFFFAOYSA-N 401.539 4.528 0 1 HJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]c4cnccc34)c12 225373501 HCUCIJYVGFNKLN-UHFFFAOYSA-N 410.437 4.935 0 1 HJAF CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@@H](O[C@H]5c3ccoc3)O2)C[C@@H]1[C@]1(C)C=CC(=O)O1 238767158 YMOQSWLZEWLLIG-GVSGDTRVSA-N 424.493 4.577 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(Cl)c2[nH]1 586938497 WDNRYBASRQBQGG-INIZCTEOSA-N 423.991 4.606 0 1 HJAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(F)cc2[nH]1 587080939 VNOLALSZAQHSAO-CYBMUJFWSA-N 407.674 4.842 0 1 HJAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 587229622 ACUCOPMPFGJQEN-RBUKOAKNSA-N 409.555 4.751 0 1 HJAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348316 WBVJBRMIIDZXHB-IEFSCDDCSA-N 417.480 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccnc3CC)c1)CC2=O 587470163 ITYOGJBWJNTHFI-HSZRJFAPSA-N 420.509 4.867 0 1 HJAF O=C1C[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 587507415 QIZLKFXNTKMJRJ-OAQYLSRUSA-N 405.277 4.904 0 1 HJAF CC(C)N1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587595043 ODTHZNBQQPMLLA-RCZVLFRGSA-N 401.462 4.866 0 1 HJAF CCCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610841 HGRRHWLEECTFDT-JPYJTQIMSA-N 424.522 5.246 0 1 HJAF O=C(c1cc2cc(Br)ccc2s1)n1ncc2ccc(Cl)cc2c1=O 587653806 LLQYRUHIZPFDGD-UHFFFAOYSA-N 419.687 4.716 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)nc2)N1 587766358 NEYAIOJJXOCZSD-ZUOKHONESA-N 404.327 4.597 0 1 HJAF CCOC(=O)C[C@@]1(CCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795245 IFEQDCGHXINGHG-BFUOFWGJSA-N 400.332 4.707 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)no2)N1 587799252 XLAWKGHWQAGFRI-MPBGBICISA-N 417.278 4.779 0 1 HJAF CCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800849 ZYRSYGFMEBOEBZ-TVZGQMOCSA-N 400.332 4.707 0 1 HJAF CC[C@@]1(c2ccc(OC(F)(F)F)cc2)NCCc2cnc3c(OC)cccc3c21 963048104 RXVBTSFJQYXCEG-NRFANRHFSA-N 402.416 4.941 0 1 HJAF 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O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cccc3c(F)cccc23)N1 962622148 BATSPIMOILICSO-MOPGFXCFSA-N 405.347 4.566 0 1 HJAF COc1c(C=O)cc(C)cc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962636797 JDYFKBFBNQXDMF-OZXSUGGESA-N 412.533 4.652 0 1 HJAF COc1cccc2c1CC[C@@]1(C2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962962510 VVLWKXFUEOAILT-QHCPKHFHSA-N 417.471 4.750 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)[C@H](C)Oc1ccccc1-n1cccc1 963613672 VNQBRNRQZYUUOM-DPOKWSEZSA-N 406.526 4.711 0 1 HJAF O=C(Nc1ccc(F)cc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 1772617406 QEZPCXWVVWSRRT-UHFFFAOYSA-N 400.397 4.909 0 1 HJAF CC(C)N1CCN(c2ccc(-c3n[nH]c4nc(-c5ccc(O)cc5)ccc34)cc2)CC1 1857561366 QKJQZCYLVKQQKT-UHFFFAOYSA-N 413.525 4.528 0 1 HJAF O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc21 11536228 ZDIUGIKYBAWLSY-UHFFFAOYSA-N 410.804 4.997 0 1 HJAF CN(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)c1ccccc1 26957605 OKVPDEXTEJGPIM-JRMIMQNLSA-N 406.570 4.563 0 1 HJAF 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4.515 0 1 HJAF COc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(Cl)n1 587086405 IWUDVSGFVZBKPC-UHFFFAOYSA-N 417.488 4.812 0 1 HJAF Cc1ccc2c3c(cc(-c4ccc(CS(C)(=O)=O)cc4)nc13)-c1ccccc1C2=O 587101471 GOGXAHGPILAWHI-UHFFFAOYSA-N 413.498 4.966 0 1 HJAF CC(C)Oc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br 587162333 AYHQJYDHJDMYLU-GOSISDBHSA-N 406.299 4.903 0 1 HJAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343046 AAGPGAAACRZFPU-NFBKMPQASA-N 409.413 4.612 0 1 HJAF CC(C)n1ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343433 SVEXSQGWZKAUOD-LADGPHEKSA-N 406.457 4.899 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)O2 587379900 MJSSQASOJLZJHL-HNNXBMFYSA-N 403.866 4.679 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)O2 587403100 FMCGSTYIFBJQTI-LMKMVOKYSA-N 401.462 4.674 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(F)cc1)C(=O)OCC)CC2=O 587469171 XKCYZKGMHIXVQV-CYFREDJKSA-N 414.473 4.630 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(=O)O)cc1)CC2=O 587489803 PGLASQOJJONEPN-RUZDIDTESA-N 402.446 4.952 0 1 HJAF CN(Cc1cccc(Cl)c1)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499990 KYMYNQYFOCHBRS-XMMPIXPASA-N 411.929 4.991 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccc(F)cc1 587572332 SARSLVJVSXMDKL-RCZVLFRGSA-N 413.404 4.832 0 1 HJAF CC(C)[C@]1(CCc2cccc(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576413 GWBOPSIJKHUATL-RDGATRHJSA-N 403.478 4.964 0 1 HJAF COC[C@@]1(c2cccc(Cl)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587723806 CIUJMBHOANTKFB-MGNBDDOMSA-N 416.693 4.805 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C)c2-c2ccccc2)N1 587763296 JEHGLZYEQAQPHG-BLVKFPJESA-N 400.295 4.612 0 1 HJAF CCN1C(C)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21 587773104 IYXKMSLTGBHIAT-LAJNKCICSA-N 416.338 4.692 0 1 HJAF CCOC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587792310 BOZLMCDZSDPCGM-XCLFUZPHSA-N 420.322 4.973 0 1 HJAF CCC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587810942 YNFWZBNDSZKEHX-GIPWTMENSA-N 422.294 4.536 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(O)ccc32)N1 587829806 CMCVBEOUWJHCND-BIBXISHDSA-N 406.295 4.633 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587833291 MTXBRWYNUPRTKE-PRWKNARSSA-N 406.295 4.633 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1C 587862722 WRKMXKNBLQEHHR-AWEZNQCLSA-N 404.388 4.994 0 1 HJAF Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962714973 SMNGQEBZISCKBX-DYESRHJHSA-N 418.390 4.698 0 1 HJAF CC(C)Oc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)c1 1857585112 RSXFBTDJANECDW-UHFFFAOYSA-N 412.493 4.743 0 1 HJAF CCCC(=O)Nc1ccc2c(c1)-c1c(OCC3CC3)c(OC)cc3c1[C@H](C2)N(C)CC3 1911580320 GASGRPBEZJRRMT-NRFANRHFSA-N 420.553 4.975 0 1 HJAF C[C@@H]1Oc2c3c(c(C(=CC(=O)O)c4ccccc4)c(O)c2C(=O)[C@@H]1C)OC(C)(C)C=C3 2356535294 SSJOJPHKKKSPGS-KGLIPLIRSA-N 420.461 4.692 0 1 HJAF CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC[C@@](C)(OC(C)=O)[C@@H]21 2356579543 DQDZRAFQWKGBTQ-ZTJQIGGLSA-N 406.563 4.826 0 1 HJAF CC[C@@H](C)C[C@@H](C(=O)NC=Cc1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 2356646280 WLLVVSXRRHFJGE-KOSHJBKYSA-N 405.542 4.897 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C@@H](N)C=C4)C3)CC[C@H]1[C@H](N)C2 2356838176 LQYBFJPMMGKAMZ-BDALHLQXSA-N 413.650 4.746 0 1 HJAF COc1c(C)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1C 3814615 PDCZAMUFMIGSAE-UHFFFAOYSA-N 424.444 4.587 0 1 HJAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCCC(C)C)C1 5056231 XMBLJBUFBUCVJE-SFHVURJKSA-N 403.954 4.678 0 1 HJAF CCN1CCN(c2ccc3nc(Nc4c(C)cccc4Cl)c4cncn4c3c2)CC1 13860325 RKSZTMLSABQFGH-UHFFFAOYSA-N 420.948 4.730 0 1 HJAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)CC1 28008637 AFHUPZPEWDFMRM-PZJWPPBQSA-N 424.894 4.545 0 1 HJAF O=C(NC[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1 28522934 RRUKXLMFIFTNGF-DEOSSOPVSA-N 424.564 4.639 0 1 HJAF CCC1=C(c2ccccc2)c2ccc(OC[C@H](O)CO)cc2CCc2ccccc21 33889745 PWNFKFQZMLZBNA-JOCHJYFZSA-N 400.518 4.886 0 1 HJAF CN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)(c2ccccc2)CC1 40421395 FFLHDIGZHOSZGS-UHFFFAOYSA-N 405.586 4.606 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCC4)C[C@H](c4ccc(OC)cc4)C2[C@H](O)C3)cc1 40810671 HWQISLZWCOZLRA-MUUWIZIASA-N 407.554 4.580 0 1 HJAF O=C(Nc1cccc(F)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1 40899293 MEWSLTZRULAUFE-UHFFFAOYSA-N 414.491 4.586 0 1 HJAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc([C@H](C)O)ccc3o2)cc1 45340297 OFJBRVPKOCARGK-INIZCTEOSA-N 402.450 4.874 0 1 HJAF CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(Cc3ccccc3)cc2)c1 49051669 YLTHGBHVBCBJTO-UHFFFAOYSA-N 418.537 4.897 0 1 HJAF CCN1C[C@@H](CN2CC=C(c3c[nH]c4ccc(F)cc34)CC2)Oc2c(OC)cccc21 53267915 RHLFEBLPGQLRJW-LJQANCHMSA-N 421.516 4.692 0 1 HJAF Cc1cnccc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72109320 LSABCIMCWCWEEJ-UHFFFAOYSA-N 402.404 4.575 0 1 HJAF Cc1nc2c3c(ccc2s1)NC1=C(C(=O)OC1)[C@H]3c1ccc(Br)cc1 73159803 WPBXAYGDJXNXAE-HNNXBMFYSA-N 413.296 4.736 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95568753 RHJILHMKDZKQLE-AGILITTLSA-N 420.459 4.622 0 1 HJAF CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95578787 RJNCQVNJJVUHAL-OAQYLSRUSA-N 413.949 4.892 0 1 HJAF COc1ccccc1OC[C@@H]1COC(COc2cccc3[nH]c4ccccc4c23)=N1 96939765 GCNRIHIVCPYMIG-MRXNPFEDSA-N 402.450 4.585 0 1 HJAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)cc1 100105924 YAYMBSBYUYDBAR-BKFWDETESA-N 401.485 4.773 0 1 HJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cc(OC)ccc1OC 104038901 BKADZCGUAPWNGE-MRXNPFEDSA-N 413.499 4.525 0 1 HJAF CC(C)CC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 141695316 XVYULSBWZZVYNY-UHFFFAOYSA-N 407.539 4.912 0 1 HJAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H](C)CN(C)Cc1ccccc1 148959893 LSNQHHPIVSZBTR-OAQYLSRUSA-N 424.585 4.601 0 1 HJAF COc1cccc(Cc2nc(-c3sc4ccccc4c3OC3CCNCC3)no2)c1 169307408 SUODRCVHKFQDJC-UHFFFAOYSA-N 421.522 4.682 0 1 HJAF CCCCCNC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169359646 FZSXHRMZIAUGIF-ZMSCREDJSA-N 402.623 4.772 0 1 HJAF COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 169720987 IIOHKXDENDKFQI-SFTDATJTSA-N 403.526 4.775 0 1 HJAF O=C(Nc1ccccc1)N1CCN(Cc2ccccc2OCc2ccccc2)CC1 200260938 OEFAKTXTRUUKMV-UHFFFAOYSA-N 401.510 4.615 0 1 HJAF Fc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c([C@H]3CCCNC3)cc12 226048603 QVMZAWNUEPRENC-KRWDZBQOSA-N 401.489 4.843 0 1 HJAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c12 586899715 RRHVHRJFGXZHIC-BJHJDKERSA-N 421.394 4.992 0 1 HJAF Sc1nc(S)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071599 PZUVCFNDQPNEKQ-UHFFFAOYSA-N 400.916 4.830 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCNc3nc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587329710 LXOZJFRIRNDZIL-SIKLNZKXSA-N 410.832 4.650 0 1 HJAF CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N 587329770 APIWEBHRFKHOLM-LADGPHEKSA-N 407.441 4.787 0 1 HJAF Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 587342610 OJMFVKCDPOAXNV-ZJSXRUAMSA-N 402.425 4.692 0 1 HJAF CC(C)n1ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343431 SVEXSQGWZKAUOD-ISKFKSNPSA-N 406.457 4.899 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)sc1Br)O2 587409303 HNGPFYHWFNPDPH-LLVKDONJSA-N 417.122 4.870 0 1 HJAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587411564 DSHSJUNVHAMBTN-JLTOFOAXSA-N 403.272 4.735 0 1 HJAF COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587415635 WHPJLQOFANOWDZ-XMMPIXPASA-N 420.534 4.627 0 1 HJAF O=C1C[C@@](c2ccc(Oc3ccccc3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587529483 OILGBCTZGGAMHT-AREMUKBSSA-N 416.473 4.529 0 1 HJAF O=C(O)CCC(=O)CC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530688 GUYCKOIUVJBZEK-HSZRJFAPSA-N 412.507 4.702 0 1 HJAF Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587540642 PZZQOVZHLSCZHG-PXNSSMCTSA-N 412.239 4.561 0 1 HJAF Cc1ccccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584153 WVOORLFNRHGNCP-JOCHJYFZSA-N 401.462 4.701 0 1 HJAF O=C(c1ccc(Cl)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658210 LNECJQLEDOPMQF-UHFFFAOYSA-N 402.809 4.745 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2N)(C(F)(F)F)N1 587701725 CWBCDADOMGMKCY-FVMDXXJSSA-N 403.217 4.511 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)c(F)c2)N1 587725052 MSPBSERFZKGKNS-JEOXALJRSA-N 404.258 4.537 0 1 HJAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587742316 KPCFICSOSARIPT-RNODOKPDSA-N 405.311 4.675 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1 587747393 QCBXOAIRVAIDKC-BIBXISHDSA-N 405.311 4.509 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(N)ccc12 587748518 XNOUXFYSHOAJIF-YTEVENLXSA-N 409.302 4.977 0 1 HJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587831238 HOKUJANASRRYJU-LAJNKCICSA-N 420.322 4.936 0 1 HJAF COc1ccc(Cl)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)n1 962632681 FWJSONMUMOSFOM-YADARESESA-N 405.929 4.580 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1ccc(C(=O)c3ccccc3)cc1)N(C)[C@@H](C)C2 962642512 VXSWCSXQCMJYRB-SSOJOUAXSA-N 401.506 4.901 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2[C@@](C)(C1)C[C@@]21NCCc2cccc(-c3ccccc3)c21 962667767 MCMUVUNHNJLPMA-RMUDUWAUSA-N 404.554 4.972 0 1 HJAF Cc1ccc(-c2nc([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)cs2)cc1 962962850 HTPJQSNWBUOVMP-KSSFIOAISA-N 420.868 4.738 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(Br)cc1)C(C)C 963631241 CHLHJWLOBQFBQU-LHSJRXKWSA-N 404.348 4.900 0 1 HJAF COc1ccccc1-c1cc([C@@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 1772639195 PLKYITBIUYKXKW-MRXNPFEDSA-N 406.360 4.679 0 1 HJAF Cc1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1 1772640706 UKHSKMVFGGAFFY-UHFFFAOYSA-N 401.499 4.653 0 1 HJAF C[C@@H]1C(=O)c2c(O)c(C(=CC(=O)O)c3ccccc3)c3c(c2O[C@@H]1C)C=CC(C)(C)O3 1857646513 SSJOJPHKKKSPGS-UONOGXRCSA-N 420.461 4.692 0 1 HJAF O=C(Nc1ccc2nc(O)sc2c1)c1ccc(OC(F)F)c(OCC2CC2)c1 1857763419 DUVYRSZERFDDDN-UHFFFAOYSA-N 406.410 4.644 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](OC(C)=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]12 2356561367 AGNUMQPIOAPNHN-WTSLEWJLSA-N 418.574 4.708 0 1 HJAF COC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)oc2ccc(OC)cc2c1=O 13820335 NMNUVYMTJVUGDE-UHFFFAOYSA-N 416.429 4.834 0 1 HJAF CC(C)CCn1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26390214 OKYNZQYPYOQRPL-UHFFFAOYSA-N 408.420 4.925 0 1 HJAF O[C@H]1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 28822095 FWIUHLWLODRVDP-SFHVURJKSA-N 410.739 4.638 0 1 HJAF CC(=O)OC[C@H](O)COC(=O)[C@H]1C(C)=CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)CCC[C@@]21C 38512882 DYTUXZFSCGIMIU-RLBPEOPASA-N 420.590 4.669 0 1 HJAF Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccnc3ccccc23)n1 53229486 CHIVOZVKHKVOAI-UHFFFAOYSA-N 419.488 4.685 0 1 HJAF O=C(Nc1ccc(Nc2nc(-c3cccnc3)cn3ccnc23)cc1)c1ccccc1 64527214 TUVOCSLEDZZBSS-UHFFFAOYSA-N 406.449 4.787 0 1 HJAF CCCCOc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1 72175223 WJLWSPYJADFRCA-UHFFFAOYSA-N 402.494 4.699 0 1 HJAF CC(C)(C)c1cc([C@@H](O)[P@](=O)(O)CCc2ccccn2)cc(C(C)(C)C)c1O 82052757 VMLPPPZLLAQXPF-FQEVSTJZSA-N 405.475 4.886 0 1 HJAF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCC2)nc1-c1ccc(F)cc1 82140550 JFJYGUUDWYOBOL-UHFFFAOYSA-N 422.479 4.749 0 1 HJAF Cn1cnc2c1CCN(C(=O)Nc1ccc(F)cc1)[C@H]2c1ccc(C(F)(F)F)cc1 84759616 ZSTGYKXUKMGRAN-IBGZPJMESA-N 418.394 4.758 0 1 HJAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(C)c3)cc2)cc(OC)c1 100106830 ABULUKUTUXEQCH-UQWUFBTJSA-N 414.549 4.619 0 1 HJAF COc1ccc([C@@H]2C(c3ccccc3)=NO[C@]23CSc2ccccc2C3=O)cc1 103190274 ALLFBYZEWBKUOB-ZJSXRUAMSA-N 401.487 4.941 0 1 HJAF CCCN(CCC)C(=O)C[C@H]1C(c2ccc(Cl)cc2)=N[C@@H]2C=CC(Cl)=CN12 169714858 AGKYWEYHIUTMKX-OALUTQOASA-N 406.357 4.828 0 1 HJAF CC1(C)CC(=O)[C@@H]2C(=Nc3ccc(C(N)=O)cc3N[C@@H]2c2c(F)cccc2Cl)C1 169722097 YPSXWBIZXVOCLL-VQTJNVASSA-N 413.880 4.823 0 1 HJAF C/C=C/C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1CC(=O)OC 586991892 KXXHZZGCCRWUOI-RYIMYRPNSA-N 413.473 4.937 0 1 HJAF NC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998899 RTLSZKREFLRBGI-YFHOEESVSA-N 408.255 4.855 0 1 HJAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cs1 587019113 GPIOCDGNENASRK-UHFFFAOYSA-N 419.297 4.956 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(F)cnc(Cl)c3[nH]1)N2 587030282 CHZMEQILWAPOMN-SMSHQHMSSA-N 423.926 4.877 0 1 HJAF Cc1cc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144065 FWLLJYRABHRUEP-UHFFFAOYSA-N 408.360 4.880 0 1 HJAF CCCCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587158522 XIZLEDKMZPJKIG-RNODOKPDSA-N 418.310 4.985 0 1 HJAF CCCCOc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br 587158527 XIZLEDKMZPJKIG-ZUOKHONESA-N 418.310 4.985 0 1 HJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587195577 JJBBWXQOPVYTAG-UHFFFAOYSA-N 408.502 4.611 0 1 HJAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587258806 SUYHAYBMUDGOAD-INIZCTEOSA-N 413.403 4.549 0 1 HJAF C[C@H](CCCCC(=O)O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351337 JMSKIWLQANRTAB-ZQQNNKCXSA-N 400.446 4.930 0 1 HJAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353364 YUVDSIVJTILILU-DMJKVCEISA-N 412.457 4.628 0 1 HJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=CN4NC=NC4=NC2=CC3)c1 587363913 UGQHJBZLVSVOPH-UHFFFAOYSA-N 419.444 4.656 0 1 HJAF CC(=O)N(c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1ccccc1F 587385178 MPSCERLAJOTNNX-IBGZPJMESA-N 411.458 4.564 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)c(OC)c4)cc1)[C@@H](C2)C3=O 587444632 WPOXRKMOTTXLSM-NBGIEHNGSA-N 400.430 4.672 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(=O)n(Cc3ccc(C)cc3)c1)CC2=O 587486824 MAFDDFWETVCCSM-HSZRJFAPSA-N 403.478 4.570 0 1 HJAF O=C(O)CC[C@@]1(CCC(=O)c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587531116 JRXLZFGHQIIIHU-QHCPKHFHSA-N 412.507 4.859 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)cc1 587617569 KIYMWXFAILGFIS-URXFXBBRSA-N 419.502 4.648 0 1 HJAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1O 587693730 OBJGBFWHDNMLLF-ZKANADHPSA-N 400.675 4.579 0 1 HJAF CCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587715641 CGPAMUIKXUJAFE-PSLIRLAXSA-N 420.248 4.837 0 1 HJAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 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C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cnccn2)N1 587773084 HXGSJIBVTREFOY-FKIZINRSSA-N 414.278 4.794 0 1 HJAF Cc1ccc([C@]2(c3ncccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587774135 LQKAMOMEIJCIAN-QKKBWIMNSA-N 412.306 4.513 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587825178 GIAREXYLRUDRMH-YRZPBDNOSA-N 410.327 4.619 0 1 HJAF CCOC(=O)[C@@](C)(CC)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950323 DNAFZYBEIFGHTR-WOJBJXKFSA-N 413.480 4.551 0 1 HJAF Fc1ccc2c(c1)OCCC[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958332 OCJWQGJCHQVIPW-QFIPXVFZSA-N 421.434 4.912 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc3ccc(F)cc3[nH]2)N1 963171744 BVHXEXNYXHBCCG-IAGOWNOFSA-N 412.770 4.668 0 1 HJAF Cc1ccc(N(C(=O)c2ccc[nH]2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 1857565306 YUYSRAKIEONAHJ-QHCPKHFHSA-N 416.525 4.555 0 1 HJAF C[C@@H](N=c1nc[nH]c2[nH]c(-c3ccc(CO)cc3)cc12)C12CC3CC(CC(C3)C1)C2 1857628873 SOAUXWJOIIPFCM-UVCKPZQWSA-N 402.542 4.556 0 1 HJAF FC(F)(F)Oc1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1857644863 CCRDTUVQAPCPFB-YVNJGZBMSA-N 406.492 4.980 0 1 HJAF CC1=C(CCC(=CC[C@H](O)[C@@H]2COC(=O)C2)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1 2356460630 DEISXVKTBRGZKW-ZNNUDVHBSA-N 404.591 4.942 0 1 HJAF COc1cccc(CNc2nc3cc(-c4ccccc4C)sc3c(=O)n2C)c1OC 61896269 GTHMDRLMEANBQD-UHFFFAOYSA-N 421.522 4.600 0 3 HJAF C[C@H](CCN1CCC(CN2C(=S)NC[C@H]2Cc2ccccc2)CC1)c1ccccc1 61936197 UMYBLLPNACKECR-PXDATVDWSA-N 421.654 4.694 0 3 HJAF CCCC[C@H](NC(=O)OC(CCC)CCC)C(=O)C(=O)N[C@H](C)c1ccccc1 13589444 IFUBKPLZDOHKCJ-XLIONFOSSA-N 404.551 4.687 0 1 HJAF Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc12 28374652 UPAXCAWDOHVGQM-UHFFFAOYSA-N 422.960 4.520 0 1 HJAF COc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1 29040188 KDRSPTWAMFFEMK-UHFFFAOYSA-N 403.461 4.961 0 1 HJAF CN(CCCNCc1coc(-c2ccccc2Br)n1)c1ccccc1 72102821 GUIXBGMMJSAVKE-UHFFFAOYSA-N 400.320 4.720 0 1 HJAF O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccccc1 101132310 CTTZSRMQXNNSPG-HSZRJFAPSA-N 423.299 4.806 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)c(Cl)c1)c1ccccc1 103215549 OOAWORWHFDVFSJ-QGZVFWFLSA-N 402.742 4.586 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2cccnc2)c1 166826845 HMAWMGSERKTLSM-UTKZUKDTSA-N 402.494 4.876 0 1 HJAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2ccc(OCC)cc2)c1 169348577 FQNNBSCUWLROOG-KPKJPENVSA-N 415.287 4.584 0 1 HJAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224760636 BBFUEKIFQLQZBT-UHFFFAOYSA-N 424.501 4.508 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299876739 GFBBCSZINJABQE-ULLYJBBUSA-N 418.578 4.622 0 1 HJAF COc1ccc2c(C)c(CCc3nc4cc(Cl)c(F)cc4[nH]3)c(=O)oc2c1C 586919281 YWQHGMIDAHCUPI-UHFFFAOYSA-N 400.837 4.872 0 1 HJAF Fc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(F)c1F 586984789 IYPWPGYBZKJUED-KRWDZBQOSA-N 410.237 4.928 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c(F)c2)c1 587147144 IHNMQNXRNDKTKC-UHFFFAOYSA-N 424.359 4.580 0 1 HJAF 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GETIXAWIUXALDB-SPLOXXLWSA-N 414.322 4.651 0 1 HJAF COc1ccc2c(c1)C=C([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)CO2 587833071 FHWOPHQHCZGQFQ-PRWKNARSSA-N 404.279 4.648 0 1 HJAF CN(C)[C@H](Cn1c(O)cc(-c2ccc(F)cc2)c1O)c1cccc(Br)c1 587941281 RFRAUTGFJBTHTB-GOSISDBHSA-N 419.294 4.771 0 1 HJAF Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2cccs2)cc1 618006362 WUZFIJXHYVLRCK-UHFFFAOYSA-N 414.552 4.507 0 1 HJAF Cc1c([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cccc1C(F)(F)F 962641559 POSQYLOJPKGLTC-CZUORRHYSA-N 419.321 4.601 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1ccc(OCCN)cc1 963221818 AVCGTYOINXSMSJ-JIPXPUAJSA-N 400.566 4.973 0 1 HJAF C/C=C/C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2CO)C1 1857544546 KXOGPQCIYOFRQH-NLDVTHOVSA-N 417.509 4.574 0 1 HJAF COc1cc(OC)cc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)c1 1857589705 FWCQDCYOLXUEBO-UHFFFAOYSA-N 415.371 4.979 0 1 HJAF Cc1c(C(=O)NN2C(=O)[C@H](C)S[C@]23CCC[C@H](C)C3)[nH]c2ccc(Cl)cc12 1911577328 XZBWAFAXNGHCTI-LOOLNKMNSA-N 405.951 4.645 0 1 HJAF CCCCC(=O)[C@@]12CC[C@@H](C=C1C(=O)OC)[C@H](CCC)[C@@]21OC(=O)c2ccccc21 2356409835 UEOQSTYKYFTKDQ-UNZKAFMDSA-N 410.510 4.737 0 1 HJAF CC(=O)NCCCN(CCCN1CCCCC=CCCCCCCCC1)C(C)=O 2356595609 NRDQQWPDWIXTER-UHFFFAOYSA-N 407.643 4.524 0 1 HJAF CCOC(=O)OC[C@H]1O[C@@H](CCc2ccccc2)CC[C@@H]1Oc1ccc(OC)cc1 7992530 YJHAZGIAAHLKAT-ACIOBRDBSA-N 414.498 4.796 0 1 HJAF CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]12 11592719 LXMSZDCAJNLERA-WJEUCWBXSA-N 416.583 4.852 0 1 HJAF O=C([C@@H]1CS[C@H](c2cccnc2)N1)n1ccc2cccc(OCc3ccccc3)c21 13737442 BJENIYJBEWYWPI-NZQKXSOJSA-N 415.518 4.659 0 1 HJAF C[C@@H](C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(=N)N)cc12 14950744 AFEFYKVGLKZFNF-OAHLLOKOSA-N 422.492 4.533 0 1 HJAF COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C)C[C@H]4[C@H]3C2=O)cc1 17217179 VKTZBDQRVLTQFN-CPLTYHBNSA-N 414.505 4.983 0 1 HJAF N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc(Cl)c4)c3O)cc2c1 26376999 FXYCGUGBTUKHEE-UHFFFAOYSA-N 419.868 4.772 0 1 HJAF COc1cccc(NC(=O)[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@@]32C)c1 26952772 FMEUWASIYBNIKU-JRMIMQNLSA-N 422.569 4.547 0 1 HJAF CC[C@](C)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(=O)O 28096294 KMDMEBAGSHHFKW-HSZRJFAPSA-N 410.445 4.782 0 1 HJAF CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2cccc(-c3ccccc3)c2)c1)C(=O)O 71341303 ZDLLLSMGUYNIKU-IBGZPJMESA-N 417.505 4.946 0 1 HJAF CCCCCn1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 72106624 ZXDNDDPLCANRTI-UHFFFAOYSA-N 417.864 4.979 0 1 HJAF CC(C)(C)NC(=O)[C@@H](c1cc[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95595917 HCOSWFSNEAPRBE-HXUWFJFHSA-N 422.529 4.603 0 1 HJAF COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 96172021 YUGCCGGWVYADCQ-YJBOKZPZSA-N 411.464 4.665 0 1 HJAF O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12 96173080 UXTQDECOFADUAA-UHFFFAOYSA-N 414.509 4.861 0 1 HJAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccs1 103190358 SORRHFVAGCRBGU-HNNXBMFYSA-N 424.333 4.874 0 1 HJAF COc1ccc(C2=NO[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2c2ccccc2)cc1 103236552 PPYKRLXBBUZOGZ-AUSIDOKSSA-N 404.853 4.714 0 1 HJAF COc1ccc(-c2nc3cc(-c4csc(C(=O)NCC(C)C)c4)cnc3[nH]2)cc1 103248074 KMIUIHAGKAMAMN-UHFFFAOYSA-N 406.511 4.748 0 1 HJAF O=C1N(c2cccc(Cl)c2)c2cscc2S(=O)(=O)N1Cc1ccccc1 103272847 FCVPTRXDGBJXHV-UHFFFAOYSA-N 404.900 4.864 0 1 HJAF N#Cc1cccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2ccccc2F)c1 115923075 CHAMNUIWADAJAH-UHFFFAOYSA-N 406.413 4.884 0 1 HJAF CCC[C@@H](Nc1nnc(C)c(-c2cc(OC)c(OC)c(OC)c2)n1)c1ccccc1 138612630 HWMMLXPOBNTGQA-GOSISDBHSA-N 408.502 4.826 0 1 HJAF N#Cc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1 143451344 OIASAWFKTZPDOG-UHFFFAOYSA-N 408.255 4.547 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2cscn2)c1 167132352 REGDETKFRWUISP-DNVCBOLYSA-N 408.523 4.937 0 1 HJAF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 204910522 BWTVMVHFJRFVFO-CYBMUJFWSA-N 421.551 4.656 0 1 HJAF Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 226033823 CDZUATRHQBJPDK-MRXNPFEDSA-N 418.932 4.752 0 1 HJAF C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@H](O)C[C@@H]1C(=O)C5 255278108 WUGUIYIFQNTJBB-QHHWSTKPSA-N 411.630 4.836 0 1 HJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)c(Br)cc2[nH]1 586972322 HGKDISUGJPOHTD-SFHVURJKSA-N 418.360 4.744 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN(Cc2ccccc2)C[C@H]1C3 586988918 ZTISSDBOSAQXGE-DYESRHJHSA-N 418.496 4.924 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccnc(Cl)c3[nH]1)N2 587030634 GXZZGVDMZNBBDM-ISAHRAOESA-N 405.936 4.738 0 1 HJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(Br)ccnc2[nH]1 587044469 CFBCONSJPBRWJY-UHFFFAOYSA-N 403.063 4.711 0 1 HJAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587065003 KESFLWZLBYKWNM-UHFFFAOYSA-N 419.293 4.733 0 1 HJAF CN(C)C(=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138628 OORSRZHEUUWYFP-UHFFFAOYSA-N 421.403 4.575 0 1 HJAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587153982 HYWKZRDGEGKXPC-UHFFFAOYSA-N 421.375 4.587 0 1 HJAF Nc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc2ccccc12 587254601 RIBLKCXJDUVDMB-UHFFFAOYSA-N 418.092 4.885 0 1 HJAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359983 TVMIWGZFAVHBPB-ZCYQVOJMSA-N 418.420 4.657 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F 587427236 RAMNGRNYJAOLDT-NTKDMRAZSA-N 418.420 4.777 0 1 HJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 587519137 VCIUVJTZPMMJCL-RQADYFSKSA-N 417.505 4.700 0 1 HJAF O=C(O)c1cc([C@@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587521996 CLXMYWVDMHRTNI-RUZDIDTESA-N 401.462 4.695 0 1 HJAF CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587524443 QNRRPBXCGLOIKU-SANMLTNESA-N 404.506 4.868 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nccs1 587618354 NYPLLWXRYLDHIT-WMZHIEFXSA-N 401.443 4.754 0 1 HJAF O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2c1c(Br)cc1n[nH]cc12 587623564 JNHQEUUJKWZRBW-UHFFFAOYSA-N 407.227 4.693 0 1 HJAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cnn(-c2ccccc2)c1C 587627142 OYXWIAHXEJWNIM-UHFFFAOYSA-N 407.857 4.641 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(C(F)(F)F)cs2)N1 587713033 MGYCIIDLMADORB-NXSYQRQQSA-N 409.246 4.861 0 1 HJAF CCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587715629 CGPAMUIKXUJAFE-BJOHPYRUSA-N 420.248 4.837 0 1 HJAF COC(OC)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587726495 JCDLVYJQDLXROZ-MLCYQJTMSA-N 412.274 4.642 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(F)cc2)N1 587737575 YBWZURQLDNYRRG-ZQFKXBEFSA-N 407.302 4.580 0 1 HJAF C[C@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 587759588 GUZBLFDJOAQSOR-LRAJWGHMSA-N 403.339 4.612 0 1 HJAF COc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805663 HBSAOBZGCOVKFJ-ODXCJYRJSA-N 408.311 4.712 0 1 HJAF CC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824422 WOCMOVAPRINZEX-LBJGKRIESA-N 402.307 4.517 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1c(C)cccc1C 587869301 GKZBLABLIDXSNT-UHFFFAOYSA-N 406.433 4.834 0 1 HJAF COc1ccc(OC(C)(C)C)n1-c1cc(Br)cnc1Br 587941550 WEGTWYNQGPBNIK-UHFFFAOYSA-N 404.102 4.583 0 1 HJAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@@H]3CC[C@@]12C 685935500 MLTYJMYPDLQLJF-DEWOZBFBSA-N 418.574 4.708 0 1 HJAF biogenic,in-vitro COc1cc2c(cc1OC)[C@@](c1cc(C)ccn1)(c1ccccc1OC)N(C)[C@@H](C)C2 962616731 BLGMXILKICOSSP-HFJWLAOPSA-N 418.537 4.584 0 1 HJAF COc1cccc2cc3c(nc12)[C@@H](c1nc(-c2ccccc2)n2ccccc12)NCC3 963061812 YFBGKPZVMUNNTR-VWLOTQADSA-N 406.489 4.793 0 1 HJAF CCCC[C@@]1(C(=O)OCC)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833139 SIMHXENFKUUNCL-RUZDIDTESA-N 406.526 4.841 0 1 HJAF Fc1ccc([C@@H]2CC(c3ccc(OCC4=NCCO4)cc3)=NN2c2ccccc2)cc1 1772581360 LDSAELXLHKOXTA-DEOSSOPVSA-N 415.468 4.989 0 1 HJAF CNC(=O)/C=C/c1ccc([C@@]2(C)c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1 1772654955 OKYJZTJSOYPGON-KLTOOUEBSA-N 416.496 4.617 0 1 HJAF COc1ccc(C(=O)c2[nH]c3ccccc3c2NC(=O)CNc2ccccc2C)cc1 1911571545 TVBXHXYEKQPDKD-UHFFFAOYSA-N 413.477 4.767 0 1 HJAF CO[C@@H]1C[C@H](CC[C@]2(C)[C@H](C)CC[C@]3(C)C(COC(=O)CC(=O)O)=CCC[C@@H]32)CO1 2356518131 GVDOCINBIYBYHQ-MEUFRFETSA-N 422.562 4.572 0 1 HJAF CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)c1 20869159 QGDVAISUVHEJPB-LJQANCHMSA-N 413.587 4.625 0 3 HJAF COc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(Br)cc2)[nH]n1 61929929 SGHWWJGBSVMHLK-UHFFFAOYSA-N 406.667 4.754 0 3 HJAF CC(=O)c1ccc([C@@H]2C=C[C@@H](Oc3ccc(-c4ccccc4)cc3)[C@H](CO)O2)cc1 7992562 RHEUMQFNOLHRJN-NXCFDTQHSA-N 400.474 4.992 0 1 HJAF O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O 13534529 MIFPHQJIIXSYLJ-UHFFFAOYSA-N 423.472 4.655 0 1 HJAF Cc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12 13742582 NXVIFTFINAMVFH-UHFFFAOYSA-N 412.533 4.975 0 1 HJAF CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc2C1 28766146 VBQJPXAAGCZIAK-QFIPXVFZSA-N 411.542 4.520 0 1 HJAF CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1 29054799 WUJDLNGQCIWAGZ-CQSZACIVSA-N 414.456 4.601 0 1 HJAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ncccc2Cl)/C1=C(/O)OCCc1ccccc1 29481994 PKXAPDMIHVZMKK-QUWSGOTNSA-N 413.861 4.830 0 1 HJAF C[S@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CCC3 34284966 BRVYETPRGCQZJA-OHZJNBGDSA-N 415.942 4.975 0 1 HJAF CN(C)c1cccc(-c2ccc([C@@H](O)[C@H]3[C@@H](c4ccccc4)CC(=O)N3C)s2)c1 34295573 SLQYUWHHNUTLNY-CTUHWIOQSA-N 406.551 4.529 0 1 HJAF O=C(O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3F)n2)cc1 43074549 QSYLKBPWJYTDNP-UHFFFAOYSA-N 402.381 4.772 0 1 HJAF CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1 64559396 LDWHLSQVTFWNET-MGGSYEJESA-N 424.511 4.915 0 1 HJAF COc1cccc2c(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cn(CC3CCCCC3)c12 64573082 GZKSAQUUENNDEG-QUCCMNQESA-N 409.574 4.539 0 1 HJAF Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCCC4)n3n2)c1 72181994 XEIHHXWRFDYRMV-UHFFFAOYSA-N 401.489 4.710 0 1 HJAF O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(CC3CC3)cc2)c(Cl)c1 95582891 YQNPLXXALYRLPU-UHFFFAOYSA-N 421.931 4.737 0 1 HJAF CC(C)(C)Cn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 116936959 PTOAOEQLXBBCMP-QFIPXVFZSA-N 416.443 4.867 0 1 HJAF O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 144310090 QXPXFSFJDCPARQ-UHFFFAOYSA-N 401.514 4.826 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 169323759 NVBZLUSKXDCJBQ-APKHVZLNSA-N 402.623 4.580 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)c(F)c3)cnc3ccc(F)cc23)CC1 201537028 QYRGSHCAXRFGPU-UHFFFAOYSA-N 420.456 4.721 0 1 HJAF COc1ccc(C)cc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203006251 YCHVKZNXDCYTAA-UHFFFAOYSA-N 415.295 4.644 0 1 HJAF Cc1ccc(-c2nnc(SCc3nc4c(Cl)cnc(Cl)c4[nH]3)n2C)cc1 586965214 LTGYZMMWIPIVPZ-UHFFFAOYSA-N 405.314 4.661 0 1 HJAF CSc1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587003828 OKCRUZROXIMSBE-JTQLQIEISA-N 403.301 4.683 0 1 HJAF O=C(CSCc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114180 PORWCLUZGUKIPK-UHFFFAOYSA-N 400.813 4.502 0 1 HJAF Cc1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)ccc1NS(=O)(=O)C(F)(F)F 587125871 UTSGJHVCTWYZKK-UHFFFAOYSA-N 409.433 4.679 0 1 HJAF Cc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C 587169853 CMBGBJNHFRIWTP-UHFFFAOYSA-N 401.488 4.848 0 1 HJAF Fc1nc(Cl)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1 587177203 CEEVIYVNFCLRMC-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF Nc1ncc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cn1 587254553 MNZARFBECMXDCA-UHFFFAOYSA-N 405.767 4.821 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)O2 587398423 GVJTYCKEBSBKLE-UHFFFAOYSA-N 414.546 4.873 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc4ccc(Br)cc4s1)[C@@H](C2)C3=O 587453953 SYTUQKLOXORNEJ-GTNSWQLSSA-N 402.269 4.556 0 1 HJAF C[C@@]1(c2cccc3c2OC(F)(F)O3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558093 VELWFOFXNRLGNP-UTKZUKDTSA-N 412.344 4.591 0 1 HJAF CC(C)N1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587595040 ODTHZNBQQPMLLA-DHLKQENFSA-N 401.462 4.866 0 1 HJAF O=C(c1cc2sccc2cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656899 KQACFGUMSSEOFU-UHFFFAOYSA-N 419.412 4.640 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2F)N1 587727257 NDHCFRDANGHPLO-NXSYQRQQSA-N 418.079 4.508 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@]2(c3cccc(F)c3)CCOC2)N1 587735634 YHWFQTOHZNPRSP-TVNIXMEMSA-N 408.286 4.661 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)o2)N1 587841431 BJMLXAPMOOGDKP-BMLIUANNSA-N 420.307 4.746 0 1 HJAF O=C(O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 587942140 VMNRXSNRMJGKSJ-UHFFFAOYSA-N 405.448 4.783 0 1 HJAF CCn1cc(C(=O)N2CCCC[C@@H]2Cc2ccc(OC)c(OC)c2)c2ccccc21 653795352 LETOFERGIVCZGO-LJQANCHMSA-N 406.526 4.916 0 1 HJAF COc1cc(-c2ncn(C)c2-c2ccc3c(c2)c(Cl)cn3C)cc(OC)c1OC 653861822 TTYRDRSQOASFBW-UHFFFAOYSA-N 411.889 4.925 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccnc(-c4cccs4)c3)N12 962672293 SSVRYPHOTAFXIK-ZJSXRUAMSA-N 415.518 4.546 0 1 HJAF Cc1ccn2c([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c(C)nc2c1 962951346 GOIFSGMTUCCDGS-HXUWFJFHSA-N 415.459 4.711 0 1 HJAF COc1ccc(F)c([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962954999 LPDUTLBFZLIIOG-HXUWFJFHSA-N 409.423 4.768 0 1 HJAF COC(=O)c1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)c2)cc1 963637570 STFYYSRBTZMEFG-LMKMVOKYSA-N 417.505 4.781 0 1 HJAF O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC1c2ccccc2-c2ccccc21 12190617 PYSGEEUILJHHPJ-RUZDIDTESA-N 416.546 4.606 0 1 HJAF COc1cc2nc(-c3ccc4c(c3)CC[C@@H]4N(C)C)cc(O)c2cc1-c1cnco1 13487623 FUFKWNOESYQTTD-NRFANRHFSA-N 401.466 4.820 0 1 HJAF C[C@@H]1CCC[C@@H](NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)[C@@H]1C 20386091 UZAIYWUDAMKXAD-JFIYKMOQSA-N 409.555 4.524 0 1 HJAF COc1ccc(OC)c(CN2CCC[C@H](c3nc(C)ncc3-c3ccc(F)cc3)C2)c1 20779532 RTAIKCVHHRAHEH-IBGZPJMESA-N 421.516 4.988 0 1 HJAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(C(=O)O)cc21 28952245 BBVMQUMBGUBCTE-UHFFFAOYSA-N 420.513 4.526 0 1 HJAF CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1 34389590 ATUGFOWGVANOHQ-UHFFFAOYSA-N 404.499 4.905 0 1 HJAF COc1ccc(Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cn1 34820526 BXGQMSIGOYPUDR-UHFFFAOYSA-N 408.310 4.531 0 1 HJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H](C(=O)O)[C@H]1/C=C/C1=CC(=O)O[C@H]1O 39033544 QBUNBRGDEZXPAU-GVKJLEPOSA-N 416.558 4.704 0 1 HJAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc(F)c4)c3c2)CC1 71316892 SSYJBMNQKJRSKP-UHFFFAOYSA-N 418.438 4.757 0 1 HJAF CNC(=O)[C@@H](CCCCCCC(=O)Nc1cccc(-c2ccc(Cl)nc2)c1)N=O 169724781 QTHIZXQOFLSDLG-GOSISDBHSA-N 416.909 4.562 0 1 HJAF COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204170826 XJOQXSSQHKPXSP-UHFFFAOYSA-N 415.497 4.596 0 1 HJAF COc1cncc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12 586916984 BIACALMWJLJDJC-UHFFFAOYSA-N 419.481 4.626 0 1 HJAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2)cc1 586931308 QMNIABVBXUWJGF-UHFFFAOYSA-N 405.523 4.980 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cncc(C)c3[nH]2)c1C=O 586967943 JWMWRFBVNWDGJB-UHFFFAOYSA-N 411.918 4.578 0 1 HJAF Fc1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2cc1-n1cccn1 586976208 FGARPEBXVOPZOY-UHFFFAOYSA-N 421.657 4.883 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(Br)cn3)nc3ccc(O)c1c23 586985438 HHLFLSRFKCXSAK-UHFFFAOYSA-N 403.235 4.976 0 1 HJAF Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(F)ccc4O)nc13)-c1ccccc1C2=O 586997605 ZVUZRFSMFHMUER-UHFFFAOYSA-N 413.404 4.893 0 1 HJAF Fc1cnc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587074772 YDXZPHPTTRSGCV-ZDUSSCGKSA-N 409.690 4.850 0 1 HJAF Nc1c(F)c(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1F 587136467 IAGRTDQNOKCQPS-UHFFFAOYSA-N 421.014 4.754 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4O)Oc4ccccc41)[C@@H](C2)C3=O 587456189 SKWPBVCTMRHSRD-PZGSVQSZSA-N 400.430 4.568 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C[C@H]3CCCN3CC)c1C)CC2=O 587470249 JRCPECODTNRBMT-HOYKHHGWSA-N 410.558 4.954 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1CCCOC)CC2=O 587482401 NVKJVHFMLNFLOB-OAQYLSRUSA-N 414.498 4.647 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CC2=O 587482556 CDPHXQGCLNMPIK-VLVQHTJOSA-N 415.530 4.716 0 1 HJAF CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587525436 OQYKVCYAANQNIN-AREMUKBSSA-N 422.521 4.950 0 1 HJAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593222 KRNKZGDVOHUAIS-RDPSFJRHSA-N 420.417 4.805 0 1 HJAF CCOC(=O)c1c(-c2ccccc2I)[nH]c2cccc(F)c12 587634975 WWKQQDPFZWKSQI-UHFFFAOYSA-N 409.198 4.755 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)cc2)N1 587728355 ALDPHHIDEKKGOP-NSPYISDASA-N 409.274 4.506 0 1 HJAF COc1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1 587759523 ULPSLRZFZUGSRH-GIPWTMENSA-N 403.295 4.712 0 1 HJAF CCOC(=O)C[C@@]1(CC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587793437 FFVQILRCXFVNKS-BUXKBTBVSA-N 400.332 4.707 0 1 HJAF COc1ccc2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587807476 XFZXMKCLZHRSBG-PRWKNARSSA-N 403.295 4.876 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Cl)c(C)n1 587853985 CKCKJQCLUHJEKI-UHFFFAOYSA-N 413.692 4.754 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1F 587861229 OUFUQSUOKHXBHU-GFCCVEGCSA-N 408.351 4.824 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccccc1OC 587864286 JBTLATGMEIJTEX-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF Cc1c(C2CC2)nn2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc12 653711535 QVXYKGOQNNLTNY-UHFFFAOYSA-N 405.885 4.903 0 1 HJAF O=C(Nc1ccccc1O)[C@@H]1CCc2ccccc2N1C(=O)c1cccc(Cl)c1 653823148 KTTFLKQJULJXJG-FQEVSTJZSA-N 406.869 4.646 0 1 HJAF CC1=C[C@]2(c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@H](C(C)C)CC1 963135239 DQHLOFWXOSWZEE-WDUKFBBWSA-N 406.548 4.597 0 1 HJAF COc1cc(Cl)cc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963170919 AXWCBWKOEMADPX-CZUORRHYSA-N 420.214 4.709 0 1 HJAF Cc1cccc(N(C)c2ccc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)c1 963216845 AORDIKNHGQPWRF-IZZNHLLZSA-N 423.516 4.999 0 1 HJAF C[C@H]1c2ccccc2N(Cc2cccnc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772657272 MLTMYDVQCHBUPB-UXHICEINSA-N 400.526 4.763 0 1 HJAF COc1ccc([C@H]2CC(c3cc4ccc(O)cc4oc3=O)=NN2c2ccccc2)cc1 1857744950 XJZMBXWEAOANQL-HSZRJFAPSA-N 412.445 4.863 0 1 HJAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3cccc(C(N)=O)c3)ccc2N1C(C)=O 1857764060 LRSBCNAWSPLFLL-QHCPKHFHSA-N 413.521 4.604 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@@H](C)[C@@]21C 2356534817 JXAWKPXWXJLUMA-GAZWOHCDSA-N 416.558 4.795 0 1 HJAF COc1cc(C=CC(=O)O[C@@H]2CC(C)=C3CC[C@H](C)[C@@H]3C[C@@H]2C(C)(C)O)ccc1O 2356566039 UJHQSMHJLBMXAL-WWMNNVMHSA-N 414.542 4.869 0 1 HJAF COC(=O)c1[nH]cc2c1[C@@]1(CN(C)c3ccc(Cl)cc31)c1[nH]c3ccccc3c1-2 2356786611 AZUBVRJPMVTXFI-QHCPKHFHSA-N 403.869 4.701 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OCC 4055245 RSWXCADRIMFGBY-TZIWHRDSSA-N 400.906 4.747 0 1 HJAF Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 4237933 TVGFRIUNSLIQEN-UHFFFAOYSA-N 401.510 4.701 0 1 HJAF CC(C)=CCc1cc([C@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O 5854702 LAQLCZKPJGMFRM-BJKOFHAPSA-N 408.494 4.793 0 1 HJAF endogenous,in-man CCCCc1nc2cccc(O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13828099 VXTQGEHBJOEDPJ-UHFFFAOYSA-N 424.508 4.980 0 1 HJAF Cc1cccc(Cl)c1Nc1nc2ccc(N3C[C@@H](C)N[C@H](C)C3)cc2n2cncc12 13860327 AVSQBQCRBXKOCO-HZPDHXFCSA-N 420.948 4.775 0 1 HJAF CC(C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)O)oc12 14616141 VUTHGCZKFOZRRG-UHFFFAOYSA-N 406.434 4.978 0 1 HJAF biogenic,in-vitro COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1 28708229 MEIKCNSXEAPYGM-UHFFFAOYSA-N 403.522 4.777 0 1 HJAF CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2 29341273 GDDMAHZXDOKJMP-UHFFFAOYSA-N 412.541 5.000 0 1 HJAF CCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 29571008 RHVMRVHZEJCAKC-DEOSSOPVSA-N 406.614 4.824 0 1 HJAF COc1ccc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC 36338681 YAGUDHLMPZODHX-SDNWHVSQSA-N 403.482 4.550 0 1 HJAF COc1cccc(OC(C)(C)c2nc(N[C@@H](C)c3ccccc3)c3cn[nH]c3n2)c1 45226715 VKNQUBDXPVDRNL-HNNXBMFYSA-N 403.486 4.849 0 1 HJAF COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 72172284 BXEVGYDNXQMVEH-INIZCTEOSA-N 403.461 4.959 0 1 HJAF COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C(F)(F)F)c2=O)cc1 95595600 LMIODELJQMAJPM-UHFFFAOYSA-N 410.779 4.765 0 1 HJAF CCC(=O)c1ccccc1OC[C@H](O)CNCCC(c1ccccc1)c1ccccc1 96941805 JEDQZOXVYJBREO-HSZRJFAPSA-N 417.549 4.831 0 1 HJAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NC[C@H](O)CN 299826435 FZDFYDFEKMGUTM-DOYOFOADSA-N 400.607 4.900 0 1 HJAF COc1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)ccc1Br 586976417 JSUTYYHNGYYUGK-HWKANZROSA-N 409.081 4.662 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc3ncccc3c2[nH]1 587002262 YCIDWCOLFYQUKW-HNNXBMFYSA-N 406.287 4.597 0 1 HJAF COc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1Cl 587259033 VWMVGYPNDAUXKU-KRWDZBQOSA-N 408.889 4.797 0 1 HJAF Nc1cc2c(cc1Cl)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327821 HRXZKAZSGTYJEP-FYYLOGMGSA-N 409.844 4.968 0 1 HJAF CC(C)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587336872 KUBROTFBGOQCNR-RDGATRHJSA-N 417.436 4.541 0 1 HJAF CCOC(=O)[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345488 FOGJJESQGLSFEM-URXFXBBRSA-N 412.457 4.772 0 1 HJAF CC(C)CCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353640 ZQUDOYLKIRMYRS-JTHBVZDNSA-N 400.446 4.628 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357812 OTLBMMRMVIOUNI-LADGPHEKSA-N 406.409 4.924 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)O2 587374900 KIPUMPLWNGQPCV-HNNXBMFYSA-N 403.866 4.679 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1CCC(F)(F)F)[C@@H](C2)C3=O 587422179 SBTZPNFRZUZJPC-YCRPNKLZSA-N 422.399 4.696 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)c(O)c3)o1)CC2=O 587487387 ZMPDLOLTECZBLU-OAQYLSRUSA-N 408.406 4.715 0 1 HJAF COC[C@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566735 APLDLSTZEYRHQC-XMSQKQJNSA-N 414.816 4.688 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2nccc-2c(Cl)c1F 587567391 HMAXSZAGSBKEPC-JLTOFOAXSA-N 410.788 4.716 0 1 HJAF COc1ccccc1C[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599704 HKPHKPLRKFQJAG-RDGATRHJSA-N 404.462 5.000 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)s1 587612252 LNKYLOFOBAFLDE-YJBOKZPZSA-N 403.253 4.919 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccc2C(F)(F)F)N1 587709776 CMSSMJONIQZSTA-XXFAHNHDSA-N 403.217 4.800 0 1 HJAF C/C(=C\[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739491 HKGODIKFIGDGEN-ATLFGEAPSA-N 403.339 4.831 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587744689 SKYBTCHLRVJRSX-QKVFXAPYSA-N 417.322 4.661 0 1 HJAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587793935 FPRDLGMDMUCXLE-AUJRIZCKSA-N 420.322 4.586 0 1 HJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587843919 UXVORCQLOPOPFD-YBTHPKLGSA-N 404.279 4.758 0 1 HJAF CC1=C(c2ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 587955543 MWCLHDGZCDGSBW-OAQYLSRUSA-N 408.505 4.693 0 1 HJAF c1ccc(N2CCN3[C@H](c4cccnc4OCC4CC4)c4ccccc4C[C@@H]3C2)cc1 962643873 WWGSDOFKWPPWDN-BVAGGSTKSA-N 411.549 4.707 0 1 HJAF Cc1cccc([C@]2(c3cncc4ccccc34)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962906388 FWIMVRJGUXCHIB-AHWVRZQESA-N 412.464 4.573 0 1 HJAF COc1cc(-c2ccc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)cc2)ccc1F 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CS(=O)(=O)c1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1 14979906 XBJWLVYGLGRDLJ-UHFFFAOYSA-N 412.511 4.516 0 1 HJAF Cc1ccccc1C(CCN(C(C)C)C(C)C)(CCN(C(C)C)C(C)C)C(N)=O 40465170 KPNQMWJHWWIXCN-UHFFFAOYSA-N 403.655 4.736 0 1 HJAF CN(C)C12CCN(CCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 45283960 DSBAUSQCZVZXKB-DZKOAGKBSA-N 417.641 4.818 0 1 HJAF O=C(Nc1ccccc1C(=O)Nc1cc(Cl)ccc1C(=O)O)c1ccccc1F 84652722 JFYPXTFVLOJKJK-UHFFFAOYSA-N 412.804 4.682 0 1 HJAF O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1 95586311 RSRQFBNVFQZQRN-UHFFFAOYSA-N 414.347 4.808 0 1 HJAF OC[C@@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1 95877645 PDTXHKBXSAOQMH-IEZKXTBUSA-N 406.476 4.981 0 1 HJAF CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2nccn2c1 96914924 ITSOVULNDDPBKK-UHFFFAOYSA-N 408.461 4.738 0 1 HJAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1c(F)cccc1F 117407059 LUIVHTZNEFYWML-UHFFFAOYSA-N 408.330 4.694 0 1 HJAF C[C@@H]1CN(c2ncccn2)C[C@@H](C)N1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 299832449 LXJODPCGTFUTQX-IAGOWNOFSA-N 406.917 4.536 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894464 GTCYSSRDSKRIOH-UHFFFAOYSA-N 423.623 4.687 0 1 HJAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1 587014769 YOVSSQHXLNWWLE-UHFFFAOYSA-N 400.838 4.643 0 1 HJAF Cc1c(Br)ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587132071 IOHSLAGAABRGQM-JTQLQIEISA-N 416.266 4.603 0 1 HJAF COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)nn1-c1ccccc1F 587157112 WEDOGIBEPUXQFM-UHFFFAOYSA-N 421.657 4.979 0 1 HJAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Cl)ncc2[nH]1 587230754 ILCDFGAZNDNFND-UHFFFAOYSA-N 407.861 4.501 0 1 HJAF COC(=O)c1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2c(F)c1Nc1ccccc1 587251360 DSKCIKMAOBTKJO-FMIVXFBMSA-N 402.429 4.985 0 1 HJAF Nc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 587251523 HYSQIQPOYVEELV-BASWHVEKSA-N 424.913 4.770 0 1 HJAF O=C(c1coc2ccccc12)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 587281154 YMGFWUIKLUZKSM-UHFFFAOYSA-N 401.443 4.856 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(C(=O)O)cc3)cc1)O2 587404778 ZKEQLVKWIHJATL-XMMPIXPASA-N 403.434 4.948 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCCN4CCC[C@@H](C)C4)cc1)[C@@H](C2)C3=O 587437932 MBQJJNNNPVRJLI-SUEVOUGKSA-N 421.537 4.685 0 1 HJAF CN(C)/C=C(/c1cccc(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550767 YKGPHEHISHQMOY-NVSCQINXSA-N 421.880 4.979 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(C=O)c(F)c2F)N1 587717099 FLHCHYNKQGCKHC-HQRLLJBISA-N 420.175 4.581 0 1 HJAF COCCC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587729536 HGZAPMPWBXZTMK-ZUOKHONESA-N 410.302 4.932 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1 587745180 VQUJIENVUJNVNY-ZMZPIMSZSA-N 420.326 4.591 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(N)cccc12 587746635 NEELUSAOOKHFHU-IPQOISQHSA-N 409.302 4.977 0 1 HJAF COc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)sc2c1 587857688 MOPYWSBIOGWYLR-XLFHBGCDSA-N 407.308 4.830 0 1 HJAF COCOc1cccc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961778396 DJBIICMDLGWBBO-QHCPKHFHSA-N 424.541 4.910 0 1 HJAF Clc1cc2c(cc1[C@@H]1c3ccccc3C[C@@H]3CN(c4ccccc4)CCN13)OCO2 962628781 DAYVGWZNLJDVJA-CLOONOSVSA-N 418.924 4.905 0 1 HJAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@H](C(CC)CC)N2C(=O)OC(C)(C)C 962707967 LSOMDLNEIKKWCR-AUSIDOKSSA-N 405.510 4.954 0 1 HJAF Cc1ccc([C@H](C)C[C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)o1 963155959 ZOEFMCOBKUCJGT-UGFHNGPFSA-N 406.504 4.526 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c[nH]c2ccc(Br)cc12 963643493 ZWAGGIHGAHQKNM-PRWKNARSSA-N 401.304 4.571 0 1 HJAF CC[C@@H]1O[C@H](c2c(C)cc(C)cc2C)O[C@]1(C)[C@H](O)[C@H](C)COC(=O)C(C)(C)C 2356471898 DYBDTNQGVPNWTP-YPRKWBTBSA-N 406.563 4.781 0 1 HJAF CC(=O)OCC=C(C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@]12C 2356584657 NOSTVBGZPZNMAI-DXHZJSNDSA-N 406.563 4.587 0 1 HJAF C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3CCC[C@H](CC4=CN[C](N)C=C4)C3)CC[C@H]1[C@H](N)C2 2356851518 SHKSOHJKHSOZCN-HCVNOZIBSA-N 412.642 4.910 0 1 HJAF O=C(Nc1cccnc1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61930564 AMHBMSUKCCLCLB-HSZRJFAPSA-N 409.445 4.878 0 3 HJAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCCC2)[C@@H]1c1c[nH]c2ccccc12 2469322 NHESVOSAMPVXMO-RPWUZVMVSA-N 415.537 4.917 0 1 HJAF COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]cc(C)c2CCC(=O)O)c1 3834046 JDISROKFUAYCBM-NDENLUEZSA-N 402.450 4.509 0 1 HJAF CC(=O)Cc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1 27652320 HYPWJFJGJZTCJY-UHFFFAOYSA-N 411.408 4.668 0 1 HJAF C/C=C/[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823236 COYSKMOPPDEVFR-ITDFMYJTSA-N 400.327 4.646 0 1 HJAF CCN(CC)[C@@](C)(CCc1ncnc2cc(OC)c(OC)cc12)Cc1ccccc1 28951221 MDJYMMSITXOPCM-VWLOTQADSA-N 407.558 4.923 0 1 HJAF CNCc1ccc2nc(Cn3c(=O)n(C(C)C)c4ccccc43)n(CCC(C)C)c2c1 28952240 GTOQSLYCGNEQRE-UHFFFAOYSA-N 419.573 4.547 0 1 HJAF COc1cc(OC)cc(C(=O)NC2CCN([C@H](C)c3ccc4ccccc4c3)CC2)c1 36351816 ITWDTBFDZIJAKU-GOSISDBHSA-N 418.537 4.812 0 1 HJAF O=C(N1CCCCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 43011709 QEKKZTBXSULKCC-LJQANCHMSA-N 420.340 4.785 0 1 HJAF in-vivo COc1ccc(-c2nnc([C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC 49807902 LWVBXKIXQMFBBJ-QHCPKHFHSA-N 410.470 4.625 0 1 HJAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCN(C(=O)CO)C[C@@H]21 58643802 LOLVHYOCRQVNRM-PIKOESSRSA-N 417.590 4.808 0 1 HJAF CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@H]1CCCO1 82179017 WTFSIVZSHGVZQS-MRXNPFEDSA-N 419.451 4.589 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3cccs3)ncnc21 82190543 WUMFOKVEHRAQNY-OAHLLOKOSA-N 424.599 4.713 0 1 HJAF CCN(CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(OC)cc3)n2)cc1 95572183 XZBMSDPSHWLRJD-UHFFFAOYSA-N 406.530 4.925 0 1 HJAF CCCN1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21 95755314 MSJWKYOAAHZANG-UHFFFAOYSA-N 423.538 4.852 0 1 HJAF CCN(CC)c1nc(Nc2ccncc2)nc(Nc2ccc3nc(C)cc(C)c3c2)n1 98084096 DHBYRFZICLEELZ-UHFFFAOYSA-N 414.517 4.765 0 1 HJAF O=C(Cc1nc2ccc(-c3ccccc3)cc2s1)NCc1cccc(C(=O)O)c1 139675889 MCMPPHVKCGQGIT-UHFFFAOYSA-N 402.475 4.520 0 1 HJAF Cc1cc(C)c(-c2[nH]nc(C3CC3)c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 141973101 VITCVZQWTIXXAU-UHFFFAOYSA-N 410.521 4.991 0 1 HJAF COCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 149368779 PJUSTKIKSXGBLE-UHFFFAOYSA-N 424.464 4.502 0 1 HJAF CCc1ccc(O)c([C@@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 169296174 NIRMMTQJLKPRRA-HLIPFELVSA-N 409.526 4.710 0 1 HJAF Cc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695173 JVXCSRKIMVNCIE-NHCUHLMSSA-N 416.477 4.538 0 1 HJAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3)cccc2c1 225117600 OENDLOFFFZMFBL-UHFFFAOYSA-N 401.900 4.813 0 1 HJAF CC(C)Oc1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586922337 SZUUWKWJXTYSAP-UHFFFAOYSA-N 406.507 4.991 0 1 HJAF Cc1cnc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 587001622 ORBROJPSGMCWOS-IHWYPQMZSA-N 406.667 4.624 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2cc1OC 587046245 NXMYAKBWXYKSCJ-UHFFFAOYSA-N 418.877 4.722 0 1 HJAF Cc1nn(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)c(C)c1Cl 587064537 CPTLFWZNXODZIL-UHFFFAOYSA-N 402.683 4.843 0 1 HJAF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2c1 587130325 KVBGZDHYPOJVCG-YFHOEESVSA-N 416.424 4.839 0 1 HJAF Cc1cc(Br)c(-c2nc3ccc(Br)c(O)c3[nH]2)cc1F 587137881 QAYFNVOCPGVCCR-UHFFFAOYSA-N 400.045 4.908 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCN(c3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1 587332087 IPMFQWJCAVKJIT-VWNXMTODSA-N 407.416 4.678 0 1 HJAF O=NCC1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587334523 IIMKGBHQGWBIKT-ISKFKSNPSA-N 417.392 4.828 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(C3CCCCC3)cc1)(C(O)O)CC2=O 587489387 MZPJHVBHOJOSKH-RUZDIDTESA-N 410.510 4.564 0 1 HJAF COc1ccc2c(c1Cl)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551682 IKCHIVJJGZXDOV-CVDCTZTESA-N 408.837 4.858 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1Br 587569583 RIWWPDSVUMOAFO-PXNSSMCTSA-N 415.214 4.997 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2OC(F)F)N1 587715557 HWCLEFKSJHXWAA-VPTHRUTESA-N 404.201 4.952 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(F)c2)N1 587722082 YFIDRLNKHIMMJZ-BCTVWOGZSA-N 404.201 4.952 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587829641 RSMBFBCRGFEFCS-SPLOXXLWSA-N 420.322 4.848 0 1 HJAF C[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962641759 YLSVXPQEEKORRX-CXAGYDPISA-N 420.214 4.754 0 1 HJAF CCOc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1OCC=C(C)C 963037794 WBPNROIXQMNQIH-IQGLISFBSA-N 406.526 4.573 0 1 HJAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3c(Br)cccc3C2)cc1 1772635025 KEORNQZCHHOEOE-HNNXBMFYSA-N 413.359 4.595 0 1 HJAF Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(OC(F)F)cc1 3265222 FEOXOHPXLUFMCN-IEBWSBKVSA-N 403.498 4.601 0 3 HJAF O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 13478290 PKFZPFDFKLAVQY-MRXNPFEDSA-N 416.321 4.534 0 3 HJAF C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61904353 RFKDDCKERGKZCF-XMMPIXPASA-N 422.956 4.880 0 3 HJAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)c1 773437 HNHJUBSOOZVJHN-WOJBJXKFSA-N 424.472 4.580 0 1 HJAF N[C@H](COc1cnc(Cl)c(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957638 CQVACJFVYXJFFS-UEKDZROGSA-N 404.901 4.731 0 1 HJAF C[S@](=O)CC(=O)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 26742717 WBRJTHQCHPKHGJ-GDLZYMKVSA-N 419.468 4.813 0 1 HJAF CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2nc(C)sc2C(=O)O)cc1 27309335 CUKHMBMXNYJMMT-UHFFFAOYSA-N 419.934 4.550 0 1 HJAF O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1ccc(Cl)cc1C2)c1ccc(Cl)s1 28353160 VTWUFVAKJVRFNV-BWACUDIHSA-N 402.368 4.527 0 1 HJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12 28712068 YWNFFAWWVXOKPA-CEBWBDALSA-N 407.485 4.751 0 1 HJAF CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 34855153 HWDUAFKFWKQMNB-QGZVFWFLSA-N 414.571 4.713 0 1 HJAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4Cc4nc5ncccc5[nH]4)[C@@H]3CC[C@@H]12 36425414 GSESJPRPQMSNIM-SFBRIWMQSA-N 418.585 4.756 0 1 HJAF in-vivo CCCCCC12CCC(C(=O)Nc3cccc(C(=O)CC(=O)C(=O)O)c3)(CC1)CC2 40876406 VEMFXTMKKXRIAR-UHFFFAOYSA-N 413.514 4.773 0 1 HJAF N[C@@H](COc1cncc(-c2cc3cnccc3s2)c1)Cc1c[nH]c2ccccc12 73280921 IPKHSYHXXAIZDD-GOSISDBHSA-N 400.507 4.788 0 1 HJAF Cc1sc2nc3c(c(NCCCN4C(=O)c5ccccc5C4=O)c2c1C)CCCC3 98082250 IMKKVZOVSQRQPO-UHFFFAOYSA-N 419.550 4.890 0 1 HJAF CC(C)n1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1 103263556 OYLWRVXTMMKXNA-UHFFFAOYSA-N 419.872 4.548 0 1 HJAF CN(C)CCCOCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146597079 XEMMBUQXRZTBTB-UHFFFAOYSA-N 410.587 4.543 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(C)c(F)cc3[nH]1)C(=O)OC2 586915050 GTSBSRCGHSTEFL-LFYBBSHMSA-N 424.472 4.825 0 1 HJAF Brc1ccc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc12 586917637 UEJZIEWPYNZUSQ-LBPRGKRZSA-N 410.065 4.600 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCN(Cc1ccccc1)CC3 586988894 ZEBCNHPZLFSWRL-UHFFFAOYSA-N 406.485 4.753 0 1 HJAF Oc1nc2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc2[nH]1 587000046 DNMGYPKYHHQFPV-UHFFFAOYSA-N 409.243 4.640 0 1 HJAF Cc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br 587014797 ZDWXDJWULQHAGC-UHFFFAOYSA-N 423.336 4.782 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(Cl)c1 587072617 ZHJIMMWIPPRXKQ-AWEZNQCLSA-N 415.877 4.754 0 1 HJAF N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1F 587142674 KMZDRZPVPKLYCN-LLVKDONJSA-N 418.188 4.606 0 1 HJAF Cn1cc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2n1 587342464 NPWPJCDPXLURDR-ISKFKSNPSA-N 402.425 4.692 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C1CCOCC1)O2 587370566 GFFKRZWCPJDSNN-OAQYLSRUSA-N 416.315 4.627 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(OC)c1)CC2=O 587455383 BDXYBLOOIPPCAJ-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF Cc1c(Br)cncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548398 UGMDGXAOPCZJLS-YLJYHZDGSA-N 412.239 4.561 0 1 HJAF C[C@@]1(c2cnc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551532 GNFWCBUHTXVMQO-UZLBHIALSA-N 402.233 4.971 0 1 HJAF COc1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C)c2c1 587759525 ULPSLRZFZUGSRH-YBTHPKLGSA-N 403.295 4.712 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cccn3)cc2)N1 587760249 OGLFBLMSBCLQRW-ZUOKHONESA-N 400.295 4.572 0 1 HJAF CCOC(=O)C[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799675 UEAVKBCNXGNBFY-RBZFPXEDSA-N 412.343 4.851 0 1 HJAF CC[C@]1(c2ccc(OC)cc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587804949 DSLLXOLMTDVULK-MPBGBICISA-N 408.311 4.793 0 1 HJAF C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810048 SVLYGVRBULDCJE-HRZAHPAYSA-N 424.354 4.873 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C3OCCO3)c2)N1 587829309 BRSKYLGFSWMWEK-RNODOKPDSA-N 420.322 4.842 0 1 HJAF COc1ccc2c(c1)OCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587831995 ASKSLRORQOKMAM-FKIZINRSSA-N 406.295 4.547 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCc2ccc(F)cc2)(c2ccccc2F)N1 962898988 GPQWMSDVESGQSY-XUZZJYLKSA-N 411.423 4.579 0 1 HJAF Cc1cc(C(C)(C)C)cc(C)c1[C@]1(CCC(=O)O)NCCc2c1c(C(C)C)nn2C 962903389 AKHHJIYKZIEBPF-VWLOTQADSA-N 411.590 4.712 0 1 HJAF Cc1sc2nc(CN3CCOCC3)nc(Nc3cccc(C(F)(F)F)c3)c2c1C 1857543130 MCOARLXSDKDLIM-UHFFFAOYSA-N 422.476 4.903 0 1 HJAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)c4cocc4CC[C@H]3[C@@]2(C)CC[C@H]1OC(C)=O 2356441552 WTBDNHCIGRRPJK-MIYXWFHDSA-N 402.531 4.811 0 1 HJAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]2C(C)(C)CCC[C@@]12C 2356492977 HAZCIIROBOIRCJ-JHGMGJGUSA-N 404.591 4.961 0 1 HJAF CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1C)C1CC1)c1nnnn12 13477667 QDHMWJLFZJRXKA-UHFFFAOYSA-N 416.554 4.510 0 3 HJAF CCN(CC)C(=O)/C=C/[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26391893 PGJBQLZXSGYLAU-JJVSYGEMSA-N 414.634 4.891 0 1 HJAF O=C1NCN(c2ccc(Cl)cc2)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2 26396922 QFAPNJQECYOFGS-JOCHJYFZSA-N 417.940 4.519 0 1 HJAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(I)ccc23)O1 29151352 XZVXPALQXOBYFD-INIZCTEOSA-N 400.215 4.885 0 1 HJAF C/C=C/c1cc2ccccc2c2c(C(=O)OC)c(C(=O)OC)c(C(=O)OC(C)(C)C)n12 36381619 FEOIPNFECBWUGD-JXMROGBWSA-N 423.465 4.654 0 1 HJAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccc(F)cc1)CC2 38147542 YUWXDNRDMDDSJC-VXNXHJTFSA-N 424.535 4.987 0 1 HJAF CC(C)(C)OC(=O)N(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 38334273 FBHHRWMWKZNFEC-UHFFFAOYSA-N 410.804 4.910 0 1 HJAF CCCC(=O)NCCc1c(CN2c3ccccc3C[C@@H]2C)[nH]c2ccc(OC)cc12 40380561 UXKNFYADPUMFHR-KRWDZBQOSA-N 405.542 4.587 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@H]2CCCC[C@@H]21 40394075 GFRMFVSDSQREBC-TXPKVOOTSA-N 408.361 4.596 0 1 HJAF in-vitro CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C)s3)oc2C)cc1)C(=O)O 72107800 KACYCSASEXQENA-IBGZPJMESA-N 415.511 4.674 0 1 HJAF CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1 103263540 DRNOMGVIDWIDSG-UHFFFAOYSA-N 411.815 4.797 0 1 HJAF CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C(/C)I)cc1)N2 253681832 FMZWUJWDVRSFBN-PYYJTFMESA-N 409.311 4.686 0 1 HJAF Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1C 586962510 XHSAQNQISGTEII-YYWHXJBOSA-N 409.555 4.874 0 1 HJAF Cc1ccc2c3c(cc(CC(=O)Nc4cccnc4Cl)nc13)-c1ccccc1C2=O 586993934 RRLQOUVUEJOGAW-UHFFFAOYSA-N 413.864 4.984 0 1 HJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587012207 PMLRVEYKUFFORZ-UHFFFAOYSA-N 405.888 4.562 0 1 HJAF Nc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1N 587082506 QPSZKQNIDNZILN-UHFFFAOYSA-N 401.857 4.969 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)[nH]c2ccc(Cl)cc12 587550459 BAMQWBDDJSCFHG-NQIIRXRSSA-N 407.809 4.935 0 1 HJAF C[C@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553619 FYKBWGCVRICLAF-FXAWDEMLSA-N 401.340 4.683 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601960 VYQLUHLYOPLWDZ-RDGATRHJSA-N 418.445 4.603 0 1 HJAF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587623405 SNCGZFYYYCFKLY-UHFFFAOYSA-N 421.302 4.858 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2N)(C(F)(F)F)N1 587702636 FDAMKWYMFJKFQJ-ZKANADHPSA-N 421.207 4.650 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N[C@H](C)c2ccccc2)N1 587754745 KXWCCUWTFQZLBO-LKBUQDJMSA-N 419.338 4.605 0 1 HJAF CCOC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587792307 BOZLMCDZSDPCGM-RBZFPXEDSA-N 420.322 4.973 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC[C@H]3CCCO3)c2)N1 587831138 GUZVAFZKKSPQMY-QKAVXHIFSA-N 420.322 4.770 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnc2onc(C)c2c1 587864780 PKWHZEVLUKBCMZ-UHFFFAOYSA-N 416.359 4.501 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cccc(OC)c1 587864823 QOSLWQQVTWFBNL-UHFFFAOYSA-N 404.388 4.859 0 1 HJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587925397 AAMLDGXPRYVDQS-SECBINFHSA-N 400.788 4.536 0 1 HJAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1cc2cnccc2c(Br)n1 587940650 JWVBKCYUQQCKTJ-UHFFFAOYSA-N 416.662 4.915 0 1 HJAF Brc1ccc(C[C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)cc1 962985848 HZKSDHSNAPTMAD-QHCPKHFHSA-N 418.338 4.729 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCCC(=O)O)c1c(C)cc(C)cc1C 963636718 RUJKKEFJLHJCSI-CJAUYULYSA-N 411.542 4.662 0 1 HJAF FCCn1ncc(Cl)c1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816583 FEOLUXOGGQFOFK-JOCHJYFZSA-N 424.907 4.801 0 1 HJAF O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccccc1)C1CC1 1772642979 SVAMTBFRESIQFZ-IWCMWKPHSA-N 410.517 4.749 0 1 HJAF CCCC[C@@H]1[C@@H](C(=O)N(C)OC)[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857557986 NRBLDIIVXBCDGF-ZCNNSNEGSA-N 404.551 4.606 0 1 HJAF CC(=CCC[C@]1(C)Oc2c(c(=O)oc3cc(O)ccc23)[C@@H]1C)C[C@H]1C=C(C)C(=O)O1 2356546754 QZBUJGPGJAQWIM-IIOOSLMMSA-N 410.466 4.742 0 1 HJAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2[C@@H]1CN1CCCC1 3797731 HTWGECPQHCRGFE-SFHVURJKSA-N 409.382 4.819 0 1 HJAF CCCCC1=C(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473493 KNVDCZMCSIJUPT-HSZRJFAPSA-N 409.482 4.765 0 1 HJAF O=C(c1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1)N1CCOCC1 13589408 XTRCLTAVBBHIAR-UHFFFAOYSA-N 418.537 4.601 0 1 HJAF CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26389648 KFZWDYQMBIYWFQ-JQOWFYNESA-N 402.623 4.769 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)C(C)C 26391091 RYPMTHMHTXUIIA-SCXLPSKVSA-N 400.607 4.545 0 1 HJAF 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4.540 0 1 HJAF CCCN(CCCCCCc1ccc(O)c(OC)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857588685 SDBZJKFRYKEEMJ-GOSISDBHSA-N 417.619 4.642 0 1 HJAF Clc1cnc(Nc2ccccc2)cc1-c1csc(=NCC2CCOCC2)[nH]1 1857773193 JOJUEJJEBCUQFB-UHFFFAOYSA-N 400.935 4.863 0 1 HJAF CCN(CCC/C=C1\OC(=O)c2cc(OC)c(OC)cc21)Cc1ccccc1OC 1911586161 XDZYPFKZFCLSPH-MTJSOVHGSA-N 411.498 4.526 0 1 HJAF CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C 6004488 YICZBOMOCOUNSS-LEHRSUJPSA-N 410.595 4.771 0 1 HJAF COc1ccccc1N1CCN(CC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 13861743 LLNFVVXSTGRSIR-VWLOTQADSA-N 402.538 4.608 0 1 HJAF Cc1ccccc1NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 26949866 UGSQUXYEAXCLHB-MXFKRHJQSA-N 406.570 4.847 0 1 HJAF CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1 28002016 DCRGGDLVGHPPJY-UHFFFAOYSA-N 415.538 4.507 0 1 HJAF O=C1NC[C@H](c2ccccc2)C12CCN([C@H]1CCCC[C@@H]1c1ccc(F)cc1)CC2 38147552 VIUIHCNTOLSYJT-SMIHKQSGSA-N 406.545 4.848 0 1 HJAF CCCc1ccc(-c2csc(N[C@H](C(=O)NCCCOC)[C@@H](C)CC)n2)cc1 82195266 ZHWMTUORWFXGRW-JXFKEZNVSA-N 403.592 4.742 0 1 HJAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccc(Cl)c3F)ccc1O2 95571630 HPIQWCZVOWLGJL-QFIPXVFZSA-N 410.832 4.849 0 1 HJAF O=S(=O)(Nc1ccc(-c2ccc(Cl)cc2Cl)cc1)c1cccc(CO)c1 95584244 HSGHNAPFWRNAIR-UHFFFAOYSA-N 408.306 4.954 0 1 HJAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3scc(-c4cccs4)c23)C1=O 138629952 VHFRQHKFRYOSFN-UHFFFAOYSA-N 424.532 4.790 0 1 HJAF CCCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 143234734 DFVPHPDWSDVAKL-GGAORHGYSA-N 418.622 4.983 0 1 HJAF Cc1c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2cc(F)ccc2c1=O 149343771 IIQLKTFZGWYOKC-UHFFFAOYSA-N 417.362 4.786 0 1 HJAF CC1=Nc2[nH]ncc2[C@H](c2cccs2)[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 169724267 KBCXNVSUKKCULU-JKSUJKDBSA-N 404.417 4.983 0 1 HJAF COc1ccc2cc3n(cc-2/c1=N/Cc1ccccc1)CCc1cc2c(cc1-3)OCO2 169725104 XEDNRGSTIPLFLT-RQZHXJHFSA-N 410.473 4.654 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C(C)(C)[C@@H]1OC(=O)/C(C)=C\C 197431133 CVMAUJSKSKXOQX-JUMNDZEQSA-N 416.558 4.650 0 1 HJAF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255201117 BWDRDVHYVJQWBO-WCZDQELZSA-N 406.607 4.566 0 1 HJAF CCOc1ncc(CN2CCC(N(C)Cc3cc(Cl)ccc3Cl)CC2)s1 299867786 YTMWEZJHNARUPP-UHFFFAOYSA-N 414.402 4.945 0 1 HJAF COc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1OC 587092735 XLRRQPKTCDHKSS-UHFFFAOYSA-N 421.297 4.602 0 1 HJAF Fc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1Br 587126431 AYUUCTACBFNREC-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cnc4ccccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239593 LVYQOHKMUZPQSO-YIEPVFBUSA-N 422.529 4.666 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c1 587242677 PGJITDHTXFMGOG-UHFFFAOYSA-N 423.108 4.637 0 1 HJAF CCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351990 VTGFPZIEHOEFAH-RFWXGWTQSA-N 400.446 4.628 0 1 HJAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)c(Cl)c1)(C(=O)O)CC2=O 587462640 QALJIETZSWGTDA-FQEVSTJZSA-N 409.265 4.683 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3sc(C(=O)OC)c(C)c3c1)CC2=O 587495409 ODJMNEIVCSDXMM-GOSISDBHSA-N 411.479 4.756 0 1 HJAF CN(C)/C=C(\c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550270 WIFAUVJFWTUITR-JPARSPOBSA-N 421.880 4.979 0 1 HJAF C[C@H](C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC(=O)OC(C)(C)C 587752260 DPJGADWJHYXONG-CLUVUEOHSA-N 415.347 4.641 0 1 HJAF CC(C)[C@@]1(c2ccc3nc(O)oc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587780056 XYKKQPVAORUVFS-GIPWTMENSA-N 419.294 4.869 0 1 HJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 587782219 JDQVEDMHWHJTND-UHFFFAOYSA-N 408.841 4.955 0 1 HJAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587808433 QASDEPLBGBZKHX-BBATYDOGSA-N 424.310 4.546 0 1 HJAF Cc1cc(C)c2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837354 GASYBCPQJFTVAM-HXPMCKFVSA-N 416.290 4.935 0 1 HJAF Cc1cc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C 587840496 YCVMCBPERZFQTD-ODXCJYRJSA-N 416.290 4.935 0 1 HJAF COc1ccc(F)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1OC 962643283 QIPWKPBARYPKOO-NBGIEHNGSA-N 418.512 4.679 0 1 HJAF COc1ccc([C@]2(c3ccccn3)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962723046 YCNQJSXTDGZJMS-UQBPGWFLSA-N 420.553 4.885 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCc2ccccc2)(c2ccc(Cl)cc2)N1 962906931 RNRREAOTKWGAHA-XUZZJYLKSA-N 409.888 4.954 0 1 HJAF CCOC(=O)C1(c2ccncc2)CCC2(CC1)c1c(F)cccc1C[C@H]1CCCN12 963105399 QFADWOUQBYODJL-NWSMCOELSA-N 408.517 4.512 0 1 HJAF CC(=O)O[C@@H]1CCCc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc21 1772657473 WXDRCFOHKOBPSD-MRXNPFEDSA-N 415.902 4.725 0 1 HJAF COc1cc(C(=O)c2cccc(-c3ccnc4ccccc34)n2)cc(OC)c1OC 1857576679 DGLHMEGTEXKKDZ-UHFFFAOYSA-N 400.434 4.554 0 1 HJAF FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(-c3cn(-c4ccncc4)nn3)cc2)n1 1857644463 OSYGUFWYZDCVML-UHFFFAOYSA-N 424.308 4.553 0 1 HJAF O=C(N[C@@H](c1nccs1)c1ncccc1C(F)(F)F)c1ccc2cccnc2c1 1857767039 DPYLWNVKQKCNMS-QGZVFWFLSA-N 414.412 4.625 0 1 HJAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356300649 KWLOTQBVXUGRAV-ZRBLBEILSA-N 417.557 4.714 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212214 WZWCXOCRBVUFLQ-NMNUPHIUSA-N 401.595 4.890 0 1 HJAF COC(=O)c1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 4258294 WOELYKNPIBVROK-UHFFFAOYSA-N 419.521 4.959 0 1 HJAF CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474842 JCJXWNVOVZEIHE-DEOSSOPVSA-N 420.509 4.755 0 1 HJAF CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 26491013 KOGZUICFSKKHFC-UHFFFAOYSA-N 417.550 4.725 0 1 HJAF Cn1c2c(c3ccccc31)C(=O)[C@H](CN1CCC(C(=O)c3ccccc3)CC1)CC2 27739134 KOVWQMSGPHHQID-FQEVSTJZSA-N 400.522 4.518 0 1 HJAF CCS(=O)(=O)N(C)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 40632451 GDRMFZIZACHNBP-UHFFFAOYSA-N 406.507 4.753 0 1 HJAF Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2Br)cc1 43120122 DEPZKXAUVSUYEV-UHFFFAOYSA-N 416.344 4.982 0 1 HJAF CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 45391593 ZSHVSBCOLVBOLB-NKKJXINNSA-N 400.515 4.869 0 1 HJAF Cc1cccc(-c2c(-c3ccc4ncccc4c3)cnn2Cc2cccc(C(N)=O)c2)n1 49808327 GJYVTYIBMNTHEV-UHFFFAOYSA-N 419.488 4.616 0 1 HJAF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)sc1C 82165718 QAXLSBHNWTZPQQ-UHFFFAOYSA-N 406.467 4.818 0 1 HJAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(CC(C)C)cc2)cs1)C(=O)NCCOC 82192476 ICQUATYCFXMNJH-JXFKEZNVSA-N 403.592 4.598 0 1 HJAF Cc1ccc(NC(=O)CCCC(=O)CC(=O)c2ccc(Br)cc2)cc1 102938231 WPDFUYQXUXFJHZ-UHFFFAOYSA-N 402.288 4.708 0 1 HJAF CCNC(=S)N1N=C(c2ccccn2)C[C@H]1c1ccc(OCc2ccccc2)cc1 103193106 QZKSEEIPNKVABH-QHCPKHFHSA-N 416.550 4.706 0 1 HJAF Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nc3nncc-3c2O)cc1C 103970106 XYGBBXKMAFPMCQ-UHFFFAOYSA-N 424.913 4.718 0 1 HJAF COc1cc(N[C@H](C(=O)c2c[nH]c3ccc(CO)cc23)c2ccccc2)cc(OC)c1 218364845 QYWINMVWVNTNSR-DEOSSOPVSA-N 416.477 4.714 0 1 HJAF CCCCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccco1)[C@@H](C)O 219740670 HQDXTQTZCNBOFP-CTNGQTDRSA-N 408.583 4.576 0 1 HJAF N[C@@H](CS[C@]1(c2ccccc2)c2ccccc2CCSc2ccccc21)C(=O)O 473154275 GBASDOMZUWZJEQ-XUZZJYLKSA-N 421.587 4.772 0 1 HJAF O=S(=O)(c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1)C(F)(F)F 586896198 KIWQFFUUOJRSEU-UHFFFAOYSA-N 418.396 4.896 0 1 HJAF Clc1ccc(OCc2nc3c(Br)ccnc3[nH]2)c(Br)c1 586977975 UOBUBGSILSPUEP-UHFFFAOYSA-N 417.488 4.715 0 1 HJAF CCOc1n[nH]c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1Br 586979975 ZPZLXOJTVJBXDV-UHFFFAOYSA-N 420.492 4.530 0 1 HJAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250012 WFSXGDLYCDIFKG-UHFFFAOYSA-N 420.538 4.558 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)cc2)on1 587569954 JNQWZJTUNBXTJY-REWPJTCUSA-N 403.365 4.889 0 1 HJAF Cc1cc(F)ccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587570562 LOHHGRLLIWJGGT-JOCHJYFZSA-N 419.452 4.841 0 1 HJAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(C)C)c1 587598800 YMXIXUHPWKUHFD-QPPBQGQZSA-N 406.434 4.891 0 1 HJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 587614559 CMFHQSKIFGWZMN-YKSBVNFPSA-N 404.418 4.516 0 1 HJAF COc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587690957 AJLOIUFSXHHYKE-DYBLOJMWSA-N 414.702 4.882 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c(F)cc(F)cc32)N1 587739711 VMRZDNJRUZPBIM-DGIBIBHMSA-N 412.249 4.817 0 1 HJAF CC(C)n1ncc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc21 587757185 GESPTEYFQDJUGT-ZMZPIMSZSA-N 403.299 4.537 0 1 HJAF Cc1nc(-c2ccccc2)ncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587775614 SKGTYSOGOZMHPN-MPBGBICISA-N 412.306 4.977 0 1 HJAF CCc1ccc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587839622 TXZSLENKYMFHEJ-BIBXISHDSA-N 416.290 4.881 0 1 HJAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O 653866666 ZSSRMARFYVOMRJ-UHFFFAOYSA-N 421.277 4.664 0 1 HJAF C[C@@]1(CC(=O)Nc2ccc(F)cc2F)NC2(CC2)Cc2ccc(Br)cc21 961613215 GXWADDXKBODBGG-IBGZPJMESA-N 421.285 4.650 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1ccc(C(=O)c3ccccc3)cc1)N(C)[C@@H](C)C2 962642508 VXSWCSXQCMJYRB-GKVSMKOHSA-N 401.506 4.901 0 1 HJAF Cc1cccc(C)c1[C@@]1(c2ccc(Cl)nc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017591 CYOONZGIRPEATA-GKVSMKOHSA-N 417.940 4.697 0 1 HJAF Cc1sc2c(c1C)CCN[C@]2(C(=O)N(C)c1ccccc1)c1c[nH]c2ccccc12 963034240 YIZASPWVQARLHD-RUZDIDTESA-N 415.562 4.899 0 1 HJAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc3cc(Cl)c(Cl)cc3[nH]2)N1 963216698 AFDVTEYOOKLJAE-UXHICEINSA-N 412.276 4.711 0 1 HJAF O=Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)cc1 963222309 GJMLKFARQGARDN-RPBOFIJWSA-N 424.456 4.528 0 1 HJAF Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(-c3ccccc3)cc1)CS(=O)(=O)O2 1857557781 JNGPMSVKKBINGS-QFIPXVFZSA-N 416.502 4.702 0 1 HJAF O=C1Nc2c(Cl)cccc2C1=CNCCCNc1ccnc2cc(Cl)ccc12 1857622580 GABZNAASJZFEJC-UHFFFAOYSA-N 413.308 4.926 0 1 HJAF COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CN[C@H](C)C2 1857753407 XWLIHYAUFDQCQF-OAHLLOKOSA-N 409.493 4.587 0 1 HJAF CC(=CCS(=O)(=O)CCNC(=N)N)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@@H]1C 2356719484 ZKAIIIOGWKNEAA-GMAHTHKFSA-N 423.667 4.720 0 1 HJAF CC(C)=CCOc1c(C)cc(O)c(C(=O)c2c(O)ccc3c2OC(C)(C)C=C3)c1C=O 13373322 CMMRAGHLCXBJKR-UHFFFAOYSA-N 422.477 4.979 0 1 HJAF biogenic C[C@@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 26375722 NHPBDFAJJFWJJX-FQEVSTJZSA-N 412.599 4.531 0 1 HJAF Cc1cc(C)cc(CCN2C(=O)COc3ccc(/C=C4\SC(=S)N=C4O)cc32)c1 28883316 JEHCYNLYIHOPCJ-ODLFYWEKSA-N 424.547 4.601 0 1 HJAF Cc1ccc2c(C(=O)c3c(C)n(CCN4CCOCC4)c4ccccc34)cccc2c1 31905344 MCWRKIUACAWCEU-UHFFFAOYSA-N 412.533 4.975 0 1 HJAF O=C(O)c1cccc(-n2ncnc2-c2cc(Cl)ccc2OCc2ccccc2)c1 40763984 MTKGUKLKEDNQSQ-UHFFFAOYSA-N 405.841 4.865 0 1 HJAF O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCN(c2ccnc3ccccc23)C1 45193155 JMSPVKKSOPDXRO-MRXNPFEDSA-N 400.404 4.654 0 1 HJAF COC1=C[C@H]2CC[C@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)n3)[C@H]2C=C1 45245463 FDWHRNRDGMYDCB-FYINFDKHSA-N 403.448 4.628 0 1 HJAF CC(C)=CCc1c([C@@H]2CCc3ccc(O)cc3O2)cc2c(c1O)OC(C)(C)[C@H](O)C2 49181799 FEZVNZBNOAECEC-RBBKRZOGSA-N 410.510 4.747 0 1 HJAF Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 53296544 PQFNRRBAVCCUKA-UHFFFAOYSA-N 417.870 4.940 0 1 HJAF COc1cc(-c2cc3cc(C)cc(Br)c3oc2=O)cc(OC)c1OC 58581950 VWKQTQVNQOYLAC-UHFFFAOYSA-N 405.244 4.557 0 1 HJAF CC(C)(C)C(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72101339 BMXGYLGWQNUFMB-HXUWFJFHSA-N 419.491 4.817 0 1 HJAF CC1=C(C)[C@@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 72126301 SDGAWOVTSOHSGP-XMMPIXPASA-N 411.929 4.661 0 1 HJAF O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 82078136 DGNWKHZURKROPN-FQEVSTJZSA-N 419.462 4.884 0 1 HJAF COc1cc(-c2nc(NC3CCCCC3)ncc2-c2ncc(C)o2)cc(OC)c1OC 82166645 LDAXIXAJFUBROZ-UHFFFAOYSA-N 424.501 4.877 0 1 HJAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccc(F)cc2)=N1 95579018 PDAGKAXYOMNUPD-MRXNPFEDSA-N 408.285 4.913 0 1 HJAF O=C1[C@H](CCO)O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1 95602209 BTFDOQOPNARQSS-HBMCJLEFSA-N 420.336 4.796 0 1 HJAF O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2 96173065 CPQDJVJPRAAAAO-UHFFFAOYSA-N 420.944 4.692 0 1 HJAF CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2)c2ccco2)OC1 103215310 ZCCJDYVLRMGINO-QGZVFWFLSA-N 414.778 4.820 0 1 HJAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(CN3CCCC3)cc1)[C@H]2c1ccccc1 118617199 QRRXIQPVIZSLHQ-NOZRDPDXSA-N 422.532 4.818 0 1 HJAF O=C(Nc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1)N1Cc2ccccc2C1 167811185 LMZHAWAYPISDMF-UHFFFAOYSA-N 417.431 4.649 0 1 HJAF COc1ccc(Cc2cc3c(c4ccccc24)CN([C@H]2CCCC[C@@H]2O)C3=O)cc1 199413866 RTUXLKCZXVHHOU-DQEYMECFSA-N 401.506 4.699 0 1 HJAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3ccsc23)cc1 225939903 FVHQJVRHVOIFHB-IZZDOVSWSA-N 420.515 4.781 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C 238759608 FVVSHRMUDMBKFA-WHGTWIOOSA-N 418.574 4.896 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](C)CN(C)C 299874794 BYNGGFFMJBPNRX-JSNMRZPZSA-N 411.949 4.559 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299880416 MGAOUKFKTFGKOJ-XCYUPCBOSA-N 418.578 4.622 0 1 HJAF Cc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1F 586955800 VZGWNMFQMUHGAJ-UHFFFAOYSA-N 415.534 4.702 0 1 HJAF CC(=O)N[C@@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)c1ccc(Br)cc1 586984163 CJAFWCPSXNBQDN-HNNXBMFYSA-N 406.711 4.707 0 1 HJAF COc1cc(OC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)c1 586992609 QKZFLVKIAAQDEC-UHFFFAOYSA-N 413.429 4.845 0 1 HJAF O=C(O)c1cccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587022209 VZBYBQSLXGJBDV-UHFFFAOYSA-N 413.462 5.190 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)ncc3[nH]2)c1 587049158 PNRTUXFTWKGJLV-UHFFFAOYSA-N 420.300 4.575 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(OC)cc3[nH]2)c1 587050663 ZJBUDFMOKINLJR-UHFFFAOYSA-N 414.893 4.535 0 1 HJAF CCOC(=O)[C@@H](Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(C)=O 587362550 JSBLUUQZORRGIJ-FQEVSTJZSA-N 417.461 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cnc(Cl)s3)cc1)O2 587411090 AWLHDCINROTHNK-GOSISDBHSA-N 400.887 4.973 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)CC2=O 587459521 DXGGUDJGBCCHHS-DMZKTXOQSA-N 402.874 4.970 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)OC)c1)(C1CCCCC1)CC2=O 587482503 JFYUVYRKNOCTBR-XMMPIXPASA-N 411.498 4.900 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(N2CCCC2)c1 587553947 BZEKCSRIGJKGFJ-URXFXBBRSA-N 405.425 4.834 0 1 HJAF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587572716 QHGGZEDIVABIBH-URXFXBBRSA-N 405.450 4.647 0 1 HJAF CCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604704 VKGOVVQWODLGPY-DHLKQENFSA-N 418.445 4.677 0 1 HJAF O=C(c1cc2cc(F)ccc2[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655753 QGDOABBPQJGTCN-UHFFFAOYSA-N 419.362 4.651 0 1 HJAF Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587680721 PUXSYWZNXNFPNV-PSLIRLAXSA-N 414.116 4.678 0 1 HJAF Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587683755 XGHZTBWJJJZEBT-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(O)c(Cl)cc32)N1 587695179 IHXPGBNOXYLQKZ-DYBLOJMWSA-N 412.686 4.508 0 1 HJAF Cc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587739168 GFGGTAFYYZCGAM-GRBSWGBCSA-N 403.339 4.750 0 1 HJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1CCCO1 587750595 IZKRVYBPYVXBPQ-PKQAIAMASA-N 421.354 4.809 0 1 HJAF Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587761463 UPKUMTGRTSOQON-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(Cc3ccccc3)c2)N1 587762044 CQFHJXMUQBKCPB-QKKBWIMNSA-N 414.322 4.631 0 1 HJAF CCOc1ccccc1-c1cccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587780654 XJXDVIMRFFOARN-UHFFFAOYSA-N 421.522 4.546 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nn1C(F)F 587864049 BRBRKVWBUUEGIA-UHFFFAOYSA-N 414.334 4.556 0 1 HJAF Cc1cccc([C@]2(c3cncc4ccccc34)NCCc3ccc(C(=O)N(C)C)cc32)c1 962935440 ZMVAVGQKCVVYMZ-NDEPHWFRSA-N 421.544 4.683 0 1 HJAF Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 1366381 LIKLXSXTRFGUKL-LBPRGKRZSA-N 407.495 4.651 0 3 HJAF O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 14979707 XPTXXILZIKAQBW-LJQANCHMSA-N 405.473 4.864 0 3 HJAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@@H]12 205206970 HXOGLFWIGUZTIJ-DHIUTWEWSA-N 411.505 4.529 0 3 HJAF O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CS[C@@H](c2cccnc2)N1 13737445 CGUCUCACHWMBAL-UPVQGACJSA-N 415.518 4.728 0 1 HJAF COc1cccc(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)c1 13742756 FMEUWASIYBNIKU-BJWOPKJYSA-N 422.569 4.547 0 1 HJAF CC[C@H]1Cc2cc(OC(C)=O)c(OC(C)=O)cc2-c2cc3cc(OC(C)=O)ccc3n21 29340958 OGXAECKYYUQXKX-SFHVURJKSA-N 421.449 4.591 0 1 HJAF CN(C(=O)[C@@H](CC(=O)O)Cc1ccccc1)c1nc(-c2ccccc2Cl)cs1 68243543 OBDALOKUUNSYAK-OAHLLOKOSA-N 414.914 4.760 0 1 HJAF CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184753 NKRRECLGPOAYNK-IBGZPJMESA-N 424.568 4.650 0 1 HJAF CCOC(=O)c1c(-c2ccncc2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N 84632128 YHLVWRHHYTYZJU-UHFFFAOYSA-N 411.676 4.653 0 1 HJAF Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 95552984 YDRLBYPQASBCQA-UHFFFAOYSA-N 421.472 4.956 0 1 HJAF CCOC(=O)CCCOc1ccc(NC(=O)COc2ccccc2[C@H](C)CC)cc1 95560784 VNJQSYIADWFSBQ-GOSISDBHSA-N 413.514 4.940 0 1 HJAF O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2 103239414 FSUASHLJRPPAJD-UHFFFAOYSA-N 405.523 4.846 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258916 GFIGTNGISUKHQE-CJNGLKHVSA-N 409.404 4.712 0 1 HJAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4occc34)CC2)CC1 168950168 ZJUHEDMNUHRHQM-TYKWCNGQSA-N 412.574 4.714 0 1 HJAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cscc3Br)cc2)C[C@H]2CC[C@H]1N2C 261073308 AKZNIBWGGYEGKL-OHDICMOHSA-N 420.372 4.917 0 1 HJAF CC1(C)CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 299835915 ZSWWBIUKCXXAIG-UHFFFAOYSA-N 406.917 4.538 0 1 HJAF CCc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 586954852 QDYWLFKHNMHYIU-UHFFFAOYSA-N 419.550 4.847 0 1 HJAF CCCn1cnc2cc(-c3nc4ccc(C(=O)OC)cc4[nH]3)cc(Br)c21 587003513 KLYFCRSTNHBVID-UHFFFAOYSA-N 413.275 4.539 0 1 HJAF Cc1c(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1C 587040965 KSQDZHMQXXEJHI-IRXDYDNUSA-N 402.361 4.889 0 1 HJAF FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 587084436 AMTOZUXEWINNHA-UHFFFAOYSA-N 411.174 4.803 0 1 HJAF Cc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1F 587238286 BMNWYQUIPHSPDB-LEXZLQQCSA-N 403.498 4.565 0 1 HJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)c(Br)cc2[nH]1 587241074 YNZKGDOQDJREOQ-UHFFFAOYSA-N 424.096 4.554 0 1 HJAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C(F)(F)F 587276298 LXCDYVOADCXMBT-UHFFFAOYSA-N 414.177 4.641 0 1 HJAF COCOc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345941 AGMWZSVYRJQDGL-ISKFKSNPSA-N 408.425 4.788 0 1 HJAF CCOC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587351266 TUNMCZIDOADHHK-DHLKQENFSA-N 420.436 4.982 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(OC)OC)oc3ccc(O)cc13)CC2=O 587475986 BHUKVSDHUCQNNN-LJQANCHMSA-N 412.438 4.794 0 1 HJAF O=C1C[C@@H](c2cc(=O)c(OCc3ccccc3)co2)Oc2c1ccc1c2CCCC1 587535574 LJSBNWMSYROPDA-QHCPKHFHSA-N 402.446 4.804 0 1 HJAF Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587676256 DMDOHNJHBVPMCD-JDNHERCYSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587701272 CEGLZFJOEUVOPM-FVMDXXJSSA-N 410.249 4.885 0 1 HJAF COc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587710604 TYNRTNYISDGMIR-BMLIUANNSA-N 418.228 4.937 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)CC(F)(F)F)CC2)N1 587711215 WQNJTXMHSSBQHE-FFLHNBHYSA-N 423.292 4.754 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CN2CCCC2)N1 587766004 LVGDEPNNVRGUIC-LHSJRXKWSA-N 403.339 4.808 0 1 HJAF COCOc1cccc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961778395 DJBIICMDLGWBBO-HSZRJFAPSA-N 424.541 4.910 0 1 HJAF COC(=O)c1ccc2c(c1)CCCC[C@]21c2ccsc2CCN1Cc1cccn1C 962397119 JOEWCWRRCDMWGZ-RUZDIDTESA-N 420.578 4.902 0 1 HJAF CCOC(=O)[C@](C)(CC)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950319 DNAFZYBEIFGHTR-PMACEKPBSA-N 413.480 4.551 0 1 HJAF Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963099567 ICRRNNIJUMIASV-WMZHIEFXSA-N 414.484 4.659 0 1 HJAF Cc1cccc([C@@]2(C3CC3)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963201363 YMTCMKHSTBBHQT-OXQOHEQNSA-N 409.835 4.920 0 1 HJAF O=C(Cn1nc(C(F)(F)F)c2c(-c3ccccc3)c3ccccc3nc21)N1CCCC1 1772570821 KIAYOFUADCVESI-UHFFFAOYSA-N 424.426 4.893 0 1 HJAF COc1cc(N(CC2CC2)c2cccc3ccccc23)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772640046 OFOPLMNREMYRND-UXHICEINSA-N 416.477 4.695 0 1 HJAF CC(C)c1ccc(NC(=O)c2c(-c3cccc(F)c3)ncnc2N2CC[C@H](F)C2)cn1 1857614170 YNISWYRLSIZTMS-KRWDZBQOSA-N 423.467 4.602 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC(C)C)[C@]2(C)[C@@H]1C(=O)O 2356387402 RVUAPZKQDQMXCM-CJDKVTARSA-N 418.530 4.853 0 1 HJAF FC(F)(F)c1cccc(Cc2noc(CN3CCCC[C@@H]3c3ccccn3)n2)c1 12430274 XIXFNAVEGGOTDD-GOSISDBHSA-N 402.420 4.801 0 3 HJAF COc1ccc([C@@H](O)c2nc(-c3cccc(OCc4ccccc4)c3)c[nH]2)cc1F 61927034 HTLVDRGAAIYUHW-HSZRJFAPSA-N 404.441 4.885 0 3 HJAF COC(=O)[C@@H]1SC(N(C)c2ccccc2)=NC12c1ccccc1Nc1ccccc12 5596505 YQHUXXLAOYBHBA-NRFANRHFSA-N 415.518 4.768 0 1 HJAF COc1ccc2c(c1)C1=N[C@H](CC(C)=O)[C@@H](CC(C)=O)c3c([nH]c4ccccc34)C1=N2 14515671 RQZOWBVRFRUUKC-DYESRHJHSA-N 413.477 4.524 0 1 HJAF biogenic CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc2C1 28766144 VBQJPXAAGCZIAK-JOCHJYFZSA-N 411.542 4.520 0 1 HJAF COc1ccc(C[C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28768676 FMXKIHKXGRGBQG-GHTZIAJQSA-N 419.308 4.710 0 1 HJAF CCOC(=O)CCCCCC[C@H](COCc1ccc(OC)cc1)Cn1ccnc1 29485492 MEROYMAHJVXXHP-NRFANRHFSA-N 402.535 4.628 0 1 HJAF CCN(C[C@H](O)c1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35826847 AQQQQVJBCMSSHB-INIZCTEOSA-N 407.354 4.559 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3ccsc3)n2)cc1 40933978 GLCJWPFPBMUPAB-UHFFFAOYSA-N 401.495 4.652 0 1 HJAF O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ccccn1)CC2 84714521 MWBXOAORFUZOAW-UHFFFAOYSA-N 420.516 4.842 0 1 HJAF C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 95911535 YRLBRLSLZIRTGX-HEXHTWKNSA-N 413.646 4.627 0 1 HJAF biogenic,in-vitro C[C@H]([C@@H]1CC[C@@H](C)CN1)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 135684424 IRRHFODGOMSPEE-XPMUQOCRSA-N 415.662 4.921 0 1 HJAF CC(C)=CCC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3C[C@H](O)C(C)=C[C@H]3O2)O1 143363842 GYVVQYFUUGEIMA-YWZYNZQGSA-N 400.559 4.755 0 1 HJAF CN1CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1 145497554 HYLAHQGBJHMDOO-QFIPXVFZSA-N 421.566 4.749 0 1 HJAF COc1ccnc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1 167771025 OTYYFHOYBHWRFW-KDOFPFPSSA-N 423.538 4.640 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 169319208 NVBZLUSKXDCJBQ-WOPNVFSKSA-N 402.623 4.580 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C 238781924 BUDAMNIUJPUZEA-GUXLUQIISA-N 416.558 4.650 0 1 HJAF c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@@H]3[C@@H]2OCc2ccccc2)cc1 254129166 DDSMNKYRACJCFU-QUMGSSFMSA-N 402.490 4.828 0 1 HJAF CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3CC(C)=CCC[C@@](C)(OC(C)=O)[C@@H](O3)[C@@H]2[C@H]1C(C)C 299806991 OKHREEBDBYKLKA-PKQJRJOWSA-N 404.547 4.602 0 1 HJAF CCOC(=O)C(F)(F)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586985195 BEVZOLUHNKQLGF-AWEZNQCLSA-N 423.415 4.770 0 1 HJAF Cc1ccc2c3c(cc(-c4cccc(OCC(=O)N(C)C)c4)nc13)-c1ccccc1C2=O 586996460 NSAMTNRFWCETPA-UHFFFAOYSA-N 422.484 4.889 0 1 HJAF CCCc1sc(N)nc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587013451 OMTOJGRYIOIEQT-UHFFFAOYSA-N 421.242 4.882 0 1 HJAF COc1ccc2nc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)sc2c1 587034059 CLRFRYQHGCHWTF-UHFFFAOYSA-N 400.332 4.897 0 1 HJAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587241690 HFHSAXGKHUDCNY-UHFFFAOYSA-N 409.421 4.607 0 1 HJAF CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Nc2ccccc2)n1 587532735 ODOVVPSCZCEQRT-NRFANRHFSA-N 417.534 5.527 0 1 HJAF Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 587541819 VSLYUKBNKHFOMQ-OXQOHEQNSA-N 412.239 4.561 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1Br 587542530 YOGZZGYVKPEAQB-XLIONFOSSA-N 413.223 4.563 0 1 HJAF Nc1sccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612108 IWEQDXZCPJETHG-HYBUGGRVSA-N 415.470 4.941 0 1 HJAF Cc1c(Br)cncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587681152 JIMUDROFEHMBMJ-PWJLMRLQSA-N 414.116 4.678 0 1 HJAF Cc1cc(C)c2c(N)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)oc2n1 587747665 RDOPXRVKYXJBEF-BIBXISHDSA-N 418.310 4.726 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3)c2)N1 587763259 IMIKGUOPJITBMV-ZUOKHONESA-N 400.295 4.572 0 1 HJAF CCOC(=O)C[C@]1(CC2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800677 YGCLKCVVCMCOLW-RBZFPXEDSA-N 412.343 4.851 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccs3)nc2)N1 587857023 ZGHKHOFWNWUGLV-BMLIUANNSA-N 404.308 4.730 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@@](Cc3ccccc3Cl)([C@H]3CCCS3)c3cccc1c32 963018885 FIYNTDCPMVEZKJ-AYPBNUJASA-N 412.986 4.727 0 1 HJAF FCCn1ncc(Cl)c1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816584 FEOLUXOGGQFOFK-QFIPXVFZSA-N 424.907 4.801 0 1 HJAF CCOC(=O)[C@H]1CCCC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832286 NEXQHQICJGIWNR-GJZUVCINSA-N 418.537 4.841 0 1 HJAF CC(C)C[C@@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)NS(C)(=O)=O 1772629955 SDDJGGLLEQBTPN-HNNXBMFYSA-N 415.914 4.614 0 1 HJAF COc1ccc2c(c1)CC[C@@H](Cc1cc[n+](Cc3ccc(C)cc3)cc1C(C)=O)C2=O 1857536912 IXJNEFYONZZHLV-QHCPKHFHSA-N 414.525 4.530 0 1 HJAF COc1ccc2c(c1)CC[C@@H](Cc1cc[n+](Cc3ccccc3C)cc1C(C)=O)C2=O 1857538521 MKUOCPBSADYCLT-QFIPXVFZSA-N 414.525 4.530 0 1 HJAF CN=c1[nH]c2cnc(Nc3cc(C(F)(F)F)ccc3F)cc2n1Cc1ccccc1 1857585707 KQHFREVJSAPHLM-UHFFFAOYSA-N 415.394 4.845 0 1 HJAF CC(C)(C)c1nnc(-c2cnn3ccc(N4CCC[C@H]4c4cc(F)ccc4F)nc23)o1 1857602297 WUONMFPURHMQTJ-KRWDZBQOSA-N 424.455 4.697 0 1 HJAF C[C@H]1CC[C@@]2(C[C@@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@@]43C)O2)OC1 2356724875 BUJRXUZHQCDNJY-ALDLGKQUSA-N 418.618 4.519 0 1 HJAF CC1=NN(c2ccccc2Cl)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 5964601 GHEXTNZLHBOGSS-IBGZPJMESA-N 414.943 4.970 0 1 HJAF CN(C[C@@H](CCN1CCCCC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 6437513 ILCCCPFFPRMWHK-HXUWFJFHSA-N 421.006 4.620 0 1 HJAF Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc(-c4cccc(C)c4)oc3C)C2)cc1 6772219 UPDBNQDBDBEZDW-HSZRJFAPSA-N 417.553 4.795 0 1 HJAF Cc1ccc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1 13737553 NRYCOWHRWRKCJF-RXVVDRJESA-N 423.538 4.714 0 1 HJAF Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)CC1 27076568 GULMMOWWLOPXLP-GOTSBHOMSA-N 419.613 4.675 0 1 HJAF COc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2c(OC)c1OC 28650339 XLPDVSOEUVUCBT-UHFFFAOYSA-N 424.682 4.815 0 1 HJAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cccc(C(=O)O)c3o2)cc1 29048550 QHZMBVMBLPKGBV-UHFFFAOYSA-N 402.406 4.519 0 1 HJAF O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 29132000 XNRSXLNSTYMEFF-QFIPXVFZSA-N 413.876 4.710 0 1 HJAF CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c([C@@H]5CC(=O)c6c(O)cc(O)cc6O5)cc4[C@H]1[C@H]23 33902651 IJVOVAHXZFALHZ-KYSBAGIVSA-N 422.477 4.811 0 1 HJAF in-man O=C(O)[C@H](Cc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2)nc2ccccc12 40862371 KRRIVZRXSXTKQS-QFIPXVFZSA-N 408.461 4.886 0 1 HJAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cccc4cnccc34)cc1N2 43018251 BOBQYWDGQQZXQH-UHFFFAOYSA-N 409.445 4.927 0 1 HJAF CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc3sc4c(c3c(=S)n12)CCCC4 64564354 SBPBBICXVHIMBE-UHFFFAOYSA-N 424.551 4.828 0 1 HJAF CC(C)(C)NC(=O)[C@H](c1cc[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95595916 HCOSWFSNEAPRBE-FQEVSTJZSA-N 422.529 4.603 0 1 HJAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@@H]3CCCCN3C5)c(=O)c2)cn1 113109213 XADIPHDSSHNZFN-NRFANRHFSA-N 424.548 4.610 0 1 HJAF O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116825866 XCFOXTRGQAEXQS-NHCUHLMSSA-N 420.516 4.505 0 1 HJAF Cc1ccc(-c2cc(NC(=O)C(C)C)cc(C(=O)N[C@H](C)c3cnccn3)c2)cc1 142650035 UNHHGKPOVBBXGY-QGZVFWFLSA-N 402.498 4.538 0 1 HJAF Cc1nc([C@H](CC2CC2)NC(=O)c2cccc(-c3ccc(F)c(Cl)c3)n2)no1 207740832 YQBCSZMACCYMLR-SFHVURJKSA-N 400.841 4.504 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@H](OC(=O)/C(C)=C\C)[C@]2(C)CC[C@](O)(C(C)C)[C@H]12 238743042 FVVSHRMUDMBKFA-MULPUXKKSA-N 418.574 4.896 0 1 HJAF C[C@@H]1CC[C@@H]2C(=O)O[C@@H](Cc3ccccc3)CN2[C@H]1c1ccc(Br)cc1 253915664 IDEDPGPONCPOBU-CGRMTHRGSA-N 414.343 4.759 0 1 HJAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1-c1ccc(C)cc1 261165737 RVOBYASQPXDVHC-FQEVSTJZSA-N 424.884 4.665 0 1 HJAF Cc1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005230 DFTCQPSKHJCEMA-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF Cc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587006287 CXBXJMPDNIRCSF-UHFFFAOYSA-N 406.081 4.940 0 1 HJAF Ic1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587020909 CSDQKGBSIYNKIB-UHFFFAOYSA-N 417.275 4.882 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079577 DRYBXHGWQIBOBR-HNNXBMFYSA-N 421.678 4.832 0 1 HJAF CCOc1ccccc1[C@@](N)(c1nc2ccc(OC(F)(F)F)cc2[nH]1)C(F)(F)F 587093577 UUHHERONBKLSCY-MRXNPFEDSA-N 419.325 4.625 0 1 HJAF COc1cc2c(cc1F)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332168 JKRRSAVVONOGOO-UPVQGACJSA-N 408.400 4.880 0 1 HJAF CCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408618 QVRKRZJGXZJJAP-VWLOTQADSA-N 401.462 4.747 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1coc4ccc(O)cc14)[C@@H](C2)C3=O 587429512 VPNKSXIDRVCZJJ-UQBPGWFLSA-N 416.404 4.977 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4)c1)[C@@H](C2)C3=O 587444263 SKQOOMRFUOBLIC-NBGIEHNGSA-N 402.446 4.772 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC(=O)O)c3c(CC)cccc13)CC2=O 587471737 TUVNVQXIKJHMEM-RUZDIDTESA-N 421.493 4.827 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552044 MMKJVRIDZPXTHZ-XMSQKQJNSA-N 406.825 4.705 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCCC3)c2)N1 587716800 JWNYLKDELKKXCK-ODXCJYRJSA-N 407.302 4.951 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)([C@H](C)CC(=O)O)N1 587727061 AAHNNNFZWAOSEZ-FKANQGBASA-N 424.285 4.616 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c(F)cc(F)cc32)N1 587739717 VMRZDNJRUZPBIM-OVWNDWIMSA-N 412.249 4.817 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN([C@H](C)c3ccccc3)C2)N1 587766784 HVYCIMMVZZUXQI-PZPWOCDFSA-N 403.339 4.785 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCC2=O)N1 587822708 MDZJUVDJGMLXAC-FQWGINHLSA-N 402.307 4.735 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)o2)N1 587845017 QELMCAWEHSBCDY-BTDLBPIBSA-N 420.307 4.746 0 1 HJAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 587936333 KQQQGNQUVMRXJN-BLVKFPJESA-N 419.319 4.958 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1nc(Br)cs1 962394789 BIFPQQNXWKKTKV-QGZVFWFLSA-N 408.390 4.627 0 1 HJAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(C(F)(F)F)cc3F)N12 962674041 VDGHARHDFUAEEL-WIYYLYMNSA-N 418.390 4.581 0 1 HJAF CSC(=C[C@]1(c2ccccc2C)NC[C@H]2CC(=O)N(C)c3cccc1c32)SC 963032676 SKTOCKDXOCPMEE-WAIKUNEKSA-N 410.608 4.859 0 1 HJAF Ic1ccc([C@H](OCCCc2cnc[nH]2)c2ccccc2)cc1 1772610011 JJHWOWWUTNJQFO-LJQANCHMSA-N 418.278 4.753 0 1 HJAF COc1ccc2c(c1)CN(CCCOc1cc3c(cc1OC)C1(CCCC1)C(=N)N3)C2 1857579475 RQZZOIZYGFRLAI-UHFFFAOYSA-N 421.541 4.703 0 1 HJAF O=C(CCC1CCCCC1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 2456777 PBOHBAADWHYPPX-MHZLTWQESA-N 405.951 4.587 0 1 HJAF CC/C(=C\c1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 4847262 BRSFJRDXVFLOMX-XNTDXEJSSA-N 407.388 4.522 0 1 HJAF Cc1ccc(O)c(NCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 22934211 OFHAELHBVYMTKS-UHFFFAOYSA-N 415.581 4.910 0 1 HJAF CCSCCN1C(=O)CS[C@@H]1c1cnccc1-c1ccc(Br)cc1 33611946 JWAXVPKIWGTMKA-GOSISDBHSA-N 423.401 4.838 0 1 HJAF COC(=O)c1ccc2c(c1)c1c(n2CCCOc2cc(Cl)nc(C)n2)CCCC1 73158375 PLNNVEPLVMWAFL-UHFFFAOYSA-N 413.905 4.528 0 1 HJAF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)cc1 82176155 VEFWLISVHSAMEF-UHFFFAOYSA-N 404.445 4.909 0 1 HJAF COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC3CCCCC3)n2)cc1 82197829 LIYWORUMBGEHGG-SFHVURJKSA-N 419.616 4.801 0 1 HJAF C[C@H]1CCCN(C(=O)c2nc(Nc3cc4c(cc3F)OCO4)sc2Cl)[C@H]1C 96283031 GGKQWFQQUMWVOB-UWVGGRQHSA-N 411.886 4.669 0 1 HJAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c(F)c3)c3c(N)nccn32)C1 100618711 BKIOBMRDENVFFQ-GUJKFWMDSA-N 404.445 4.538 0 1 HJAF C[C@H]1[C@H]2Cc3ccc(C(=O)NCCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 101058729 IHOHDDSSITWKEW-GFNGZDJJSA-N 416.609 4.983 0 1 HJAF COc1ccc([C@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1 103213473 BRDITIXGXDAPAT-CQSZACIVSA-N 411.093 4.960 0 1 HJAF Cc1ccc(C)c(C2=C(OC(=O)c3ccc(Cl)cc3)C3(CCC(=O)CC3)NC2=O)c1 103220585 OGNRGXRCXBOCFN-UHFFFAOYSA-N 423.896 4.537 0 1 HJAF COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)c1 103624290 KEBHKUIDINWZMA-QFIPXVFZSA-N 419.481 4.546 0 1 HJAF Fc1ccc(F)c([C@@H]2C[C@H](c3cccc(Br)c3)N=C3N=NNN32)c1F 473248723 QEMTVNZVVIVARX-OLZOCXBDSA-N 410.197 4.596 0 1 HJAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCC(=O)[C@]4(C)OC(C)=O)[C@@H]3CC[C@@H]2C1 503958259 VQRXERHIFBGNDD-YNBFQEEWSA-N 418.574 4.852 0 1 HJAF biogenic FC(F)(F)c1cc(Br)cc2nc(Cc3csc4nccn34)[nH]c12 587039957 HMUPHXKBUNFJGP-UHFFFAOYSA-N 401.211 4.644 0 1 HJAF CS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094519 ANFSWKKNSXSBTA-UHFFFAOYSA-N 408.323 4.671 0 1 HJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1 587124172 LYXGUMBRRZPWMD-PWCHPLFNSA-N 418.192 4.636 0 1 HJAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)cc(F)c4[nH]3)cc2)cc1F 587147736 RAQBLYPSQVHFLJ-UHFFFAOYSA-N 409.411 4.988 0 1 HJAF O=C(O)c1cc(F)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165991 KEMCUZDNCSNQQU-UHFFFAOYSA-N 410.405 4.506 0 1 HJAF O=C(O)CC[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329919 DNWGYWIYYWZPMU-VWNXMTODSA-N 424.399 4.790 0 1 HJAF C[C@]1(c2cnc3ccc(Cl)nn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333377 VGKRQZAKPFFKLT-IFMALSPDSA-N 423.831 4.502 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)[nH]c3cc(Br)ccc13)O2 587371658 MGGWHONWPCQVAX-KRWDZBQOSA-N 414.303 4.594 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc3cc(C(=O)O)ccc3o1)O2 587413906 UAFVXLLKVRHDNJ-VWLOTQADSA-N 413.429 4.931 0 1 HJAF Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510026 UFFZZQCADUNOAK-QHCPKHFHSA-N 403.453 4.981 0 1 HJAF Cc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1C 587578845 BHURDHIPOLXZKW-RCZVLFRGSA-N 412.445 4.898 0 1 HJAF CC(C)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587594023 JZNJUZNSJNEPDJ-XUZZJYLKSA-N 406.434 4.836 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)c(F)c2)N1 587725055 MSPBSERFZKGKNS-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF COC(OC)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587726497 JCDLVYJQDLXROZ-YPMLDQLKSA-N 412.274 4.642 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1 587732019 MOVGGZGBHITMPQ-FKIZINRSSA-N 418.285 4.711 0 1 HJAF CCN1C(C)=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(N)ccc21 587773108 IYXKMSLTGBHIAT-QKVFXAPYSA-N 416.338 4.692 0 1 HJAF COC(=O)c1cc2nc(-c3cccc(OC)c3O)[nH]c2c(F)c1Nc1ccccc1 587787058 PVPUGSZLGRWSEC-UHFFFAOYSA-N 407.401 4.613 0 1 HJAF COc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2c1 587854136 BOEMDANTLRUGKW-HUTHGQBESA-N 407.308 4.830 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(OC(F)(F)F)c1 587868569 OKNLBVQBIJZZBC-UHFFFAOYSA-N 417.309 4.919 0 1 HJAF CCOC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2c1 587927587 RTCIZXZDOWCJAW-UHFFFAOYSA-N 418.449 4.796 0 1 HJAF COc1ccc(O[C@H](C)[C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1 961614900 NWECVCNTINOBCF-VLIAUNLRSA-N 402.332 4.819 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(COc1cccc(Br)c1)N(C)[C@@H](C)C2 962639423 WBQBBWPFFHOCPK-QKKBWIMNSA-N 420.347 4.637 0 1 HJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)C(=O)OCC)c1ccc(C)c(C)c1 963241671 NHTMOCBQSLDKSV-IBVKSMDESA-N 407.554 4.726 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1c1csc(-c2ccccc2N)n1 963269577 KXNZKJCFQNENHG-SFHVURJKSA-N 400.345 4.732 0 1 HJAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cccc(Cl)c2)cc1 1772570965 RNLWMHMIIOVFIO-UHFFFAOYSA-N 410.930 4.661 0 1 HJAF COc1cc(N(CC2CC2)c2cccc3ccccc23)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772640045 OFOPLMNREMYRND-PMACEKPBSA-N 416.477 4.695 0 1 HJAF COc1ccc(-c2cc(=O)c3ccc(OCCN4CCC(C)CC4)cc3o2)cc1OC 1857640513 GCIJPLXZCMLLQZ-UHFFFAOYSA-N 423.509 4.588 0 1 HJAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCc1ccccc1N 4080512 OXAANWVRTSKPMO-RPWUZVMVSA-N 423.557 4.998 0 1 HJAF Cc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)o1 13809627 JEXRIQLOSWSORT-UHFFFAOYSA-N 409.467 4.723 0 1 HJAF CC1(C)C=Cc2c(c(C[C@@H]3OC3(C)C)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)O1 14692082 OOBNHNJWONLAPI-SFHVURJKSA-N 420.461 4.775 0 1 HJAF biogenic O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(N2CCOCC2)cc1 28134106 DFZMWONSRZUPSB-UHFFFAOYSA-N 420.966 4.862 0 1 HJAF CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 28527040 NONBRWFULHRYKS-HNNXBMFYSA-N 423.365 4.822 0 1 HJAF Cc1sc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H]3OC(=O)NC3=O)ccc2o1 29329208 BTUPRSWECAIPRL-FQEVSTJZSA-N 418.474 4.633 0 1 HJAF C/C=C/c1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 33829823 KSYLISCRMLSHDL-HVHJFMEUSA-N 402.487 4.773 0 1 HJAF CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC 49785285 RENLCUQBJBLKNG-UHFFFAOYSA-N 415.921 4.965 0 1 HJAF in-vitro O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)O)c1ccccc1F 84653092 LERUHCMSSKSHNF-UHFFFAOYSA-N 412.804 4.682 0 1 HJAF O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c(-c3ccco3)c2)cc(-c2ccco2)c1O 138521263 WGSBOMRSYORGJT-UHFFFAOYSA-N 420.373 4.605 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(F)cc3[nH]1)C(=O)OC2 586914780 BXTOLCQVJPLODE-UUILKARUSA-N 410.445 4.517 0 1 HJAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc2c(c1)OCCO2)-c1ccccc1C3=O 586992846 YPRGVJGZADQUOB-UHFFFAOYSA-N 409.441 4.822 0 1 HJAF COc1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046412 SNQKCEUCGXFQLW-UHFFFAOYSA-N 401.894 4.629 0 1 HJAF Nc1ccc(-c2ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1N 587077040 QZGZZCJIJLBYGR-NRFANRHFSA-N 403.873 4.665 0 1 HJAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(N)c(N)cc2[nH]1 587086459 KSVZLGHOOREBIU-VOTSOKGWSA-N 413.312 4.758 0 1 HJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1 587124173 LYXGUMBRRZPWMD-QTTZVWFDSA-N 418.192 4.636 0 1 HJAF Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1F 587157209 JACSJZZJCIXCAZ-UHFFFAOYSA-N 419.229 4.747 0 1 HJAF Cn1cc([C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2(C)C)cn1 587338420 CIMHDMRAVXDPIY-ZCVJKFOLSA-N 406.457 4.576 0 1 HJAF C[C@@]1(c2cnn(-c3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342750 PQBLQSZBCQQQMJ-NOZRDPDXSA-N 414.436 4.991 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(F)(F)F)nn3C)s1)O2 587381262 DYXULRYLQYZJOA-AWEZNQCLSA-N 407.417 4.765 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(C)c1OC(F)F)O2 587382956 PVWRCAQPQMFONM-OAHLLOKOSA-N 412.230 4.956 0 1 HJAF COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O 587426469 OKVFLKLDTKUMIS-FDDCHVKYSA-N 409.844 4.768 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587448787 GDFHNBMERWKXSA-LVXARBLLSA-N 414.457 4.701 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(C(=O)O)c1)CC2=O 587458366 SHWZSZSQIXALCG-QGZVFWFLSA-N 405.244 4.512 0 1 HJAF O=C1C[C@H](c2cc(I)ccc2O)Oc2c1ccc1c2CCCC1 587509050 XDQKBHVNVQMINJ-GOSISDBHSA-N 420.246 4.582 0 1 HJAF CCOP(=O)(C[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC 587608740 SMKPUFNYOZWWTM-NQIIRXRSSA-N 420.398 4.769 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Br 587611564 GJUMBKKCOLKZPB-PBHICJAKSA-N 403.253 4.919 0 1 HJAF COc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587614883 DIXYAFHXPNSVHU-RDGATRHJSA-N 414.413 4.899 0 1 HJAF CCOC(=O)c1c(-c2nccn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627949 MUTSTHGPLQQWJQ-UHFFFAOYSA-N 405.298 4.783 0 1 HJAF Cc1csc2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ncnc12 587656542 FWWPMWZHBSPXSJ-UHFFFAOYSA-N 406.417 4.644 0 1 HJAF O=C(c1c[nH]c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657712 FQVMHARDFRZNLR-UHFFFAOYSA-N 401.372 4.512 0 1 HJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(Cl)c2ccccc12 587658881 UEQXIPJWJLGSBN-UHFFFAOYSA-N 402.816 4.788 0 1 HJAF Cc1oc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677885 JDYVHCAOESAYKD-ZIDLFYJRSA-N 403.089 4.876 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2N)(C(F)(F)F)N1 587705380 MEFMBRHETPFXBQ-JDNHERCYSA-N 403.217 4.511 0 1 HJAF Cc1noc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587793819 LHXRUBUJVNMISV-XTZNXHDOSA-N 402.267 4.570 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2cccs2)N1 587846544 IBTPHRUUROXVOJ-ZMZPIMSZSA-N 412.324 4.682 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(F)(F)Oc1ccccc1 587861711 XMAPPNQNERWMNJ-UHFFFAOYSA-N 412.314 4.890 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2n[nH]cc2c1 587867189 XUPYGKCLGHIQQG-UHFFFAOYSA-N 400.360 4.532 0 1 HJAF Cc1cn2c([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)c(C)nc2s1 962636438 NWBHNUNUMAFJRU-ZJSXRUAMSA-N 414.578 4.849 0 1 HJAF CCn1ncc([C@@]2(C(C)C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1C 962951979 JOLNJVADNPXHSN-JOCHJYFZSA-N 421.507 4.781 0 1 HJAF CN1C(=O)C[C@H]2CN[C@@]3(CCc4ccc(OCc5ccccc5)cc4C3)c3cccc1c32 963022698 HIQZCETYWYIZIA-RBISFHTESA-N 424.544 4.703 0 1 HJAF CC=C(C)C(=O)O[C@@H]1CC(C)=CC[C@@]2(C)[C@@H]1[C@](O)(C(C)C)C[C@H]2OC(=O)C(C)=CC 2356653893 LBJPCDBPHHIOKJ-PNRNOZNXSA-N 418.574 4.896 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C4C(=O)OC(=CC[C@@H](C)CNC)[C@@]4(CC3)[C@@H]21 2356726616 YUCZIRLWTHNMNY-IZKPBARFSA-N 423.553 4.573 0 1 HJAF O=C(Nc1nc(OCC(F)(F)F)cnc1/C=C\c1ccccc1)c1ccsc1 61902707 NTFGLBDZMUZKNU-SREVYHEPSA-N 405.401 4.902 0 3 HJAF CC[C@@H](C)NC(=O)CCC(=O)Nc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)cc(C)c2c1 13573782 YSXMEJABVQDFFB-ZHALLVOQSA-N 424.589 4.659 0 1 HJAF Cc1cccc(Cl)c1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 29395531 PMNQILMCRCQLEO-UHFFFAOYSA-N 414.836 4.923 0 1 HJAF CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40380319 LTWNDZFUOLVRMB-GOSISDBHSA-N 406.313 4.648 0 1 HJAF Nc1nc(=S)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12 49807611 CFTFDFYSPHLYLY-UHFFFAOYSA-N 417.523 4.500 0 1 HJAF Cn1cc(-c2cc3cnc(Nc4ccc5c(c4)OCO5)cc3n2Cc2ccccc2)cn1 82082554 SONIDKFRVKRQKQ-UHFFFAOYSA-N 423.476 4.957 0 1 HJAF CN(C)CCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc12 96933167 GFZIOKVVQXICQS-UHFFFAOYSA-N 400.404 4.509 0 1 HJAF FC(F)(F)c1cccc(N2CCN(CCCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1 98083448 AEEFPFZMNZVYPW-UHFFFAOYSA-N 420.504 4.999 0 1 HJAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O 114709264 LJASEOSQXCFWKQ-PMOLBWCYSA-N 423.557 4.766 0 1 HJAF CC(C)C(=O)N[C@@H]1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166144610 KZEDKVIFTWKMDG-JOCHJYFZSA-N 403.526 4.942 0 1 HJAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@H]1c1ccc(Cl)cc1 198497494 VBSVTTLLONSJNC-FKBYEOEOSA-N 402.970 4.738 0 1 HJAF C[C@H]1C[C@H](O)[C@@H]2[C@H](C)[C@H]3[C@H](C[C@@H]4[C@H]5CC[C@@H]6C[C@H](N)CC[C@]6(C)[C@@H]5CC[C@@]43C)N2C1 255263376 RTCXOPGJLHDJMS-KCQMCSDVSA-N 414.678 4.672 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 586915866 IUSGCOOZOIGPQW-BBATYDOGSA-N 420.694 4.590 0 1 HJAF O=C1c2ccccc2-c2cc(COc3ccc4ccc(=O)oc4c3)nc3ccc(O)c1c23 586993909 LSOCCNSEFOFCAQ-UHFFFAOYSA-N 421.408 4.837 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 587025904 IXJBZFFKSLSQAS-BVGQSLNGSA-N 401.482 4.978 0 1 HJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587071256 YEPFUWBXRKAXAM-VIFPVBQESA-N 400.654 4.542 0 1 HJAF COc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OC)c1 587102988 CDMZWAFBHDCMNH-UHFFFAOYSA-N 424.456 4.645 0 1 HJAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cnc(Cl)[nH]c-2n1 587121855 NRKNKLFACJMRTD-UHFFFAOYSA-N 411.796 4.955 0 1 HJAF Fc1c(F)c(-c2nc3cccc(I)c3[nH]2)c(F)c(F)c1S 587133902 DFCBHUAGVDANAS-UHFFFAOYSA-N 424.160 4.680 0 1 HJAF O=C(/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1ccccc1 587245555 ZMDZDBPXGMHGPC-VOTSOKGWSA-N 410.193 4.996 0 1 HJAF O=C1c2ccc(O)cc2OC2(CCN(CCC(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 587332983 UIFIYBOPGZSCDO-LJQANCHMSA-N 423.406 4.677 0 1 HJAF COc1cc(Cl)ccc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498276 DUJXRVOEGLEWIU-HSZRJFAPSA-N 413.901 4.980 0 1 HJAF CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587519313 YVBBJPMHNAEQJF-DLBZAZTESA-N 415.530 4.661 0 1 HJAF C[C@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553184 UEDPIEOPEXAYNB-NZQKXSOJSA-N 423.852 4.795 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1ccccn1 587574039 YDXFJDXKIJLCAH-DHLKQENFSA-N 413.404 4.832 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cnccn1 587585482 DISXXOOUSUJSRZ-QPPBQGQZSA-N 412.401 4.677 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1 587711588 LENBDLNGFKHPMW-PWJLMRLQSA-N 404.201 4.936 0 1 HJAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587716801 DXCUAQWIXZHCQS-YYSFKGJASA-N 400.238 4.889 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccc(F)cc3)c2)N1 587731114 KHIVVWKCRUXXKA-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794480 VGDMEEQLCYSWQI-FVINQWEUSA-N 423.326 4.673 0 1 HJAF COc1ccccc1OCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)o1 587874496 CZCSDQPTRQQQDS-UHFFFAOYSA-N 406.369 4.664 0 1 HJAF COc1cccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)c1 587931269 NMCDYLLJVYGHMD-UHFFFAOYSA-N 410.109 4.882 0 1 HJAF COc1cc(CCc2cc(Nc3ncnc4c(Cl)cccc34)n[nH]2)cc(OC)c1 653842116 KICPMPKKPFQRJI-UHFFFAOYSA-N 409.877 4.552 0 1 HJAF C[C@@H]1Cn2c(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccnc(CF)c3)c2CCO1 1772653791 ZFDGRVNBJAHAFT-CYBMUJFWSA-N 421.394 4.941 0 1 HJAF C[C@@](O)(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)C(F)(F)F 1857542371 RWBSXNHLRLVENO-GOSISDBHSA-N 416.436 4.839 0 1 HJAF C[C@H](N)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H](N(C)C)C4(C)C)C=C3CC[C@@]12C 2356559495 FNCLBKRKCPCSJN-BVQMFVOOSA-N 400.651 4.760 0 1 HJAF O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)[nH]n1 6849587 RIPJJEVBLRLKEN-UHFFFAOYSA-N 400.434 4.933 0 1 HJAF COc1ccc(CCCCCNCCOc2cc(F)cc3c2O[C@@H](C)CC3)cc1 13780388 UBWLZYQXDRBUDO-SFHVURJKSA-N 401.522 4.929 0 1 HJAF O[C@@H]1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 28822094 FWIUHLWLODRVDP-GOSISDBHSA-N 410.739 4.638 0 1 HJAF CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 38512545 MVMGLBVDIRQELW-HNSSNFPDSA-N 417.615 4.926 0 1 HJAF COc1ccc2nc(N3CCC(N4CCCC4)CC3)nc(NC3CCCCCC3)c2c1 40860847 FSPOQBZJWMWXHN-UHFFFAOYSA-N 423.605 4.838 0 1 HJAF O[C@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)c2)C1 45338362 RPDCTDXIASTVJO-QFIPXVFZSA-N 401.485 4.993 0 1 HJAF Cc1ccc(-c2c(C(=O)N(C)[C@H](C)c3ccccc3)n(C)c(=O)c3ncccc23)cc1 49237174 VEDXOPSEGUKALQ-GOSISDBHSA-N 411.505 4.742 0 1 HJAF c1ccc(CCCNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1 82179897 CPUJXZRKVJODFT-UHFFFAOYSA-N 424.508 4.769 0 1 HJAF CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3nc(-c4ccc(Cl)cc4)oc13)C2 101372622 HMQQYASRCXSQBR-QZTJIDSGSA-N 409.917 4.893 0 1 HJAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1Cl 103211767 HJFRTFAZMPXYOW-HXUWFJFHSA-N 401.857 4.603 0 1 HJAF O=C(O)C[C@H]1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(Cl)c3)cc21 114902155 NBUJRVWORRAMCY-GOSISDBHSA-N 405.281 4.715 0 1 HJAF C[C@]12CC[C@@H]3[C@@H](Cc4nn(Cc5ccccc5)c5c4[C@@]3(C)CCC5=O)[C@@H]1CCC2=O 169319066 BXNNFPHCTNPRQD-PSLIKIDCSA-N 402.538 4.733 0 1 HJAF CCc1ncc(Cc2ccc3cccc(NC(C)=O)c3n2)c2cc(OC)c(OC)cc12 205659622 DHNCLHWOKCAUCS-UHFFFAOYSA-N 415.493 4.912 0 1 HJAF OCC12CCC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)(CC1)CC2 586895237 BDUSEKNZXWOXDZ-UHFFFAOYSA-N 403.242 4.929 0 1 HJAF O[C@@H]1C[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2ccccc21 586900139 AEJWYDKDJLVPQM-SMDDNHRTSA-N 413.193 4.793 0 1 HJAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586985275 UADDPJIMGZGVPY-HNNXBMFYSA-N 410.674 4.538 0 1 HJAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)c(C2CC2)n1 587229971 NVTDBFQCMUHLLU-UHFFFAOYSA-N 400.429 4.805 0 1 HJAF COc1ccc(CC[C@]2(C3(O)CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403628 JULGXIRZKXVLIX-RUZDIDTESA-N 409.526 4.618 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cc(Cl)sc1Cl)O2 587409843 JREZGQHQMZECLG-QGZVFWFLSA-N 400.283 4.671 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(F)cc13)CC2=O 587470784 IXXVWTWPQOBIKC-IBGZPJMESA-N 411.429 4.848 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(F)cc2CCc2ncccc21 587471616 LNAQCNUYOMTWRM-VWLOTQADSA-N 403.453 4.886 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(O)ccc2Oc2cccc(O)c21 587485594 IWZHZYJNJVZVJZ-DEOSSOPVSA-N 404.418 4.771 0 1 HJAF Cc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544283 KCJIPGVOMADHMQ-UZLBHIALSA-N 412.239 4.561 0 1 HJAF Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587552016 MIRYJGTWUWITNE-DYVFJYSZSA-N 403.221 4.500 0 1 HJAF COc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c12 587578549 RFJDMGFMMFBSGF-HYBUGGRVSA-N 401.418 4.595 0 1 HJAF Cc1cc(C)n(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 587582425 POCCTCRVDCTPTK-RCZVLFRGSA-N 412.445 4.898 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594729 IDLANHKBXXRNRC-RDGATRHJSA-N 418.445 4.511 0 1 HJAF CCOc1ccc(CN(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743150 VXRNUSAKSKCHRC-ZSEKCTLFSA-N 421.354 4.672 0 1 HJAF CCOc1cc(OC)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803500 WQJGBSDFKXNTKE-YUNKPMOVSA-N 408.311 4.793 0 1 HJAF COc1cccc(C[C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587809934 RVNZJXCOCLTXRB-ZSEKCTLFSA-N 404.323 4.979 0 1 HJAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949440 GQROBGKKQAXYGZ-QINSGFPZSA-N 419.506 4.776 0 1 HJAF COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)c4ccccc34)s2)cc1 653688506 DILXNRRDLOTNSS-UHFFFAOYSA-N 404.447 4.922 0 1 HJAF C[C@@H]1C[C@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)[C@@H]2CCCC[C@H]2N1 962635371 HYVSQVCWHUEELT-WTADFOMQSA-N 401.598 4.569 0 1 HJAF CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)cc2[C@@H](OC[C@H]2CC2(F)F)C[C@H]1C 1772616693 HCTGGDLUYRDBEX-PJUBBZNESA-N 401.457 4.743 0 1 HJAF CC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2C=C(C)CCC=C(C)CC[C@@H]2[C@@](C)(O)[C@@H]1OC(C)=O 2356798066 OVEVGFJFJBVGGZ-MVPXGEJYSA-N 406.563 4.586 0 1 HJAF CC[C@]1(c2ccccc2)ON(c2c(Br)cccc2Br)C1=O 36387687 IDIBHZDYXUVINB-MRXNPFEDSA-N 411.093 4.795 0 3 HJAF CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3CCc2ccccc2)c1 1369002 FAFGIPQTHULIJD-DNQXCXABSA-N 405.542 4.639 0 1 HJAF CCCN(CCC)C(=O)C[C@@H]1C(c2ccc(Cl)cc2)=N[C@@H]2C=CC(Cl)=CN21 27435427 AGKYWEYHIUTMKX-MOPGFXCFSA-N 406.357 4.828 0 1 HJAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCC[C@H]3c3ccccc3)[nH]2)c1 28243053 XKRYBGZHAIRWAY-QHCPKHFHSA-N 424.566 4.821 0 1 HJAF CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3F)oc2C)c1)C(=O)O 34717698 OEAWGOQTYLNWOU-QFIPXVFZSA-N 422.456 4.824 0 1 HJAF COC(=O)c1c(Oc2c(O)cc(C)cc2C=O)ccc([C@@H](CC(C)C)OC)c1OC 36444069 TYXLCESJSOTYSR-LJQANCHMSA-N 416.470 4.834 0 1 HJAF biogenic Cc1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O 40875617 VPAVORUXEPMKTN-UHFFFAOYSA-N 420.868 4.576 0 1 HJAF CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3csc4ccccc34)ccc2C1 40918942 XWXCMQFSARGQNK-UHFFFAOYSA-N 412.580 4.983 0 1 HJAF COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1OC 45321484 OJDMLTFNQRISEI-DHIUTWEWSA-N 417.461 4.582 0 1 HJAF COc1ccc(C2(c3nc4c(C(F)(F)F)cccc4c(C(=O)O)c3O)CC2)cc1 58563824 LCVIFSMRTRHAJQ-UHFFFAOYSA-N 403.356 4.746 0 1 HJAF O=C(NCC1CCCCC1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141975 OCDOLXFGWCTHPX-UHFFFAOYSA-N 422.504 4.840 0 1 HJAF O=C(Cc1ccccc1)Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 95584198 REBYUGZHCQXTSQ-UHFFFAOYSA-N 405.461 4.664 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176926 GFIGTNGISUKHQE-XJKSGUPXSA-N 409.404 4.712 0 1 HJAF COc1ccc(/C=C/C(=O)n2ccc3cc([125I])ccc32)cc1 102004082 LSYZIOTZQQOBSP-PVYCNWPZSA-N 401.220 4.608 0 1 HJAF Cc1nc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3Cl)CC2)sc1C 117306089 ZVNVSBYNJGKUBN-XBXGTLAGSA-N 413.374 4.862 0 1 HJAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CCN(C2CCC2)CC1 146412155 GCYYFPLNLTVLQL-UHFFFAOYSA-N 407.484 4.859 0 1 HJAF CN(C)C12C[C@H](NCCN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 299812030 LLSXDPCIBNMKAU-XVUSDXPISA-N 417.641 4.722 0 1 HJAF Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 299825323 BYDAZLAGVKKWJF-UHFFFAOYSA-N 400.916 4.537 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3Cc1ccc2c(c1)OCO2 586991053 KQVJREMHFCALGH-CQSZACIVSA-N 407.425 4.763 0 1 HJAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)s3)nc3ccc(O)c1c23 586992895 AASZNIIPYCUXKZ-UHFFFAOYSA-N 414.486 4.717 0 1 HJAF COc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1F 587031891 QDRARUVFADNYMV-MIJYTDESSA-N 418.519 4.838 0 1 HJAF C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2O 587215878 PFHFMHJAVNAZPF-GONAWMJTSA-N 415.577 4.847 0 1 HJAF C[C@]1(C(F)(F)[C@H](F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550935 WFQULNQUERIPOI-RCBQFDQVSA-N 406.278 4.648 0 1 HJAF CCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 587585298 CZFQXXYRVMLHQB-NFBKMPQASA-N 414.417 4.708 0 1 HJAF CCOCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587599666 YSZGTFSPCTWKGC-QPPBQGQZSA-N 406.434 4.640 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C(=O)O)CC[C@@]2(C)C3(C)C)N1 587824935 DOAHJHGDGRUQMZ-WLPYNXSRSA-N 410.327 4.619 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825238 GRMRCKHAZDRQKP-BHPXDGFMSA-N 408.355 4.669 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)CN1CCC(C)CC1 587866029 BLSLCSIKFSRLDN-INIZCTEOSA-N 423.479 4.976 0 1 HJAF Cc1noc2nc(-c3ccco3)cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c12 587873191 DHPYOHWJSIULMK-UHFFFAOYSA-N 402.341 4.588 0 1 HJAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)c2nc3cccnc3[nH]2)cc1Cl 653784982 MLDNEBSJFNQGOY-OAHLLOKOSA-N 403.935 4.727 0 1 HJAF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)N(C)[C@@H](C)C2 962630453 NLMZYEVXFUBBEZ-MRDQGFSESA-N 417.505 4.570 0 1 HJAF CC(=O)Oc1ccccc1[C@]1(c2cccc(C)c2C)NCCc2c1c(C(C)C)nn2C 962925581 ZRPJQLQUHPWWLC-SANMLTNESA-N 417.553 4.523 0 1 HJAF Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3cnc(C4CC4)o3)cc1)CCCO2 1772623308 JZOBUVQQTQZEEP-UHFFFAOYSA-N 410.495 4.505 0 1 HJAF Cc1csc(C(=O)N=c2[nH]n(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)n1 1857558997 QYELRDODWJKUBH-UHFFFAOYSA-N 416.428 4.543 0 1 HJAF CC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2356571018 DEMDQMZDGUZBDH-OVYHQHTASA-N 400.559 4.578 0 1 HJAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 767660 YOUSNCOWHLILND-ZCYQVOJMSA-N 413.521 4.800 0 1 HJAF c1cc(Sc2nc(Sc3ccncc3)nc(Sc3ccncc3)n2)ccn1 1643208 LGKPUEBCFJRWDH-UHFFFAOYSA-N 408.537 4.510 0 1 HJAF CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c3ccccc23)C1 3976210 SHXFFVWCEONIIE-ZDUSSCGKSA-N 409.338 4.604 0 1 HJAF COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)cc1 13557918 UWIBDZFLGMDOIW-UHFFFAOYSA-N 410.857 4.862 0 1 HJAF CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 13586273 WDWGPVKQXKUYMD-UHFFFAOYSA-N 406.526 4.756 0 1 HJAF COc1ccccc1N1CCN(CCS[C@H]2CCCc3c(OC)cccc32)CC1 13740687 XMEWZTDTPHMFTH-DEOSSOPVSA-N 412.599 4.637 0 1 HJAF CN(CCCN1CC=C(c2ccccc2)CC1)S(=O)(=O)c1cccc2ccccc12 13823457 CLWWAJOKDWLIFS-UHFFFAOYSA-N 420.578 4.640 0 1 HJAF O=C(O)c1cn(C2CC2)c2c(F)c(CNc3ccc(F)c(Cl)c3)c(F)cc2c1=O 27311291 TXKITCMQEVQXCP-UHFFFAOYSA-N 422.790 4.717 0 1 HJAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1 28522694 MEXFJYCVDSFQPN-UHFFFAOYSA-N 408.327 4.743 0 1 HJAF CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 34341831 KXTDPQYMFXDMPR-UHFFFAOYSA-N 411.549 4.547 0 1 HJAF C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 35943598 QEJPFCHVBBYBQL-ZDUSSCGKSA-N 421.840 4.588 0 1 HJAF Cc1cccc(-c2ccc(C[C@@H]3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)c1 40762903 MZXKABAECJJLMM-NRFANRHFSA-N 404.897 4.633 0 1 HJAF COc1ccccc1-c1[nH]c(Br)c(Br)c1Br 71295064 SVPPMUTUUFYXCN-UHFFFAOYSA-N 409.903 4.978 0 1 HJAF COC(=O)c1cccc(-c2cnc(C(=O)[C@H]3Cc4ccc(-c5ccccc5)cc4C3)o2)n1 71315765 HURHIMGWVUORCU-FQEVSTJZSA-N 424.456 4.788 0 1 HJAF CC(C)(C)OC(=O)NC1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72185984 MGYGXSLZKFRILB-HXUWFJFHSA-N 419.928 4.953 0 1 HJAF O=C(c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1)N1CCCC1 82215045 KKUVASDPVWKFEA-UHFFFAOYSA-N 410.880 4.784 0 1 HJAF O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 95878865 CLIVIFLLNNUVCZ-IEXUWNMDSA-N 420.459 4.622 0 1 HJAF COc1ccc(-c2cnc(N3CC(Oc4ccc([C@H](C)CC(C)=O)cc4)C3)nc2)cc1 96172914 ASCVDXQJAXSKEE-QGZVFWFLSA-N 417.509 4.502 0 1 HJAF O=C(Nc1ccccc1)Nc1cccc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 116182418 WTGSPWFNBNZLCR-SFHVURJKSA-N 412.497 4.986 0 1 HJAF CCCCN(C(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 148275616 WTMPZTOIYURJBE-UUYLNXRPSA-N 402.623 4.867 0 1 HJAF Cc1ccc(-n2ccnc2SCc2nc3cc(Br)ncc3[nH]2)c(C)c1 586966902 VJXVAWKDWAWQAJ-UHFFFAOYSA-N 414.332 4.815 0 1 HJAF CC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586967087 WDCUNOJYUPLGQN-UHFFFAOYSA-N 403.511 4.575 0 1 HJAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnc3ccccc3c2[nH]1 587001458 QOZUQMOIGAZWPP-HNNXBMFYSA-N 406.287 4.597 0 1 HJAF Cc1nc(Br)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587010629 FPHUPIACRFYKPK-UHFFFAOYSA-N 408.506 4.568 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cc(Br)c2[nH]1 587064990 JLCQEPVHGUGQBF-UHFFFAOYSA-N 409.667 4.687 0 1 HJAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 587116699 BWPNAZPHAFPNJA-UHFFFAOYSA-N 424.018 4.507 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCC(C)C)[C@@H](C2)C3=O 587416554 CZNQQRLKMCMVJA-HRAATJIYSA-N 417.299 4.981 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1cc(F)cc(F)c1)CC2=O 587468385 UUBUUJNGISVEEA-JOCHJYFZSA-N 404.409 4.739 0 1 HJAF CCOC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587513539 CATPTDXDHIMZQI-HSZRJFAPSA-N 403.478 4.790 0 1 HJAF CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587519041 UJMRRGRQDQDTLR-OYRDERLMSA-N 411.542 4.936 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575981 LRPQLIQVAWTQRU-PXDATVDWSA-N 412.445 4.538 0 1 HJAF CC(=O)SC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605040 ARYSRDVCBCDTPN-NZQKXSOJSA-N 406.459 4.529 0 1 HJAF Cc1cccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587660704 RQQCCNCDVPITPE-UHFFFAOYSA-N 402.425 4.539 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)(F)F)N1 587706521 QNYFOUQEWMFQQJ-ABKXIKBNSA-N 420.200 4.746 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(F)c3)c2)N1 587735570 XUBPXPMPARBCHC-WYRIXSBYSA-N 404.258 4.537 0 1 HJAF Cc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777421 HPNDEUGLPCTNFV-WLRWDXFRSA-N 401.279 4.774 0 1 HJAF CCc1nn2cc(-c3nc4ccc(OCc5ccc(OC)cc5)cc4o3)nc2s1 653667560 NDSCKXDOMZTJQT-UHFFFAOYSA-N 406.467 4.749 0 1 HJAF COc1ccc2c(c1OC)[C@H](c1c3ccnc-3[nH]cc1C(F)(F)F)N(C)[C@H](C)C2 962642597 WCGKCOYWPRULRL-ADLMAVQZSA-N 405.420 4.516 0 1 HJAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](C2CCC2)(C2CC2)N1C(=O)c1ccccc1 963413375 GTNUGRCMBIQIKR-NVQXNPDNSA-N 414.505 4.725 0 1 HJAF CN=c1[nH]c2cnc(-c3cccc(Oc4ccccc4)c3)cc2n1Cc1cccnc1 1857615571 CJZQREBKGSYWOZ-UHFFFAOYSA-N 407.477 4.798 0 1 HJAF CSc1ccccc1N1CCN(CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 1857755061 SNCMENCIARUXEQ-LJQANCHMSA-N 411.398 4.961 0 1 HJAF O=C(Cc1c[nH]c2ccccc12)Nc1cccc(C2=Nc3cscc3NC(=O)C2)c1 1857756319 VDANWKPAMYHYQT-UHFFFAOYSA-N 414.490 4.874 0 1 HJAF COc1ccc(C(C/C=C/CN2CCC[C@H](C(=O)O)C2)c2ccc(OC)cc2)cc1 1857771226 IIXMGYFUVJQBED-SHTLVRLNSA-N 409.526 4.579 0 1 HJAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc(C(F)(F)F)c1 199717498 MOLQZSCCYQGZRW-SFHVURJKSA-N 424.850 4.670 0 3 HJAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cn(C)c2ccccc12 2468653 HBJQZHPATJTLKS-RPWUZVMVSA-N 415.537 4.538 0 1 HJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214661 DXANDXDXHKOUAG-HZEGPAAWSA-N 424.944 4.913 0 1 HJAF O=C(c1ccc(O)cc1)N1CCc2c(n(Cc3ccc(F)cc3)c3ccccc23)C1 14946235 KJLBRKXUPMESKQ-UHFFFAOYSA-N 400.453 4.733 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26730201 HPFQTJINQTUEHG-RBBKRZOGSA-N 418.537 4.888 0 1 HJAF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC/C=C/c3ccccc3)C4)c2c1 28817529 HMNZJCGVVVGLPA-WKOQKXSESA-N 410.521 4.589 0 1 HJAF CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 29042728 APOPUEQFZRFLIJ-UHFFFAOYSA-N 406.614 4.757 0 1 HJAF CCOC(=O)C1=CN(C(=O)c2ccc(OC)cc2)CC(C)(C)c2c1[nH]c1ccccc21 36409808 LGDZCIUWYQBABV-UHFFFAOYSA-N 418.493 4.514 0 1 HJAF CC(C)(Oc1cccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)c1)C(=O)O 40423740 WVOMNOYIQFGZFD-UHFFFAOYSA-N 415.917 4.750 0 1 HJAF O=C(O)C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2ccccc21 43194206 GMKSWUJYABRINI-JFWWPOKHSA-N 422.569 4.517 0 1 HJAF CN(C)c1ccc2c(CC(=O)O[C@H]3CC[C@H]4C(C)(C)CCC[C@]34C)cc(=O)oc2c1 49756885 SYBKXSRFQXHAPE-WATLYSKOSA-N 411.542 4.940 0 1 HJAF O=C(Nc1ncnc2[nH]c(/C=C/c3ccccc3)nc12)c1cccc(Br)c1 58651046 NUQZOTJLXDZLJL-MDZDMXLPSA-N 420.270 4.538 0 1 HJAF C[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C(=O)O 66098535 IACLMJZHCWFCBZ-PGRDOPGGSA-N 421.537 4.587 0 1 HJAF O=c1c(CO)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc12 84653286 MECGORHHZBBTMN-UHFFFAOYSA-N 412.367 4.648 0 1 HJAF Cc1ccccc1C(=O)N[C@@H]1CCN(CCSc2cccc(Cl)c2Cl)C1 95573762 HNMBLRKSPJPQKY-OAHLLOKOSA-N 409.382 4.898 0 1 HJAF Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCC[C@H]1c1cccnc1 95589476 OLDJOUOYWYORKE-IBGZPJMESA-N 410.905 4.937 0 1 HJAF CCCCCC(=O)Oc1c(OC)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 95594554 QKTMOFCEKLXJHN-FQEVSTJZSA-N 423.509 4.565 0 1 HJAF CC1(C)[C@@H]2CC[C@@]3(C)Oc4cc(O)c(-c5cc(=O)c6c(O)cc(O)cc6o5)cc4[C@@H]1[C@@H]23 95912676 WRBXVJKFKHACHK-VGSGKQCPSA-N 420.461 4.878 0 1 HJAF biogenic,in-vitro CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1c-3nc2ccccc2c1C1CCCC1 96934897 SZABKTOPVKQXCK-RPBOFIJWSA-N 420.484 4.506 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4cccc5ccccc45)ccc31)[C@H]1CC[C@H](C2)N1 100632430 NWHVHIGJPJTYST-OXQOHEQNSA-N 402.519 4.514 0 1 HJAF COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCCC3)n2)cc1 104928884 AKCCBDLWFFCBJQ-QKLQHJQFSA-N 423.561 4.757 0 1 HJAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 147169342 GYOICOQQOOSYLR-VDZJLULYSA-N 420.525 4.886 0 1 HJAF O=C(c1ccc(-c2cccs2)nc1)N1CCC(N2C(=O)OCc3ccccc32)CC1 148662403 GQPVADGJKGUOEG-UHFFFAOYSA-N 419.506 4.572 0 1 HJAF CCOC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1[C@]21N=C(C)C(N)=N1 169708848 GOOGDNLQKOSOJY-VZYOYLOZSA-N 422.960 4.908 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CC[C@@H]3O[C@]3(C)[C@]12C 238756398 CSSGXDLJYUSHNP-BIOUPVJLSA-N 416.558 4.748 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299875565 DDDZTNYHZSHMGG-MLDBQTBOSA-N 416.562 4.519 0 1 HJAF Cc1c(Cl)ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586934794 AYECMWRHVJJTFK-MRXNPFEDSA-N 412.342 4.854 0 1 HJAF Cc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 586956487 LXASGTWZDYMIOH-UHFFFAOYSA-N 423.925 4.943 0 1 HJAF COc1nccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586996967 ABWLWMGXWBCOHD-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1F 587139929 ATOJHFVMIOBVQJ-UHFFFAOYSA-N 417.412 4.756 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(Br)c1)O2 587375730 FVUGZEJEVZHANB-HNNXBMFYSA-N 411.093 4.809 0 1 HJAF C=CN1CCCC[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477456 YFPSPVCFMMEJBI-HFZDXXHNSA-N 419.521 4.978 0 1 HJAF COc1ccc([C@]2(c3ccccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587523499 JJIFCGGLDZOHRU-AREMUKBSSA-N 416.473 4.894 0 1 HJAF Cc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587572218 ONLJBJVTJTWDKT-CUVBYSPASA-N 415.489 4.941 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)cc1 587617571 KIYMWXFAILGFIS-ZJSXRUAMSA-N 419.502 4.648 0 1 HJAF Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587658523 NWRSXNUVTDESNA-QGZVFWFLSA-N 416.452 4.927 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Br)c2)N1 587675291 AUZNSMKGOGEIPE-BCTVWOGZSA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cn2)N1 587714353 PLGGKZSNTAYTEI-FVMDXXJSSA-N 403.217 4.800 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2-n2cccn2)N1 587715266 BTXKAOPHEFFWCU-ADLMAVQZSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2F)N1 587731924 MAHFSMBVODMVPQ-MLXNANBUSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2ccccn2)N1 587734805 VVCFAAMHPRITCS-YEJXKQKISA-N 415.281 4.948 0 1 HJAF CCn1c(=O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2ccccc21 587771430 SRHNCYNTNUQESZ-FKIZINRSSA-N 415.306 4.547 0 1 HJAF CCOC(=O)[C@]1(c2cc(C)ccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800498 YDFWXPOADNHZLV-SPLOXXLWSA-N 420.322 4.546 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587805157 SGOOJHOLZNMSPA-FVINQWEUSA-N 417.278 4.565 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Cl)cccc1Cl 587866927 MSCDTGWYAFXUFF-UHFFFAOYSA-N 416.186 4.968 0 1 HJAF COc1ccc(CCCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC 587926266 MBLZZSBLRNJQIQ-UHFFFAOYSA-N 410.699 4.566 0 1 HJAF COc1ccc2cc([C@@H](C)c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)ccc2c1 587935256 RJEXVRJWZZFAFA-OAHLLOKOSA-N 412.493 4.632 0 1 HJAF CCOC(=O)[C@]1(c2ccccc2CC)c2cccc(F)c2CCN1[C@H]1CCSC1 962697696 HQIZDAWSPCMLAX-UUOWRZLLSA-N 413.558 4.558 0 1 HJAF Cc1cc2c(cc1Cl)[C@@]1(C(Br)=CO2)c2nc(Cl)cc3c2CCN1C3 963474574 WNHJRLMBWFSVPC-GOSISDBHSA-N 424.125 4.941 0 1 HJAF Cc1ccccc1Cn1c(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)sc1=O 61928986 DSYFADNBTDTXMT-UHFFFAOYSA-N 420.456 4.524 0 3 HJAF CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21 95600108 IFBBTGBLNIVZHU-IBGZPJMESA-N 416.506 4.875 0 3 HJAF O=C(NCc1ccccc1)OCCN1C(=O)CCC12CCC(c1ccccc1)CC2 96019314 QVALWNYZAVLAHE-UHFFFAOYSA-N 406.526 4.632 0 3 HJAF CCCCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC 3832357 ZHIFGBYEQJQNRE-UHFFFAOYSA-N 413.474 4.587 0 1 HJAF O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)[C@@H]1CS[C@H](c2cccnc2)N1 13737446 CGUCUCACHWMBAL-LADGPHEKSA-N 415.518 4.728 0 1 HJAF O=C(O)C[C@@](O)(CSCCCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758098 PZFBSIOCPUZCDA-GOSISDBHSA-N 423.358 4.510 0 1 HJAF C=C1c2ccoc2C[C@@H]2[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@@]21C 14884140 HFNVHZJPKIAXND-QODIRQNUSA-N 400.515 4.791 0 1 HJAF biogenic NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1/C=C/c1cccc2ccccc12 26484123 AODZHARIGFCGAC-VRAYXWLRSA-N 420.512 4.837 0 1 HJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1/C=C/[C@@H](O)COc1ccc(F)cc1 27553488 IMOYQSALPFSZJN-NPJAONGWSA-N 402.506 4.985 0 1 HJAF CCC[C@@H](NC(=O)Cc1ccc(C(=O)O)c(OC)c1)c1ccccc1N1CCCCC1 27559867 QLQBJLOVOBRJFZ-OAQYLSRUSA-N 424.541 4.584 0 1 HJAF CCOC(=O)c1ccc(NC(=O)CCCCCCCCCCSC(=N)N)cc1 29216651 LNEICQPPLUCHHU-UHFFFAOYSA-N 407.580 4.939 0 1 HJAF O=C(Nc1nccs1)c1c(C(F)(F)F)nc2cc(C(F)(F)F)ccc2c1O 29237245 RBYPZDLIJYSVRU-UHFFFAOYSA-N 407.295 4.687 0 1 HJAF CCN(c1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2)c1c(C)cc(C)cc1C 29248350 SXYJSLIWXBRHJT-UHFFFAOYSA-N 419.525 4.567 0 1 HJAF Cc1ccc(O)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F 34802043 NECATTFIGHYGNH-QFIPXVFZSA-N 419.443 4.677 0 1 HJAF O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 40429728 VUPDMJLETWSFDS-UHFFFAOYSA-N 405.479 4.504 0 1 HJAF O=c1c2c(nc3n1CCCCC3)sc1c(Sc3ccccc3)c(CO)ccc12 45258267 KXTHRALGLVLMEU-UHFFFAOYSA-N 408.548 4.981 0 1 HJAF CCCC[C@H](CC)CNc1nc(N2CCSCC2)nc2cc(OC)c(OC)cc12 82127482 MIASDDVIPKWVGB-INIZCTEOSA-N 418.607 4.829 0 1 HJAF OC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)CC1 82164645 WZSAKFJQHNREGE-UHFFFAOYSA-N 406.486 4.521 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccco2)C1 82216511 OMBYGVFPQYKGLK-ZWKOTPCHSA-N 404.514 4.999 0 1 HJAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5ccccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632432 NSPYKRDDGBDZCC-UWJYYQICSA-N 402.519 4.514 0 1 HJAF O=C(NCc1ccccc1Cl)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 101569877 VKZPUSKLFYXJGE-UHFFFAOYSA-N 408.914 4.785 0 1 HJAF O=C(c1ccncc1)n1nc(-c2ccc(F)cc2)cc1-c1cc2ccccc2oc1=O 103187748 VEHHYNSMNNQXRW-UHFFFAOYSA-N 411.392 4.546 0 1 HJAF CC(C)(C)OC(=O)n1cc(-c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)nc1N 103267322 VPJWOZNUFWSDSM-UHFFFAOYSA-N 417.469 4.649 0 1 HJAF CCC[C@@H](Nc1cncc(-c2ccc(CN3CCN(C)CC3)cc2)n1)c1ccccc1 135692813 YFBGGFYQWFMGGW-XMMPIXPASA-N 415.585 4.844 0 1 HJAF COc1ccc(-c2sc(C(=O)O)cc2-c2cc(OC)c(OC)c(OC)c2)cc1O 137956425 LKBASYAQQDZLHD-UHFFFAOYSA-N 416.451 4.520 0 1 HJAF Cc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695175 JVXCSRKIMVNCIE-LEWJYISDSA-N 416.477 4.538 0 1 HJAF O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3ccccc3)cc(=O)n21 221980626 IECDEULQHSEZCB-FQEVSTJZSA-N 402.519 4.602 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CCC4=C5CC[C@H]6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255226086 LHTRHOLWAOFBGQ-HWNZGTQCSA-N 413.646 4.627 0 1 HJAF Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1 261097594 FSHSFSWCXDGVQS-HHNQPZQHSA-N 406.570 4.847 0 1 HJAF COC(=O)c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 586900272 BCKJHSRXUYNPQA-QFBILLFUSA-N 417.440 4.801 0 1 HJAF CC1(C)OC(=O)C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586906010 BKAVUXVHVGUKGR-CQSZACIVSA-N 417.387 4.643 0 1 HJAF CC(C)(C)c1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969812 OLMILSWSWQLWFE-UHFFFAOYSA-N 408.483 4.931 0 1 HJAF Cc1nc(C)c(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1 587012591 PQESXMOEOYYLQY-UHFFFAOYSA-N 406.227 4.888 0 1 HJAF O=S(=O)(O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039219 BIGSELKEXCYFTK-UHFFFAOYSA-N 423.519 4.655 0 1 HJAF Nc1ncc(-c2nc3ccc(Br)c(F)c3[nH]2)c(-c2ccccc2Cl)n1 587060384 DSPGNRXWZUQCAZ-UHFFFAOYSA-N 418.657 4.824 0 1 HJAF COc1cc(OC)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 587182377 JDIGIDKEKVMDCX-UHFFFAOYSA-N 414.630 4.505 0 1 HJAF CCCOc1cc2[nH]c(-c3ccc(NC(=O)OC)cc3)nc2cc1Br 587244234 YTBZVKUYFOPXOE-UHFFFAOYSA-N 404.264 4.960 0 1 HJAF COC1=C(Br)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587323030 JDZIZNXMDMWHSL-PXNSSMCTSA-N 419.246 4.676 0 1 HJAF COc1ccc(Br)c2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587371837 MYVLSWJQUASFAC-HXUWFJFHSA-N 416.271 4.975 0 1 HJAF COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2 587415034 YADUQPWZQBSCNQ-ZCYQVOJMSA-N 401.462 4.970 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccc(C(=O)O)cc4F)c1)[C@@H](C2)C3=O 587425391 CIWJMLIWQHYFHD-DFBJGRDBSA-N 418.420 4.862 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](O)c1ccc(C)cc1)[C@@H](C2)C3=O 587452815 VFYPVZGASQLKFP-BYXVTNLJSA-N 400.474 4.689 0 1 HJAF CCCc1c(O)ccc2c1OC1(CCCN(C(=O)OC(C)(C)C)CCC1)CC2=O 587475596 PYUKPEJXNFFOJF-UHFFFAOYSA-N 403.519 4.860 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 587652007 SUPKQZPTYWDTDH-UHFFFAOYSA-N 408.792 4.576 0 1 HJAF CCO[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1Oc1ccccc1 587813996 XLNGROIQLPYKCU-HYPSKJLKSA-N 420.322 4.574 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)cn1 587858062 XORXUJNDBINKTC-UHFFFAOYSA-N 414.090 4.797 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)[nH]n1 587860443 WPYWKFJVBGGZGO-UHFFFAOYSA-N 417.252 4.927 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1CCCCC1 587866301 JIKIIGHODSGQIT-OAHLLOKOSA-N 409.452 4.730 0 1 HJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Br)ccc(Br)c4[nH]1)(C3)C2 587969676 UIFQGVPBGAXWFO-JIIRDLKHSA-N 424.136 4.735 0 1 HJAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@H]1[C@H]1CC(C)=CCC[C@@](C)(OC(C)=O)[C@H]2O1 2356579537 DQDZRAFQWKGBTQ-UYGBGMKGSA-N 406.563 4.826 0 1 HJAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)OC(=CCCC)[C@@]4(CC3)[C@]21CCO 2356593182 ZTOVGCNYWBLMSL-HZSKFZIHSA-N 424.537 4.880 0 1 HJAF CC(=O)O[C@H](CO)COC(=O)C[C@H](C)CC[C@@]1(C)CCC[C@@H]2C1=CCCC2(C)C 2356816473 DBLFDBTUHOGKHH-AGFSROSKSA-N 408.579 4.813 0 1 HJAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)on1 61905206 NNLJMNVGAFXDLV-FQEVSTJZSA-N 405.454 4.791 0 3 HJAF O=c1[nH]c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nn1-c1cc(Cl)ccc1O 13587051 KZJHVTHAPNKQRE-UHFFFAOYSA-N 423.700 4.624 0 1 HJAF Fc1ccc(C(OCCNCCNCCCc2ccccc2)c2ccc(F)cc2)cc1 26575479 GXTFRBHYDBALAX-UHFFFAOYSA-N 424.535 4.883 0 1 HJAF O=C(Nc1cccc2cnccc12)N1CCN(c2ccccc2C(F)(F)F)CC1 28102491 BLRBXYURHNSELP-UHFFFAOYSA-N 400.404 4.608 0 1 HJAF C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1S(=O)(=O)c1ccc(Cl)cc1 28470855 OVNWHRHFWJKTER-SNVBAGLBSA-N 403.718 4.834 0 1 HJAF O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccccc1 28523985 ZKPHIXNZUUFCMT-WOJBJXKFSA-N 415.331 4.703 0 1 HJAF Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCN(C)CC4)cc2)s1 28704215 VXTBATODBHMPJK-UHFFFAOYSA-N 412.580 4.555 0 1 HJAF Clc1ccccc1[C@]1(Cn2ccnc2)OC[C@@H](c2ccc(Br)cc2)O1 28768357 JOGPZKBUAFSBRV-RBUKOAKNSA-N 419.706 4.940 0 1 HJAF FC(F)(F)c1ccc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)cc1 28771312 IOKSRIMTQHBHKC-UHFFFAOYSA-N 401.436 4.900 0 1 HJAF Cc1cc(I)cn2c(CSCCc3ccccc3)cnc12 28877320 HRWJCJGJSJZRJI-UHFFFAOYSA-N 408.308 4.723 0 1 HJAF C[C@H]([C@@H](O)c1ccc(O)c(-c2ccccc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952055 GOVLPBZWZKQMJJ-IQGLISFBSA-N 421.512 4.604 0 1 HJAF Cc1c([C@@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 33838184 MALFODICFSIXPO-KOUXDDQNSA-N 409.614 4.595 0 1 HJAF O=c1c(Oc2ccc3c(c2)OCO3)c(Cl)cnn1Cc1cccc2ccccc12 73388165 JVFYMDQJGUXYGE-UHFFFAOYSA-N 406.825 4.619 0 1 HJAF Cc1ccc(Cc2cnc(-c3cccc(C(=O)N4CCCC4)c3)c(C)c2)c(C(=O)O)c1 96173375 NRJYDOWPBQWBTD-UHFFFAOYSA-N 414.505 4.890 0 1 HJAF O=C(Nc1ccccc1Cl)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O 103170106 AHUJIHBRUGVABD-SFHVURJKSA-N 414.955 4.644 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccs1 103190353 WNAFXLSYDCONJW-OAHLLOKOSA-N 424.333 4.874 0 1 HJAF O[C@H]1CCN(Cc2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139079099 PDQFNEKPCJAYRG-SFHVURJKSA-N 418.522 4.794 0 1 HJAF Cc1cc(Cl)cc(Cl)c1CC(=O)N[C@@H]1COc2nccc(C(F)(F)F)c21 146658376 WHPCSQFLVIYRBA-CYBMUJFWSA-N 405.203 4.508 0 1 HJAF O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2F)c1F 148788604 ALLKGBRYGHMWCV-UHFFFAOYSA-N 421.346 4.691 0 1 HJAF COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C(F)(F)F 220989449 VADRFUYAPWTJKD-UHFFFAOYSA-N 405.376 4.577 0 1 HJAF O=c1ccc2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)ccc2o1 586916697 VEBSPUMLFCCKDL-UHFFFAOYSA-N 420.060 4.861 0 1 HJAF COc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)ccc1Br 586977156 OCQDYBUVFLENKL-HWKANZROSA-N 409.081 4.662 0 1 HJAF CCOC(=O)c1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990046 UJTFCKAGPMEQMI-UHFFFAOYSA-N 409.441 4.919 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238397 DAFZXHNCKFWHRG-PKQAIAMASA-N 405.926 4.771 0 1 HJAF COC(=O)c1cc(Cl)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1 587245384 XBSAJGKXVFMTNE-UHFFFAOYSA-N 405.841 4.922 0 1 HJAF O=C(/C=C/c1nc2cc(Br)c(Br)cc2[nH]1)Nc1ccccc1 587245568 ZOUKPSCNJHAQOB-VOTSOKGWSA-N 421.092 4.740 0 1 HJAF C[C@@]1(c2c(Cl)ncnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326451 BYHJADUNOAXXNM-MGPUTAFESA-N 419.239 4.902 0 1 HJAF CC(=O)c1cc(N)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587332368 GEMHRZRDJINJQF-LADGPHEKSA-N 405.425 4.590 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(F)c(C(=O)O)c3)c1)O2 587380750 CNEWOHQMFRANRB-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF COC(=O)c1ccc(F)cc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587384451 DLLDBROAXYQEHC-JOCHJYFZSA-N 405.425 4.876 0 1 HJAF CC1=C(Oc2ccccc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 587410057 VDXZZWPENLUFPX-VWLOTQADSA-N 415.445 4.846 0 1 HJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1C(=O)O)CC2=O 587479939 DDUQJPMMVYLLLF-RUZDIDTESA-N 402.446 4.952 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccccc2OC)N2CCC1CC2 587485147 PTYCNVAXLCGYTJ-KMBIYUNPSA-N 419.521 4.824 0 1 HJAF C[C@]1(CCCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587517090 GSHPMYXIGPVAAJ-SANMLTNESA-N 417.505 4.756 0 1 HJAF C[C@@]1(c2c(F)cccc2-n2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554037 CKWGQOZKUWNWSN-QPPBQGQZSA-N 416.408 4.594 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2F)no1 587571205 ZVEVPXLGJGISCK-OFNKIYASSA-N 403.365 4.889 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ncccn2)c1 587588686 UNFNHZOQUWUDLP-OFNKIYASSA-N 412.401 4.677 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccnc2)s1 587616046 YSPPKFRQENEHMD-NQIIRXRSSA-N 402.431 4.614 0 1 HJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCc1ccccc1Cl 587621927 PMJRTTXSHXACAH-UHFFFAOYSA-N 417.694 4.699 0 1 HJAF C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587638427 LCQWIPWCYCPAPV-SNVBAGLBSA-N 402.244 4.874 0 1 HJAF O=C(c1ccc2ncccc2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656448 KSPOJCMBMLSIMT-UHFFFAOYSA-N 413.383 4.578 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnc2Br)N1 587681284 KFJXBQWLMMCZOA-XXFAHNHDSA-N 414.116 4.543 0 1 HJAF C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC(C)C 587703372 GPPHRRYDXTWQRM-ROVAGQKXSA-N 409.265 4.782 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(F)F)c2)N1 587721127 VXLMEBYAIRTDAC-YPMLDQLKSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2F)N1 587738485 OUIHJJAMNJCJOM-JKYUHCHBSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587756891 SEEYIAKBJPZHNC-SMDDNHRTSA-N 415.347 4.857 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587767255 IPVACTQVPJJIDR-MCMMXHMISA-N 424.317 4.994 0 1 HJAF Cc1ccncc1[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587771305 BUZMOZUDPYELRS-QKKBWIMNSA-N 412.306 4.513 0 1 HJAF CCOCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587798596 PDVIQGIFWSXNHA-ODXCJYRJSA-N 408.311 4.757 0 1 HJAF COc1ccc(Cl)c2c1CCN[C@]21CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 963260540 XZFRMOROKAISCJ-QHCPKHFHSA-N 420.981 4.891 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCCC(=O)O)c1c(C)cc(C)cc1C 963636719 RUJKKEFJLHJCSI-IQGLISFBSA-N 411.542 4.662 0 1 HJAF CCCSc1nc(Sc2ncccn2)c2[nH]c(=Nc3ccccc3)sc2n1 1857628889 YVMIVNYICBLRGV-UHFFFAOYSA-N 412.569 4.695 0 1 HJAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356308262 GTCXMCSEJGCQHK-YTFSRNRJSA-N 422.569 4.913 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 2356533655 NMFWDNZLNHRNAT-JDUPRPCBSA-N 413.646 4.627 0 1 HJAF CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)CC1 82140811 SRBVUQPVUJIETD-ROUUACIJSA-N 410.537 4.637 0 1 HJAF Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)o1 82152148 POXFJPNIDAGWGH-HZPDHXFCSA-N 422.504 4.914 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccc(-c2ccccc2)cc1 82153936 GFOBPEODPDSXAS-SFHVURJKSA-N 418.541 4.787 0 1 HJAF O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccc(F)c(F)c1 116762468 AEDRMOJVXSDLTA-UHFFFAOYSA-N 419.225 4.954 0 1 HJAF c1ccc(-c2csc3nc(N4CCC(COCCN5CCCC5)CC4)ncc23)cc1 146362659 OAISYTVEIFLVFW-UHFFFAOYSA-N 422.598 4.687 0 1 HJAF COC(=O)c1cc2[nH]c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)nc2cc1OC 586881151 TVKGJPNBSGWGOC-UHFFFAOYSA-N 400.434 4.895 0 1 HJAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586906403 MCQBAIRFKUHJLV-CYBMUJFWSA-N 415.287 4.714 0 1 HJAF Cc1ccc2c3c(cc(-c4c(Br)cnn4C)nc13)-c1ccccc1C2=O 586992398 AZEKPCPDHJGYKG-UHFFFAOYSA-N 404.267 4.918 0 1 HJAF CC(C)Oc1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004203 RBPRYBKFRZXXIQ-GFCCVEGCSA-N 415.287 4.748 0 1 HJAF COc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 587020075 VQYHUCYPPCZCAZ-UHFFFAOYSA-N 407.318 4.505 0 1 HJAF O=C(O)c1cc(Br)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587063116 PFDSJGUECBXBAE-UHFFFAOYSA-N 418.634 4.999 0 1 HJAF COC(=O)c1cc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 587134456 GLYXKUAMWGESIS-UHFFFAOYSA-N 412.371 4.760 0 1 HJAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587424212 YBZYEGAXMUNKJV-CCARXQROSA-N 404.293 4.720 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4sccn14)[C@@H](C2)C3=O 587429954 XYSKMZHMBSAWFN-YCRPNKLZSA-N 406.438 4.699 0 1 HJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4Cc5ccccc5C4=N)c1)[C@@H](C2)C3=O 587441468 FSYSLPRGLZQXGD-LVXARBLLSA-N 410.473 4.704 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(=O)c1ccccc1)[C@@H](C2)C3=O 587441862 JFTYGGMAGDWWBE-UQBPGWFLSA-N 400.430 4.577 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1N(C(=O)OC(C)(C)C)CCC4)[C@@H](C2)C3=O 587445330 VBGWWIKYGAMEOS-MBSDFSHPSA-N 421.493 4.872 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(I)c1)CC2=O 587472053 PHJNVHWDOVSPRO-QGZVFWFLSA-N 408.235 4.656 0 1 HJAF CCOc1cc(OC)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594392 HGIDEQMAIXASFG-QPPBQGQZSA-N 406.434 4.677 0 1 HJAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 587600577 OMITWAPTFARNGT-DHLKQENFSA-N 402.446 4.983 0 1 HJAF O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ncc2ccc(Cl)cc2c1=O 587651366 IFSUPKNZVBTPJL-UHFFFAOYSA-N 420.696 4.776 0 1 HJAF Cc1cccc(C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587701775 CWIKVEQRXNQXEF-GTNSWQLSSA-N 417.244 4.826 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(F)cc2)N1 587735825 QKEVGBLVQWYELI-LRTDBIEQSA-N 415.281 4.948 0 1 HJAF CCc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745396 WBZQRHLBMCKXTN-YEJXKQKISA-N 419.338 4.929 0 1 HJAF Cc1ccccc1-n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587762171 DPZCTXODPGGSRT-SPLOXXLWSA-N 414.322 4.880 0 1 HJAF C[C@H]1CCN(Cc2ccccc2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587767729 KIXQPCMJZCNLBN-DMPWYTOCSA-N 417.366 4.860 0 1 HJAF CCOC(=O)c1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794787 GQJLQCNPJJAUCN-MPBGBICISA-N 406.295 4.563 0 1 HJAF Cc1nc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)no1 587798861 WWIYDTATUWQCOF-YPMLDQLKSA-N 402.267 4.570 0 1 HJAF CCOc1cc2c(c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@H](C)C2 587835371 WCOSUWQKGMGDDD-HTGLOVNISA-N 420.322 4.934 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C)cc1 587868446 LMCKLDUQKCCDFU-HOTGVXAUSA-N 401.388 4.725 0 1 HJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCc1cccc(C(F)(F)F)c1 587870540 CAUFNGVDXUKWIU-UHFFFAOYSA-N 407.367 4.865 0 1 HJAF COc1ccc2c(c1)[C@H](c1cnc3cc(C)c(Br)cn13)N(C(C)C)CC2 962089500 KDHQLHFYXCRYSJ-OAQYLSRUSA-N 414.347 4.770 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]c3c2ccc2ccccc23)N1 962972535 JGKVKOFKWVOESD-LAUBAEHRSA-N 412.823 4.941 0 1 HJAF O=C1c2ccccc2[C@@]2(NCCc3ccc(O)cc32)[C@H]1c1ccc(Br)cc1 963352957 NURKEPRHVBUXKI-GMAHTHKFSA-N 420.306 4.524 0 1 HJAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccc(C)cn12 1857583083 FJXWKLLMSKDONI-LBPRGKRZSA-N 419.312 4.730 0 1 HJAF COc1cc2c(cc1Br)CC[C@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857590661 QPIBFFXOJGPEDG-GHTZIAJQSA-N 401.348 4.910 0 1 HJAF COc1cc(O)c(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)c(OC)c1OC 1857653838 FGSZXBXMBIJRCX-UHFFFAOYSA-N 402.450 4.938 0 1 HJAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OCC)cc1 4206802 BULLTWBZXXGYMK-PZJWPPBQSA-N 400.906 4.747 0 1 HJAF CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 6365238 MVPCJBDHTUCOBT-RTBURBONSA-N 413.489 4.548 0 1 HJAF in-vitro CC[C@H]1CN(Cc2ccncc2)CC[C@H]1CC(=O)NCc1cccc2ccccc12 8254466 YWSZHHXMKZYLOY-GMAHTHKFSA-N 401.554 4.789 0 1 HJAF biogenic CCC[C@@H](c1ccccc1N1CCCCC1)N(C)C(=O)Cc1ccc(C(=O)O)cc1 27562593 FUZDAFJEXALJNR-QFIPXVFZSA-N 408.542 4.917 0 1 HJAF C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 40896043 HJKBNNIZQHDEIT-NKPLSRDGSA-N 414.593 4.818 0 1 HJAF COc1ccc2[nH]cc(CN3[C@H]4CC[C@@H]3CC(O)(c3ccc(SC)cc3)C4)c2c1 40957081 KNKGKWINGHKSAD-QRQCMCJISA-N 408.567 4.913 0 1 HJAF COc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21 45349178 JADOBQQJQCQWCR-UHFFFAOYSA-N 405.841 4.509 0 1 HJAF COc1ccc2nc(-c3ccccc3)n(Cc3cc(OC)c(OC)c(OC)c3)c2c1 95552798 VBBJJCOVGAAISY-UHFFFAOYSA-N 404.466 4.786 0 1 HJAF COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc1 104095474 MUBYFOXTPMOXDQ-FQEVSTJZSA-N 411.498 4.869 0 1 HJAF C[C@H](CC(=O)Nc1c(Cl)ccc2nc(N3CC[C@H](N)C3)ccc12)c1ccccc1 136058201 QBBJXWLPTPKFRD-WBVHZDCISA-N 408.933 4.558 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)cc2[nH]1 586935107 FSBIUWPOQRCMFB-INIZCTEOSA-N 423.991 4.606 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3ccc(F)c(Br)c3[nH]2)cc1 586971519 YNQUONCZGHHAFS-UHFFFAOYSA-N 422.323 4.687 0 1 HJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(C3)C(=O)Nc2ccccc21 586989649 NVHGAKQNRJQULS-HHHXNRCGSA-N 418.452 4.531 0 1 HJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587122230 UDVPNYKFRFVTRH-UHFFFAOYSA-N 401.344 4.756 0 1 HJAF Fc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1Br 587127436 UVNUIADKPBXIIQ-UHFFFAOYSA-N 415.144 4.906 0 1 HJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Br)nc3[nH]2)c1 587159497 PMJBHYYIOBBKAM-UHFFFAOYSA-N 408.234 4.865 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 587352104 LSVNEBYHPHKWOS-GFMPLVLUSA-N 418.420 4.506 0 1 HJAF COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1O 587353080 QEOCBYJSQJSWQI-ZCYQVOJMSA-N 422.452 4.996 0 1 HJAF CCc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(S)n1 587375179 LIQASXSQYMARDV-NFBKMPQASA-N 424.497 4.755 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1c(N)sc3c1CC[C@H](C)C3)O2 587413654 IGVGDQADEOAOMU-DAOPMYJZSA-N 408.523 4.848 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)C(F)(F)F)cc1)CC2=O 587460458 IQAHYRIZDUMMLB-HXUWFJFHSA-N 407.388 4.726 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCCCC(=O)O)(c1ccc(F)cc1)CC2=O 587466486 LMHUATMTDACTQI-HSZRJFAPSA-N 400.446 4.990 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(OCC)c(F)c1)CC2=O 587469014 ZRUDFTKNKDXMCH-OAQYLSRUSA-N 410.445 4.979 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3-c1ccc(F)cc1)CC2=O 587472480 RJWSXNQXERAVAU-XMMPIXPASA-N 406.457 4.867 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](C1(c3ccccc3)CCC3(CC1)OCCO3)CC2=O 587483725 GDNRKPWTXSJNTA-QHCPKHFHSA-N 422.521 4.934 0 1 HJAF Cc1cc(Cl)c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 587550478 BHNWDCCVDUUGEN-GHTZIAJQSA-N 406.825 4.705 0 1 HJAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC 587598740 UYNYUNDYZIIOJV-URXFXBBRSA-N 406.434 4.893 0 1 HJAF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2c(C(=O)O)cccc12 587637035 AKBKQYQADNKCRN-UHFFFAOYSA-N 406.207 4.611 0 1 HJAF Cc1nc2ccc(Cl)cn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587703253 GLEWYKOBBUXXRP-XLFHBGCDSA-N 408.702 4.821 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccc3F)CC2)N1 587724981 AYHTWUYJQPTZJX-ZDUSSCGKSA-N 407.302 4.757 0 1 HJAF CCCn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759806 VPWFRKWZHXTAGV-BLVKFPJESA-N 402.311 4.972 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2cccn2)N1 587761735 VIVSMZJMVFWVOI-RNODOKPDSA-N 400.295 4.572 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3)c2)N1 587764183 OTTJDNIJPJPXFK-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=C3C2=Nc2ccccc2N3C)N1 587767257 IPVACTQVPJJIDR-XMHCIUCPSA-N 424.317 4.994 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cnccn3)cc2)N1 587775247 QFDGNIWLYYOBGR-MPBGBICISA-N 414.278 4.794 0 1 HJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794010 FZTTVKPUBBCIAK-UHYGZKCKSA-N 400.332 4.563 0 1 HJAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587799370 RZXNSJKWHTZFGG-DUXSXAKTSA-N 420.322 4.586 0 1 HJAF Cc1ccc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587837993 LZLKWFIWVLILGX-JEOXALJRSA-N 402.263 4.627 0 1 HJAF COc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2c1 587854144 BOEMDANTLRUGKW-XYZCENFISA-N 407.308 4.830 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(N)sc3c2CCC3)(C2CC2)N1 587855520 GLZIDKVKPQEDEH-SBKAZYGRSA-N 421.379 4.908 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(Cl)cc1 587860850 GVRGVVYMMFYEEV-UHFFFAOYSA-N 410.779 4.950 0 1 HJAF COc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c(C)cc2c1 587867855 CSXHWSUIBQMPJP-UHFFFAOYSA-N 414.387 4.827 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(Cl)cc1 587870111 ZKOHSMIVGABFBQ-UHFFFAOYSA-N 412.824 4.871 0 1 HJAF COCc1cc([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)ccc1OC 961611004 CMRUAKQWHQGGPY-HXUWFJFHSA-N 402.332 4.546 0 1 HJAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3ccccc3)CC1(C)C)N(C)[C@@H](C)C2 962637943 OJZGSBYOWLKWQH-SIBVEZHUSA-N 408.586 4.708 0 1 HJAF CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12c1cccc(Br)c1CCN2C 963290724 XUJNWAFHWPXCLA-BTYIYWSLSA-N 423.395 4.799 0 1 HJAF Clc1cc(-c2ccnc(N3CCNCC3)c2)cc(Cl)c1OCc1nccs1 1772601118 IFBIOHRVJAMCGL-UHFFFAOYSA-N 421.353 4.501 0 1 HJAF COc1ccc(CN=c2c3c([nH]c4ccccc24)CN(C(C)(C)C)C3=O)cc1Cl 1772617341 KLQVWLGNTDIVHJ-UHFFFAOYSA-N 409.917 4.685 0 1 HJAF Cc1cc(C)c(CN2CCc3ccc(-c4c(C)noc4C)c(Cl)c3C2=O)c(O)n1 1772633719 UCEYNFUNNLMVBU-UHFFFAOYSA-N 411.889 4.528 0 1 HJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC[C@H](C)O)cc21 1857533962 MURLQAMQQOSRGU-IBGZPJMESA-N 400.522 4.654 0 1 HJAF c1ccc(Oc2ccccc2CCn2cnc(-c3cc(-c4cnn[nH]4)ccn3)c2)cc1 1857771474 BQEFHNXDQSRGAO-UHFFFAOYSA-N 408.465 4.765 0 1 HJAF CCO[C@H]1c2c(OC)c(OC)cc(OC)c2-c2ccc3cc4c(cc3c2N1C)OCO4 2356537915 LAOZQGDLCLVXDY-DEOSSOPVSA-N 423.465 4.746 0 1 HJAF CC(C)(C)OC(=O)Nc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 36387562 LPYYCGYJLBDJRO-INIZCTEOSA-N 422.522 4.941 0 3 HJAF CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc(F)cc(F)c3)ccc21 201456241 AETOSFPAWLKICS-UHFFFAOYSA-N 408.404 4.888 0 3 HJAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2F)c(OC)c1 777240 FLDHQDQFDOICEE-UHFFFAOYSA-N 412.461 4.725 0 1 HJAF C[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O)C(=O)O 14976900 XMIXAXLPZCFFCG-PPXWJDNZSA-N 406.607 4.724 0 1 HJAF CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCN1CC(=O)c1ccccc1 26817151 HHNRMPBROJYPPT-NOZWXLBKSA-N 404.554 4.578 0 1 HJAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cnccn1 28390602 NFXAWQDTYKJJTD-UHFFFAOYSA-N 420.247 4.959 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1 29319873 BLNRZUDDPXKIEA-JOCHJYFZSA-N 418.493 4.783 0 1 HJAF N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(Cl)c(Cl)c1 29415184 ACACAHGWQLYDPO-UHFFFAOYSA-N 405.116 4.961 0 1 HJAF CC1=C(CCN(C)C)c2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2C1 40404576 NCXJCTGPMJFTES-UHFFFAOYSA-N 406.551 4.922 0 1 HJAF Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)CC2)c1 40565217 VGXNGPGYTJPKHU-UHFFFAOYSA-N 410.300 4.616 0 1 HJAF Cc1ccc2cc(-c3[nH]nc4ccc(NS(=O)(=O)c5cccc(F)c5)cc34)[nH]c2c1 66138503 WQDGGGUMBKOFQQ-UHFFFAOYSA-N 420.469 4.960 0 1 HJAF O[C@@H](c1ccc(Cl)cc1)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 82084129 JWDLOJLEOMROCV-ZDUSSCGKSA-N 401.797 4.915 0 1 HJAF Cc1cccc(-c2nc(N3CCOCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 82173277 HJSCUDCGRJKWBR-UHFFFAOYSA-N 412.493 4.919 0 1 HJAF CC[C@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3cccc(F)c3)ncnc21 82181477 YIHABMIUVPICSM-HNNXBMFYSA-N 405.477 4.996 0 1 HJAF O=c1cc(COc2ccccc2I)c2ccc(Cl)cc2o1 103264192 BZORZZRGTDHFPR-UHFFFAOYSA-N 412.610 4.630 0 1 HJAF Oc1cccc([C@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 141618967 RAEUXCRVYZPPCZ-FTJBHMTQSA-N 406.570 4.929 0 1 HJAF CCNC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(n5ccnc5)[C@@]4(C)CC[C@@H]32)C1 141909051 LGQIJATXVTVKJF-HVCBDKPISA-N 408.590 4.984 0 1 HJAF CCCCSC(=O)c1cc2cc(Br)c(Br)cc2oc1=O 169326178 MOHCIUDRRSMQBI-UHFFFAOYSA-N 420.122 4.992 0 1 HJAF C[C@H]1CC2=C(C1=O)[C@@H](c1ccc(C#N)cc1)NC(=O)N2c1cccc(C(F)(F)F)c1 218638620 XVAKYHYZPKKXPJ-HXPMCKFVSA-N 411.383 4.711 0 1 HJAF CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 299875146 CNVZMCFLYWWKLS-ICSRJNTNSA-N 406.578 4.650 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c(F)c1Nc1ccccc1 587133624 WRADYUPJUGPZGG-UHFFFAOYSA-N 424.407 4.629 0 1 HJAF COC(=O)c1cc2[nH]c(-c3ccccc3Nc3ccccc3OC)nc2cc1OC 587240687 OLUBBIRRXURPEN-UHFFFAOYSA-N 403.438 4.777 0 1 HJAF C[C@@]1(c2cccc(N3CCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342356 DKWYSYHRMBILAU-ZCYQVOJMSA-N 417.436 4.542 0 1 HJAF C[C@@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345064 IIBIERAIGKBTKI-VWNXMTODSA-N 403.409 4.993 0 1 HJAF CCC[C@]1([C@H](C)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349888 QPYNOWFKNOBXGB-HCVAFPHWSA-N 400.446 4.628 0 1 HJAF CCNC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1F 587386154 SMGLQZCFAIJTRN-QHCPKHFHSA-N 418.468 4.840 0 1 HJAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587424223 YAXGSIOQRHVMLQ-AVRDEDQJSA-N 411.379 4.800 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c3oc(C(=O)OC)cc13)CC2=O 587483026 QKADESOUJWOJPC-LJQANCHMSA-N 410.422 4.593 0 1 HJAF COC(=O)c1cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc(OC)c2o1 587534674 XEMHFXUSCUMCFU-FQEVSTJZSA-N 406.434 4.813 0 1 HJAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC 587599414 XGYOALATBFRVBS-RDPSFJRHSA-N 406.434 4.893 0 1 HJAF C/C(=C\[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587613095 NLFBOBUKKMYABL-QWDFLICISA-N 407.491 4.776 0 1 HJAF Cc1ccc(C)c(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655674 DZXLPNYBEBQRHV-UHFFFAOYSA-N 420.415 4.678 0 1 HJAF O=C(CSc1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659166 YLZZHAGFOWZMFZ-UHFFFAOYSA-N 408.429 4.774 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2C(F)(F)F)N1 587712073 NNRRJLPTEIMCCZ-PWJLMRLQSA-N 404.201 4.936 0 1 HJAF Cc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587714543 GEAKKYVEUMFRRQ-VFZGTOFNSA-N 401.226 4.517 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2CCCCCC2)N1 587749145 NGEMFBRYMKBDGW-RBZFPXEDSA-N 411.359 4.567 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N[C@H](C)c2ccccc2)N1 587758001 WDLLTAGBZZBNKX-LKBUQDJMSA-N 419.338 4.605 0 1 HJAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2cnn(C)c2)c1 587758799 JMWSCUNHVJIXDD-YEJXKQKISA-N 414.322 4.921 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cnccn2)N1 587773086 HXGSJIBVTREFOY-MPBGBICISA-N 414.278 4.794 0 1 HJAF CC(=O)c1cc(C(C)=O)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813457 CXZOMCAICNXPLG-WSVYEEACSA-N 418.306 4.791 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cccc(C)c1C 587862426 NNPXZWNXSJTFSE-UHFFFAOYSA-N 404.388 4.914 0 1 HJAF CN1CCc2c(Br)cccc2[C@@]1(C)CSc1ccccc1C(=O)O 963289972 SOBKTJOZJNGZCI-LJQANCHMSA-N 406.345 4.643 0 1 HJAF Cc1c(O)ccc2c1[C@H](c1ccc3c(c1)Sc1ccccc1N3C)N[C@H](C(=O)O)C2 963473798 TYIBICGWZKSBKL-HJPURHCSSA-N 418.518 4.621 0 1 HJAF C[C@H]1c2ccncc2N(Cc2ccccc2F)C[C@@H](C)N1C(=O)NCc1ccccc1 1772576404 SIFUDDZFIOEDIJ-MOPGFXCFSA-N 418.516 4.902 0 1 HJAF Cc1ccc2nc(N3CCOCC3)c(-c3noc(-c4ccc(Cl)cc4)n3)cc2c1 1772633262 NKZTYNBLYFLUHM-UHFFFAOYSA-N 406.873 4.750 0 1 HJAF Cc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 1622951 DWFLMLUPDGUBBY-UHFFFAOYSA-N 404.433 4.994 0 1 HJAF COc1ccc(N2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=O)cc1 2125487 XHEGKZPYJYUHRI-ISKFKSNPSA-N 423.472 4.659 0 1 HJAF biogenic CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCc4cccnc4)nc32)cc1 5091896 OFOZEDBMDPBGKO-UHFFFAOYSA-N 412.565 4.754 0 1 HJAF O=C1NCN(c2cccc(Cl)c2)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2 26398664 UGFJOKRDBOWDIA-JOCHJYFZSA-N 417.940 4.519 0 1 HJAF CN1CCc2cccc3c2[C@H]1Cc1c(Br)cc(Br)c(O)c1-3 27656783 RAIOTDNIRNEUDH-CQSZACIVSA-N 409.121 4.669 0 1 HJAF COc1ccc(N2C(/C=C/c3cccc(OC)c3O)=Nc3ccccc3[C@@H]2O)cc1 40862328 JOXVMLYZPMYAQG-RLMNYEENSA-N 402.450 4.664 0 1 HJAF CC(C)c1noc(C2CCN([C@@H](C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1 40863386 YXWWRPHSVBRJJH-AVRDEDQJSA-N 424.589 4.809 0 1 HJAF CC[C@H](C)[C@H](Nc1nc(-c2cccc3ccccc23)cs1)C(=O)NCCCOC 82195253 DGHMUQTWROTCKI-KKSFZXQISA-N 411.571 4.943 0 1 HJAF CC(=O)C[C@H]1C(=O)[C@@H]2COC(C)(C)[C@@H]3CC[C@@](C)(C[C@H]23)[C@H]1/C=C/OC(=O)C=C(C)C 95911272 FXXKPLFBIHAEOU-FYXICUFOSA-N 416.558 4.651 0 1 HJAF biogenic,in-vitro NC(=O)c1cccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)c1 96168210 OFIUXDQXUCFNPP-UHFFFAOYSA-N 421.460 4.537 0 1 HJAF CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1 100705268 MCAYBAQSXUOUOU-HNNXBMFYSA-N 421.522 4.891 0 1 HJAF COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1 100705648 RFWQOZUWQBMPAJ-NSHDSACASA-N 413.886 4.538 0 1 HJAF CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc1OCC1CC1 116231819 DVBLSHILALNPSL-UHFFFAOYSA-N 403.862 4.786 0 1 HJAF COc1cc(Nc2cncc(Oc3ccc4c(c3)[C@@H](N=O)CC4)n2)cc(OC)c1OC 169686086 UEFMRHZQNCBFDF-KRWDZBQOSA-N 422.441 4.792 0 1 HJAF CCCc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]2c2ccccc2OC)cc1 169694916 ODTPWOCZVCYFMI-LEWJYISDSA-N 407.510 4.536 0 1 HJAF COc1cc(N[C@@H](C(=O)c2c[nH]c3cccc(CO)c23)c2ccccc2)cc(OC)c1 218365485 QVPWEWJQBFECPP-XMMPIXPASA-N 416.477 4.714 0 1 HJAF CCCOc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br 587020941 DGGXDJCRNXUBTM-UHFFFAOYSA-N 418.320 4.638 0 1 HJAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F 587024554 BHWVKQJWUSTHPI-ZMYBRWDISA-N 413.518 4.847 0 1 HJAF CCOc1n[nH]c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1Cl 587065756 YLOSDFKVHOBGGK-UHFFFAOYSA-N 409.593 4.786 0 1 HJAF Cc1ccc2c3c(cc(-c4cccc(N5CCNC5=O)c4)nc13)-c1ccccc1C2=O 587099040 YTPLHHKVDPUGKQ-UHFFFAOYSA-N 405.457 4.951 0 1 HJAF O=C1CCc2cc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3cc2N1 587121554 CDPMLONHSBTVQM-UHFFFAOYSA-N 407.417 4.780 0 1 HJAF COCOc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345945 AGMWZSVYRJQDGL-UPVQGACJSA-N 408.425 4.788 0 1 HJAF C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359425 RRGZQXMDZGNDJU-JHMXWDHMSA-N 420.436 4.583 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(C3OCCO3)c1Cl)CC2=O 587466094 LNLQRLNBYPASJJ-KRWDZBQOSA-N 406.837 4.889 0 1 HJAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)CC2=O 587468269 DBRXUVDHWZQUMN-AVYPCKFXSA-N 403.519 4.762 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(C=O)n(C)c1)CC2=O 587470540 KVHULLZWWIIQJK-VWLOTQADSA-N 403.478 4.713 0 1 HJAF COCOc1ccc([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516775 ZMLPBRLQWYLHSQ-SANMLTNESA-N 415.489 4.852 0 1 HJAF CN(C)C(=O)Sc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587609858 AJPXINNGYXNZFQ-SIKLNZKXSA-N 421.474 4.869 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2occc2Br)N1 587680853 QREVRUWEHWQKNT-AYVTZFPOSA-N 403.089 4.741 0 1 HJAF COC(=O)c1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587698831 JVDURHRABXPSDP-XLFHBGCDSA-N 412.686 4.652 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C)c(OCC)c3)nc2c1 587779013 WQCJQQIKWHTTSV-UHFFFAOYSA-N 403.276 4.876 0 1 HJAF CSc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587846318 QOCPMJVHBAPEIQ-APBUJDDRSA-N 424.335 4.705 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(CCO)cc1 587860267 PGOVJVHWRPGDAP-UHFFFAOYSA-N 420.296 4.871 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587970008 XKUDPOMRJGJVKI-SDNWHVSQSA-N 405.523 4.965 0 1 HJAF Cc1ccccc1C(=O)C[C@]1(c2ccccc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962894190 HVCJCTAGAQMECP-JYFHCDHNSA-N 417.480 4.558 0 1 HJAF COc1cccc2cc3c(nc12)[C@](c1ccc(C)o1)(C(C)(C)Br)NCC3 963039090 TVKZHQACJUQNHU-OAQYLSRUSA-N 415.331 4.708 0 1 HJAF CC(C)(NS(=O)(=O)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F)C1CC1 1772593966 XIMWVTODMNEYPM-DCGLDWPTSA-N 416.509 4.773 0 1 HJAF COC(=O)c1ccc(-c2cc(=O)n3nc(C4CC4)c(-c4ccc(Cl)cc4)c3[nH]2)cc1 1857604718 BCIWJDRVWBWOIW-UHFFFAOYSA-N 419.868 4.674 0 1 HJAF COc1ccc(CN2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)c2ccccc12 61903170 SSSIWFKFJACEHB-SANMLTNESA-N 411.505 5.000 0 3 HJAF CC(C)C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O 61921307 RTZQCWPMNLFXLT-HXUWFJFHSA-N 419.431 4.648 0 3 HJAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774710 ZVVCGXICEAURMO-KRWDZBQOSA-N 422.868 4.588 0 1 HJAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccc(Cl)cc1)O2 26182097 KVKWTXCWMNRXJC-NRFANRHFSA-N 415.898 4.869 0 1 HJAF O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 28959005 BJYIHFRHJDQJJX-QHCPKHFHSA-N 417.534 4.574 0 1 HJAF O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F 29132150 WBFWOCOUPSZWOW-QFIPXVFZSA-N 413.876 4.710 0 1 HJAF COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1OC 45321489 OJDMLTFNQRISEI-PKTZIBPZSA-N 417.461 4.582 0 1 HJAF O=C(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1 71330152 ATUFIYXNOZVHTF-UHFFFAOYSA-N 410.880 4.653 0 1 HJAF CN(Cc1cn([C@H]2CCCC[C@@H]2OC(=O)c2ccccc2)nn1)CC1CCCCC1 82151187 YHTVARXHWXCZHD-GOTSBHOMSA-N 410.562 4.631 0 1 HJAF CCOc1cc(CC)c(Br)cc1C(=O)Nc1cccc2c1CCN(C)C2 84703898 PJQDNMPHSITJKL-UHFFFAOYSA-N 417.347 4.650 0 1 HJAF CC(C)c1cc(=O)n2c3ccccc3n(Cc3cc(=O)oc4ccc(Cl)cc34)c2n1 96934502 YYYWVIGUVQCHTE-UHFFFAOYSA-N 419.868 4.581 0 1 HJAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1-c1ccccc1C 144513775 LAWAJOXKUDAASB-FQEVSTJZSA-N 424.884 4.665 0 1 HJAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)c2ccccc21 199089665 SVGHOSFUMGIMKK-UVOAEELBSA-N 411.343 4.543 0 1 HJAF O=c1oc2ccccc2c2c1[C@H](c1cc(Br)ccc1O)SCCN2 199678386 PKAMBSDZGKOHHF-KRWDZBQOSA-N 404.285 4.509 0 1 HJAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(C4CC4)nc3)c(F)c2n1 221620128 SWRQYCULPAMFSV-UHFFFAOYSA-N 416.431 4.537 0 1 HJAF O=C(O)c1cccnc1SCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586966349 CAKLDLFWWHKQTE-UHFFFAOYSA-N 403.769 4.500 0 1 HJAF CCCC(Br)(CCC)c1nc2cc(I)cnc2[nH]1 586971208 OXDVRCSOZMMFPH-UHFFFAOYSA-N 422.108 4.753 0 1 HJAF COc1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Br 586975461 CSUGUSSGPQPISY-XQRVVYSFSA-N 413.250 4.829 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587026688 MCHLOMLPHMHJOI-VMDGZTHMSA-N 401.482 4.978 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)c1cccc(Cl)c1 587069696 FAISBYATUFFHJF-INIZCTEOSA-N 415.877 4.723 0 1 HJAF COc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(Cl)n1 587083694 GRXRVWHIDFGRPI-UHFFFAOYSA-N 422.588 4.948 0 1 HJAF Cc1ccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1 587218621 KEHMOTZOFBDKLC-IBGZPJMESA-N 423.513 4.961 0 1 HJAF Cc1cc(Cl)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587327818 HRMGYOQTHNQRMC-WMZHIEFXSA-N 423.827 4.700 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc4c(c32)CCO4)[C@H]1c1ccc(F)cc1 587361562 ZJJYEJKLXNXZIQ-ZCYQVOJMSA-N 402.421 4.667 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1c(F)ccc(Br)c1Cl)[C@@H](C2)C3=O 587424582 PJEQZWFXNHWZAN-YPMLDQLKSA-N 411.654 4.913 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Br)cc1 587548180 STVAPDCNQODBGR-RTBURBONSA-N 411.251 4.728 0 1 HJAF Nc1ccc2c(c1)-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577300 JZDHLXJNTONOMH-ZEQKJWHPSA-N 407.425 4.860 0 1 HJAF CCOc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)O[C@@H](C)C2 587614548 CITJFGBENLQXEZ-ATXWFJBSSA-N 418.445 4.817 0 1 HJAF CC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587696209 DMFKITUVNPNSLQ-JEOXALJRSA-N 410.714 4.999 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2c(Cl)ncnc2Cl)N1 587704570 JKASGMRRMPOEMQ-UHLUBPPHSA-N 405.098 4.503 0 1 HJAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587739499 HLIVHLHQYZIPLJ-LRTDBIEQSA-N 421.354 4.672 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825096 FPTPVCVSZNLIGJ-MYCJXMEPSA-N 408.355 4.669 0 1 HJAF C[C@H]1CCc2cc(-c3ncnc4ccsc34)ccc2N1C(=O)c1ccc(O)cc1O 653671922 DXULLUCLDXLAEE-ZDUSSCGKSA-N 417.490 4.751 0 1 HJAF C[C@H]1CCc2cc(-c3cc4occc4cn3)ccc2N1C(=O)c1ccc(O)cc1O 653680387 GAEIKTXZNLANQY-AWEZNQCLSA-N 400.434 4.888 0 1 HJAF CC(=O)c1ccc2c(c1)[C@@H](c1c(C)cccc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962627436 GCQDADLUQYCQNT-UNMCSNQZSA-N 423.509 4.842 0 1 HJAF Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2F)ccn1 1772645868 STHPNWUOZLNVMR-UHFFFAOYSA-N 423.447 4.733 0 1 HJAF CCC[C@H]1CCc2cc(OC)c(OC)cc2N1c1cc(OC)c(OC)c(OC)c1 1857647878 ILKFDWQXXJIDHO-INIZCTEOSA-N 401.503 4.983 0 1 HJAF COc1cccc(-c2cc3c(Nc4ccc(N5CCN(C)CC5)cc4)nccc3[nH]2)c1 82082561 PSDNZGULYLTLQN-UHFFFAOYSA-N 413.525 4.734 0 3 HJAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)sc2n1 753919 CCUNMOBWKQNNNC-GASCZTMLSA-N 400.592 4.663 0 1 HJAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 2724575 IDLYTKLRHQFTMZ-JOCHJYFZSA-N 406.869 4.533 0 1 HJAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncoc3C)cc2)c1C 13809633 QWBGYBQVMDWOBH-UHFFFAOYSA-N 409.467 4.723 0 1 HJAF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 26568479 RCXGNJNDQYAWDC-BRJOUWEPSA-N 422.606 4.890 0 1 HJAF CC(C)(Oc1ccccc1)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242256 PTUXZXRJIRNUSY-BYQHRNLCSA-N 411.498 4.781 0 1 HJAF COc1ccc(OC)c(CNC[C@H](O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 45319699 DOWFMNJGYMKZGR-INIZCTEOSA-N 423.353 4.565 0 1 HJAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(F)(F)F)cc3)C[C@H]1C=N2 49803899 LHGGESWUVGPBPP-HNNXBMFYSA-N 402.372 4.694 0 1 HJAF CC(=O)Nc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 72175174 FSJQYEZRANJSKO-KRWDZBQOSA-N 403.935 4.887 0 1 HJAF CCONC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 139223259 UKVWGCUKJNZWPI-JLHYYAGUSA-N 416.506 4.961 0 1 HJAF COc1cc(-c2ccc(C)cc2)ccc1[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1 141328592 RMQLXXLULAKNOG-ACRUOGEOSA-N 407.535 4.685 0 1 HJAF COc1ccc(C)cc1-c1cc([C@H](CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 219451149 BIKTYDFBMSQETH-KRWDZBQOSA-N 420.387 4.987 0 1 HJAF Cc1nc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)c(-c2ccccc2)s1 473162844 RLTIQKDEPYFLJJ-QYZOEREBSA-N 405.523 4.586 0 1 HJAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccc(C)c2[nH]1 586934982 FEYCOHWYUSZGKX-KRWDZBQOSA-N 417.600 4.569 0 1 HJAF C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586963220 YKJUUYCKDNZMIA-SSDOTTSWSA-N 403.227 4.988 0 1 HJAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F 587024549 BHWVKQJWUSTHPI-CCKFTAQKSA-N 413.518 4.847 0 1 HJAF CC(=O)Nc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587104936 XKCLABSNYDDILM-UHFFFAOYSA-N 422.440 4.699 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587190647 JADWDKCVLCESNQ-FQEVSTJZSA-N 421.476 4.844 0 1 HJAF COc1ccc2c(c1)cc([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C 587576606 JSNULRCMWUNGPT-ZJSXRUAMSA-N 401.418 4.595 0 1 HJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1Cl 587696917 VACLDAHJAQMMNP-HUTHGQBESA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)F)N1 587722790 SXEAUWHXPRZZNW-XYZCENFISA-N 418.278 4.917 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1 587729891 DUZIPTJBQZCIEZ-OVWNDWIMSA-N 404.258 4.741 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2F)N1 587737882 HYGHBKUCAOGZST-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1 587768538 DGUPBYIUGQZRGE-LAJNKCICSA-N 413.290 4.979 0 1 HJAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587792351 IITBPNSWSFEQDY-MPBGBICISA-N 400.295 4.910 0 1 HJAF COCCCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798833 ZOFYOSRHJFWXFC-XCLFUZPHSA-N 408.311 4.627 0 1 HJAF O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)n1nc2cc1Oc1ccc(F)cc1-2 587873451 BSWCFGZFZYPXTO-UHFFFAOYSA-N 414.318 4.688 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCC(=O)O)c1cccc(Cl)c1Cl 963614065 WCDLOIKMCXLMRE-LAJNKCICSA-N 424.324 4.653 0 1 HJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C1(c2ccccc2Cl)CCOCC1 963614665 YGTZBXXTMMESAW-QRQCRPRQSA-N 401.934 4.681 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)C21C[C@H]2CSC[C@@H]2C1 963915345 MEIOESFWXBSIKD-OKZBNKHCSA-N 417.571 4.600 0 1 HJAF O=C(Nc1ccnc(F)c1)C1=NN(Cc2ccc(Cl)cc2Cl)[C@@H]2CCCC[C@H]12 1772620178 GMKWRLUSDILWKC-DOTOQJQBSA-N 421.303 4.897 0 1 HJAF CCc1nn(Cc2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)c(CC)c1CC(=O)O 1772644924 LBHHLIPTXISHIL-UHFFFAOYSA-N 424.451 4.505 0 1 HJAF O=C(c1cccc2ncccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 1772649623 IEVLPXBKOPAHHL-NRFANRHFSA-N 419.431 4.712 0 1 HJAF Clc1ccc([C@H]2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1 1857592834 STRWOISKNSBYMP-LJQANCHMSA-N 402.329 4.874 0 1 HJAF COc1cc(O)c(-c2cc(-c3ccccc3)nn2-c2ccccc2)c(OC)c1OC 1857759276 WTDNFXMNQCPHJP-UHFFFAOYSA-N 402.450 4.938 0 1 HJAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC[C@H]12)C(=O)O[C@@]4(O)C[C@]3(C)O 2356565769 KNMOPFLBPXTWRO-XZCXHARUSA-N 400.559 4.530 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C]3C=CN(CC(=O)O)C=C3CC[C@H]12 2356812884 YKXZFFKYOZDVNS-VPTPGNQDSA-N 414.566 4.945 0 1 HJAF COC(=O)Cc1ccc(O[C@@]2(C)CCN(Cc3ccc(-c4ccccn4)cc3)C2)cc1 61895596 APUXFZCGAFMSMN-SANMLTNESA-N 416.521 4.508 0 3 HJAF Cc1cccc(CNc2ncnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)c1 4257433 AKJMINLXQHAFPX-UHFFFAOYSA-N 418.522 4.589 0 1 HJAF COc1cccc(S(=O)(=O)Nc2onc(C)c2C)c1-c1ccc(CC(C)C)cc1 13782460 WMSWZMPVHFODLW-UHFFFAOYSA-N 414.527 4.966 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3F)CC[C@@H]12 26965297 NMPUFHPNLBRJGC-ZGOYAFEQSA-N 410.533 4.678 0 1 HJAF COC1(c2cc(Sc3ccc4c(c3)CCC(=O)N4C)cc(F)c2C)CCOCC1 27310597 CTCDRIMDARKRSO-UHFFFAOYSA-N 415.530 4.846 0 1 HJAF Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1 29314660 BMJSQIFEHACDIX-HXUWFJFHSA-N 422.506 4.655 0 1 HJAF CCCCn1nccc1[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC 38359158 BMEKUVWEUPJPMW-KRWDZBQOSA-N 404.001 4.854 0 1 HJAF CC(C)c1ccc(C(=O)C[C@H](C(=O)Nc2ccccc2)N2CCOCC2)c(C(C)C)c1 45373314 FYQINMHHASKUOX-XMMPIXPASA-N 422.569 4.846 0 1 HJAF COC(=O)c1oc2ccccc2c1NC(=O)CSc1cccc(Br)c1 64539286 WKJUHGKZOXNHBE-UHFFFAOYSA-N 420.284 4.713 0 1 HJAF COc1ccccc1N1CCN([C@@H](c2ccc(OC(C)C)cc2)c2cccnc2)CC1 72103435 IVOWWTOCEBDHAZ-SANMLTNESA-N 417.553 4.789 0 1 HJAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3cc4ccccc4cn3)CC2)c1 95568243 XBSIVIJQFPONIM-UHFFFAOYSA-N 416.472 4.773 0 1 HJAF C=CC1=C(C)[C@@H]2C[C@@H](O)[C@@H]3[C@](C)(C(=O)O)[C@H](OC(=O)CC(C)C)CC[C@]3(C)[C@H]2CC1 95909944 WPAPOTTYBLXJHT-ZJXCWAOQSA-N 418.574 4.745 0 1 HJAF biogenic,in-vitro Cn1ccc2ccc(CN3CCC(/N=c4\cc(O)oc5ccc(Cl)cc45)CC3)cc21 101055776 LBIYINAQWOZHMS-YYADALCUSA-N 421.928 4.849 0 1 HJAF CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC1 101708134 MYXKPHUMITWZRM-AOHZBQACSA-N 423.553 4.840 0 1 HJAF CN(C)C(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113654982 SPEBRUYKFDLZQY-UHFFFAOYSA-N 410.521 4.708 0 1 HJAF Fc1ccc(NC(=S)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 145957940 YXNYQBSJQVMSRD-UHFFFAOYSA-N 400.910 4.546 0 1 HJAF CC[C@@H]1C(=O)CC[C@@]2(C)C1=NC[C@H]1[C@@H]3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CC[C@@H]12 169714063 QQQFEBCXAWYYGC-HCQOKHEUSA-N 400.607 4.764 0 1 HJAF COc1cc(Cl)ccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1 203886861 CHSZMOPWMMSUOI-FQEVSTJZSA-N 424.884 4.665 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299884253 SSSPUMHMRBAFST-OYNPSCLESA-N 424.944 4.913 0 1 HJAF CCOc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 504148004 DXSWMNINNXBTCY-DHNNRRLOSA-N 411.615 4.677 0 1 HJAF biogenic Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1C 586954561 KEOCVADWYUHAQG-UHFFFAOYSA-N 419.550 4.901 0 1 HJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1 587124226 MOJZEODHBJUUOD-LDWIPMOCSA-N 418.192 4.636 0 1 HJAF COc1ccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)c(F)c2)c(F)c1 587148114 ASNBUOAGTRRBED-UHFFFAOYSA-N 417.213 4.688 0 1 HJAF Fc1cc2c(c(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c1)OCOC2 587171497 NFRPPUCMHITVKE-UHFFFAOYSA-N 402.731 4.711 0 1 HJAF CC[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)n1cc(I)c(C)n1 587184049 BPSVQROTRRZCAR-INIZCTEOSA-N 420.298 4.551 0 1 HJAF Cc1ccc2c(ccc3nc([C@@H](N)CCC(=O)Nc4ccc5ccccc5c4)[nH]c32)n1 587258214 AWZSYWFOEGKJQB-FQEVSTJZSA-N 409.493 4.991 0 1 HJAF CCCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587340986 UXMRBAWFDCMJOB-RDGATRHJSA-N 417.436 4.542 0 1 HJAF CN(C)/C=C\[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377290 RDPLNTGLDFSOSF-WJEHCBQESA-N 409.482 4.923 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1NC(=O)OCC(F)(F)F)O2 587383042 VBOOYQWSPJNPRI-IBGZPJMESA-N 408.376 4.569 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccc4c(c3)OCO4)n1)CC2=O 587497316 VJLJKYCPFQTZCX-LJQANCHMSA-N 409.463 4.903 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc(O)cc32)N1 587833292 MTXBRWYNUPRTKE-YBTHPKLGSA-N 406.295 4.633 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834650 LXFMUHCYHWEQQL-YUNKPMOVSA-N 406.295 4.547 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccccc2C(=O)O)N1 587846764 RMEGRDOXAMMXQY-WYRIXSBYSA-N 424.335 4.828 0 1 HJAF Cc1csc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587850396 DRDBIGLDYNGOHY-QGHHPUGFSA-N 406.324 4.767 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 587953179 HDVNPBSIUDGVSB-INIZCTEOSA-N 423.538 4.935 0 1 HJAF Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729853 KBZNAQXKZUVLPF-XLIONFOSSA-N 424.850 4.538 0 1 HJAF Cc1cccc([C@]2(C3CC3)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963201358 YMTCMKHSTBBHQT-JXFKEZNVSA-N 409.835 4.920 0 1 HJAF CC(=O)O[C@H](C=C(C)CC[C@H](O)[C@]1(C)CCC(=O)O1)CC(C)=CCCc1ccoc1 2356417119 RGTRQKDHOCMNQZ-FIXSFTCYSA-N 418.530 4.663 0 1 HJAF COC(=O)c1[nH]cc2c1[C@@]1(CNc3ccc(C)cc31)c1[nH]c3ccc(Cl)cc3c1-2 2356550034 ASULDJILRFHGPX-QHCPKHFHSA-N 403.869 4.985 0 1 HJAF COC(=O)[C@H](C)[C@@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 2356820688 FNKYMGUMJBGLNY-FZJLEHHRSA-N 418.618 4.877 0 1 HJAF CC(=O)Nc1cc(-c2ccc(N)nc2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 61905362 XURJMRVUVGLNPS-UHFFFAOYSA-N 411.387 4.623 0 3 HJAF CC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1 61927172 OAQYYBBGPJXOJR-UHFFFAOYSA-N 422.847 4.988 0 3 HJAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1ccc(Cl)cc1 199727285 QIEXZVQTPWAOIS-GOSISDBHSA-N 421.349 4.872 0 3 HJAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4207506 ORAPIMIRGJILJP-CTNGQTDRSA-N 412.848 4.523 0 1 HJAF O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@@H](O)CN1CCCCC1 13529148 ABTCTTLEGJUQEQ-QHCPKHFHSA-N 417.549 4.881 0 1 HJAF O=C(NCc1ccccc1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829042 QZWRNVPOJNCYBM-DJAVKIJBSA-N 403.444 4.974 0 1 HJAF Cc1ccc(C(=O)N2CCc3c(n(Cc4ccc(O)cc4)c4ccccc34)C2)c(O)c1 14946251 ZITQQXWDPRWBLK-UHFFFAOYSA-N 412.489 4.608 0 1 HJAF CCCCCNC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26387248 FZSXHRMZIAUGIF-SCXLPSKVSA-N 402.623 4.772 0 1 HJAF COc1ccc2[nH]c(=O)c(-c3cc(C)cc(C)c3)c(OC[C@@H]3CCCN(C)C3)c2c1 26577159 ZTJKDZJNWLALKP-GOSISDBHSA-N 406.526 4.541 0 1 HJAF CCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 33890231 VOWTYFJIZLPBNA-UHFFFAOYSA-N 403.422 4.779 0 1 HJAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1F 36475536 IZZYIOKWGYBVQC-UHFFFAOYSA-N 413.493 4.841 0 1 HJAF CC(C)[C@H](C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)ccn1 40954779 WWSBAAXRYHTMOX-AWEZNQCLSA-N 400.523 4.819 0 1 HJAF O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1 43022350 VWPKIYFLRDRFNX-UHFFFAOYSA-N 422.528 4.789 0 1 HJAF COc1cccc(N2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1 72102882 XBXJRTNBUFJXAZ-UHFFFAOYSA-N 417.431 4.691 0 1 HJAF CCOC(=O)c1c(N)oc2c1c(Sc1cccc(Cl)c1)c(O)c1ncncc12 73222848 FWUSSDJRCKQYKJ-UHFFFAOYSA-N 415.858 4.645 0 1 HJAF C[C@@H](NC(=O)[C@@H](N)C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 96167867 LUNUTDXQTSGSJG-UWJYYQICSA-N 416.458 4.707 0 1 HJAF Cc1ccc2ccc(N3CCC(Oc4ncccc4C4CCOCC4)CC3)nc2c1 96169015 KJYSVZSWBZYLLT-UHFFFAOYSA-N 403.526 4.880 0 1 HJAF O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1 96285740 ZORXTJQDLSFBOA-UHFFFAOYSA-N 423.463 4.794 0 1 HJAF Nc1ccc(-c2ccccc2)cc1NC(=O)CCCCCCNC(=O)c1cccnc1 117588567 RHHVCNXFTABPGD-UHFFFAOYSA-N 416.525 4.650 0 1 HJAF COc1cccc(F)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2nc(C)cs2)c1 167679492 XJIWMKOGXNSCLB-FZKQIMNGSA-N 411.502 4.771 0 1 HJAF CC1CCC(NCc2ccc3c(c2)Cc2c(-c4cccc(CC(=O)O)c4)n[nH]c2-3)CC1 169693386 GBRKWPVMDKJNNN-UHFFFAOYSA-N 415.537 4.943 0 1 HJAF O=C(c1ccc(-c2cccc(Cc3ccc(Cl)c(Cl)c3)c2)cc1)[PH](O)(O)O 169730448 MEDZDUCTYWWKKT-UHFFFAOYSA-N 423.232 4.863 0 1 HJAF CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)[C@@H](O)C/C=C(\C)[C@H]1OC(C)=O 195231776 BEGZWCKKXIZDII-GRHWUEBMSA-N 404.547 4.816 0 1 HJAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253640371 ZVUBOJJCNXGQFS-GPJHCHHRSA-N 412.574 4.869 0 1 HJAF CCCC[C@@H]1CN=C2N(CC[C@H]3C[C@H]4CC[C@H]3C4)[C@H](Cc3ccc(OC)cc3)CN21 253805252 KWTDWBFTETWUMK-ZROJVYTPSA-N 409.618 4.979 0 1 HJAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccs1 299874091 AUYWLUDNTCFJEI-VLVBCPJOSA-N 417.527 4.543 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O 587107466 SGIYREDMPAWVNS-RDTXWAMCSA-N 412.489 4.953 0 1 HJAF CN1CCN(c2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)CC1 587150464 RASKFOAXFNAUKJ-DEOSSOPVSA-N 415.516 4.655 0 1 HJAF Fc1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 587168318 FQKXKPFSLBYXMY-UHFFFAOYSA-N 405.145 4.942 0 1 HJAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 587182595 QTAQETUFMFSBRD-SSDOTTSWSA-N 421.069 4.589 0 1 HJAF Cc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc12 587182740 MAGNIMBRPBINPP-UHFFFAOYSA-N 404.038 4.845 0 1 HJAF COC(=O)c1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587379343 XZQKFOPYHYXQBI-KNQAVFIVSA-N 412.438 4.654 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccc(C)cc4C)c1Cl)[C@@H](C2)C3=O 587418424 AWVPLSZEKLIZRH-AOMKIAJQSA-N 408.885 4.948 0 1 HJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc2O1 587617657 QDNJBRWDETYEQA-YKSBVNFPSA-N 404.418 4.516 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619082 QRMMYEOXEZPEDP-NZQKXSOJSA-N 406.459 4.754 0 1 HJAF Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587682667 UXLGLNJRHXYBAF-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF Cc1cc(Br)ncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587682786 NNCGPHLPOPHWOR-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N1 587701277 CEGLZFJOEUVOPM-JDNHERCYSA-N 410.249 4.885 0 1 HJAF CCCCc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1 587703147 ZCBTVLVECZWMQA-BJOHPYRUSA-N 400.723 4.931 0 1 HJAF COc1c(F)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722918 UKWDXPWLRNOPSZ-NIVTXAMTSA-N 400.238 4.673 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2NC(=O)C(C)(C)C)N1 587746178 YRGOMBARRWESQG-ZMZPIMSZSA-N 420.326 4.591 0 1 HJAF Cc1nc2ccccc2nc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587779962 WZDIYRLZXDYWMD-PRWKNARSSA-N 400.295 4.638 0 1 HJAF COc1cccc(OCc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)c1 587781872 XZVTYTWAVOGTLG-UHFFFAOYSA-N 410.271 4.975 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc3cnc(Cl)nc23)N1 587854508 CGDVKIDOBLFXKB-NZFNHWASSA-N 412.715 4.870 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(F)cc1F 587860694 DEEGBSIWIHAJPJ-UHFFFAOYSA-N 412.314 4.575 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)N(C)[C@@H](C)C2 962629800 PZOVBGTZMGWGJH-YEJXKQKISA-N 407.432 4.697 0 1 HJAF Clc1cc(Cl)cc(CNC2CCN(c3nc4ccc(Cl)nc4[nH]3)CC2)c1 1772650044 LCKYHJKWOWGORA-UHFFFAOYSA-N 410.736 4.677 0 1 HJAF Cc1ccc(CN(Cc2ccc(C(C)C)cc2)c2cccc(S(N)(=O)=O)c2)cc1 1857750315 TWRICNPDVFVGBZ-UHFFFAOYSA-N 408.567 4.973 0 1 HJAF Cc1c(-c2ccccc2)cccc1-c1cc(=O)c2cc(CN3CCNCC3)ccc2o1 1911584700 KJDONGYYQIOXEP-UHFFFAOYSA-N 410.517 4.841 0 1 HJAF CC1=C[C@H](CNS(=O)(=O)C(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356286704 MIVIYWITWWGLSN-XUVXKRRUSA-N 417.619 4.596 0 1 HJAF CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@@H]3CC[C@@](C)(C[C@@H]23)[C@@H]1C=COC(=O)C=C(C)C 2356624530 FXXKPLFBIHAEOU-UKEFBMHVSA-N 416.558 4.651 0 1 HJAF O=C(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205229146 CTBAIBKGAKGNGQ-BONVTDFDSA-N 413.663 4.661 0 3 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F 4049534 BDYSUNLBKWDTPA-IEBWSBKVSA-N 419.294 4.596 0 1 HJAF COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 4873426 BUZIBPFDGVZAGJ-UHFFFAOYSA-N 413.886 4.693 0 1 HJAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Br)ccc1C(=O)O 13531813 GBCBXTNUYINNAI-UHFFFAOYSA-N 403.154 4.810 0 1 HJAF CN(C)c1ccccc1C[S@@](=O)c1ncc(-c2ccccc2)n1Cc1ccccc1 13746241 YBRRWQDFKNZTRT-PMERELPUSA-N 415.562 4.972 0 1 HJAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccc(F)cc1)CC2 13982636 YUWXDNRDMDDSJC-WXFUMESZSA-N 424.535 4.987 0 1 HJAF Cc1ccc2c(c1)-c1cc([C@H]3COc4cc(O)cc(O)c4C3=O)c(O)cc1OC2(C)C 14765183 FOTMMTHXQRWJIH-QGZVFWFLSA-N 418.445 4.765 0 1 HJAF biogenic COc1ccc2cc([C@@H](O)[C@@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl 23247596 ZCAQYJBALMKXDC-CJAUYULYSA-N 424.972 4.742 0 1 HJAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3[C@H](O)C[C@H]21 45337112 RRYDIFIOFMVLMV-HWIPXOPOSA-N 416.558 4.808 0 1 HJAF biogenic CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CC)P(=O)(Oc1ccccc1)Oc1ccccc1 96167893 RDUZJAJYHSJVQI-AHRSYUTCSA-N 404.447 4.563 0 1 HJAF CCOC(=O)c1c(C)[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3)ccc2c1=O 96933118 NRAUEOICUKPSMH-UHFFFAOYSA-N 405.372 4.503 0 1 HJAF Cc1cc(N)c2cc(NC(=O)COc3ccc(OCc4ccccc4)cc3)ccc2n1 103236370 GFIWCUVRRWFESB-UHFFFAOYSA-N 413.477 4.722 0 1 HJAF COc1ccc(CN(CCc2ccc(OC)c(OC)c2)Cc2ccccc2)cc1O 103284546 XHDSNWGLZIIWGZ-UHFFFAOYSA-N 407.510 4.663 0 1 HJAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 105173399 DMDNPELBRRZIGL-XODARUQUSA-N 418.585 4.853 0 1 HJAF CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccccc2O)cc1C(=O)O 143761322 QEKLKRHJNZEJNW-UHFFFAOYSA-N 405.516 4.860 0 1 HJAF Cc1ccc2nc([C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@H]43)[nH]c2c1 150324519 BLBYVQATGPHXAX-VABKMULXSA-N 424.460 4.585 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(CC)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169713444 GLSZMIVCBQXSEA-DVYDIAMOSA-N 402.623 4.725 0 1 HJAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3ccccc3)c21 169722215 IFXYOMXNXTVROS-NRFANRHFSA-N 404.397 4.714 0 1 HJAF CN(C)C(=O)c1ccc(Nc2cc3c(-c4cnn(C)c4)cccc3cn2)c(Cl)c1 207616277 MJFXYHVYPLOYDI-UHFFFAOYSA-N 405.889 4.734 0 1 HJAF C[C@@H]1CC[C@@]2(NC1)N[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 255222027 JXWLYDNHVXFBJA-FIBXIUFESA-N 412.662 4.860 0 1 HJAF O=C(Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1)c1cccs1 587019649 PWBGTRNWMDIHIB-UHFFFAOYSA-N 410.311 4.626 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 587026747 MLNYCBAKIDQYIH-XKQJLSEDSA-N 401.482 4.978 0 1 HJAF Cc1cnc(Cl)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 587092001 QFLRKPVAQQUULN-UHFFFAOYSA-N 410.705 4.942 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(F)c1 587144677 NADMUUHWFIXIHX-FQEVSTJZSA-N 404.401 4.766 0 1 HJAF CC(=O)Nc1cccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587242429 LJLHVRMBQVLQQC-UHFFFAOYSA-N 412.209 4.893 0 1 HJAF O=C(c1coc2ccc(Cl)cc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 587279653 ZDEMZSQPCRPYSJ-UHFFFAOYSA-N 421.877 4.509 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 587335087 NPLXRRWXAHBLMT-XUZZJYLKSA-N 418.399 4.696 0 1 HJAF C[C@@]1(c2cccc(NC(=O)C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500436 OYHNFLNFAUVBKO-NRFANRHFSA-N 403.400 4.947 0 1 HJAF COC(=O)CCC[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525497 PJFYMDZGKFICGP-VWLOTQADSA-N 408.494 4.778 0 1 HJAF COC(=O)c1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587548370 WKBRZPPRSZPUBH-RXVVDRJESA-N 410.809 4.535 0 1 HJAF C[C@@]1(c2cnn(Cc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584042 YTGHDRCLPMSTCN-DHLKQENFSA-N 412.445 4.514 0 1 HJAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590456 SJIYZAGFOPXMMB-CJFMBICVSA-N 412.445 4.968 0 1 HJAF CCN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587597392 UUCNLMRVUWULNM-RDGATRHJSA-N 401.462 4.868 0 1 HJAF O=C(O)CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613146 NZMNMXYQNMOCES-SIKLNZKXSA-N 410.447 4.566 0 1 HJAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)S1 587620527 ZHYRIDOHAZNKMK-IIBYNOLFSA-N 421.478 4.535 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC(C)(C)NC(=O)OC(C)(C)C)N1 587752184 CQAGJOSUXSSCGM-BZNIZROVSA-N 415.347 4.857 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)N1 587770332 PVNIZUQNEQVOHE-KHIZAZIESA-N 413.331 4.563 0 1 HJAF COc1ccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC 587927345 PNIHLSABYPEPNQ-UHFFFAOYSA-N 419.319 4.968 0 1 HJAF COc1cccc(C(=O)c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)c1 587932128 NMSSGXMMCQGHOX-UHFFFAOYSA-N 408.255 4.627 0 1 HJAF CC(=O)CCCC[C@@]1(c2ncco2)NC2(CC2)Cc2ccc(Br)cc21 961614887 NIZIMTRYMLIWJM-HXUWFJFHSA-N 403.320 4.508 0 1 HJAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cc(Cl)ccc1Cl)(C(F)(F)F)NCC2 962929315 IXXBXAHOMXFZPT-GOSISDBHSA-N 417.258 4.647 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@](CCc3ccccc3)(c3ccccc3F)c3cccc1c32 963038737 YBKBTQCFZWAEGZ-NIYFSFCBSA-N 400.497 4.755 0 1 HJAF CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 1772640700 UAKHPZUEZWZAAA-JKRLWXMKSA-N 413.602 4.979 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5c(c(C)nc6nccn56)[C@@]4(C)CC[C@@H]32)C1 1857544653 HJKAPCSJJRMCPK-QRDUSVRYSA-N 419.569 4.946 0 1 HJAF CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)NC)CC[C@@]2(C)[C@@H]4CC[C@H]3[C@@]1(C)CO 2356382509 CZXKGNGEDOGNHC-ODEOPFGSSA-N 402.667 4.594 0 1 HJAF CO[C@@H](C=C[C@H]1CCC(=O)O1)CCCCCC=C(Br)Br 2356635176 VKOGIGKSQGLZNY-OLZOCXBDSA-N 410.146 4.845 0 1 HJAF CC(C)CC[C@@H]1C[C@@H]2CC[C@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)[N@]4C[C@@]34O)N[C@H]2C1 2356767112 PNYWNZNMNZVBPJ-ISIBYPRSSA-N 424.629 4.578 0 1 HJAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CC(=O)O)C=C[C@@H]4[C@@]3(C)CC[C@@H]21 2356786179 ZGSJJUBSIWHGSK-LDSYJXOVSA-N 415.574 4.986 0 1 HJAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)on1 61926623 DBTCVUNGEBJWGN-NRFANRHFSA-N 403.482 4.613 0 3 HJAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4081497 AMZYOCOERFRHIY-FPOVZHCZSA-N 412.848 4.523 0 1 HJAF Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(-c3ccccc3)nc21 28642960 VGQLZQWORBSWLP-UHFFFAOYSA-N 404.905 4.945 0 1 HJAF COc1ccc(I)c2c1CN(Cc1ccccc1)C(C)(C)C2 45495245 HIEPYGUYKFMTAH-UHFFFAOYSA-N 407.295 4.637 0 1 HJAF O=C(c1ccccc1)N1CC[C@](O)(c2cccc(C(F)(F)F)c2)[C@H]2CCCC[C@@H]21 71296328 KZVPSNWFEGOKEX-ONTIZHBOSA-N 403.444 4.998 0 1 HJAF CCN(CC)C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73292464 SWLNYFKXWZZDQO-SFHVURJKSA-N 408.329 4.640 0 1 HJAF COc1cc(/C=C2\CCCN(Cc3cccc(F)c3)C2=O)ccc1-n1cnc(C)c1 95579405 PKWLPVISMKSERM-RGVLZGJSSA-N 405.473 4.534 0 1 HJAF Cc1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)cc1C 103187122 FNDRUYAUJOLSCN-JCMHNJIXSA-N 406.913 4.848 0 1 HJAF COc1cc2c(cc1OC)[C@H](c1sc3cc(OC)c(OC)cc3c1Cl)NCC2 204775329 POYLMWYFTWFLRG-HXUWFJFHSA-N 419.930 4.824 0 1 HJAF CCCCCCc1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 299828838 XEKVPIKVJKESPN-UHFFFAOYSA-N 404.486 4.931 0 1 HJAF O=C(O)c1ccc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c[nH]c2c1 586989336 FKWHYQFZIKZFIF-UHFFFAOYSA-N 406.397 4.998 0 1 HJAF Cc1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002339 DFLHSYZDFLMFPB-UHFFFAOYSA-N 406.081 4.940 0 1 HJAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587174894 NJAIZKJTNMIKQT-LBPRGKRZSA-N 412.774 4.978 0 1 HJAF Nc1ccccc1-c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 587251151 ZQSGAMBBXGQLMN-UHFFFAOYSA-N 408.255 4.940 0 1 HJAF CCOC(=O)[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353612 ZPOHMEWBDSRBMZ-RCZVLFRGSA-N 420.436 4.657 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C(=O)O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587353946 PRDPUAYBCOEEKM-KPCPBYSCSA-N 418.420 4.748 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c3c(c1)CCO3)CC2=O 587458166 GZBIHHYSLFPASR-SFHVURJKSA-N 403.272 4.749 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccnc3CC)c1)CC2=O 587470169 ITYOGJBWJNTHFI-QHCPKHFHSA-N 420.509 4.867 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)CC2=O 587472141 YVIZOCSUZFJEGF-NZQKXSOJSA-N 419.477 4.721 0 1 HJAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577786 OYPUHWWSCPRJNE-RCZVLFRGSA-N 415.445 4.857 0 1 HJAF COc1ccccc1-c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587586931 LVAWXXFSKZVNDE-QPPBQGQZSA-N 415.401 4.759 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3ccccc3oc2=O)N1 587707748 WXGNDNBIWVNJOG-DYBLOJMWSA-N 422.681 4.972 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCCC2)N1 587717630 GJXWVBXEPHABJR-FKIZINRSSA-N 407.302 4.951 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(N)cccc12 587746634 NEELUSAOOKHFHU-AMXDTQDGSA-N 409.302 4.977 0 1 HJAF CCCn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 587759808 VPWFRKWZHXTAGV-CWTRNNRKSA-N 402.311 4.972 0 1 HJAF CCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 587798371 VFBQMTFAMKEIQP-WYRIXSBYSA-N 416.294 4.824 0 1 HJAF CC1=C(c2ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 587955542 MWCLHDGZCDGSBW-NRFANRHFSA-N 408.505 4.693 0 1 HJAF COc1cc2c(cc1OC)[C@@](CC(=O)c1ccc(C)cc1)(C(F)(F)F)N(C)[C@H](C)C2 962636114 XXWRGSSLKPCGCO-QRQCRPRQSA-N 421.459 4.919 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(OC)c3oc(C(=O)O)cc23)N1 962949573 PVSFPVZTRXJXOH-RZFZLAGVSA-N 404.466 4.809 0 1 HJAF CC(C)=CC[C@@H]1Cc2c(OCc3ccccc3)cc(=O)n(CCCO)c2CC1(C)C 1857579256 KRBNLJOQRKGAJX-OAQYLSRUSA-N 409.570 4.907 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1 1857612431 GRRARQOFQOLEAH-YEJXKQKISA-N 406.375 4.624 0 1 HJAF CC(=CCCC1=CCN(CC(=O)O)C1=O)CCC=C(C)CCC[C@H](C)CC(=O)O 2356600977 FYWCTUYAFXXJQJ-IBGZPJMESA-N 405.535 4.574 0 1 HJAF O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1ccc(I)cc1 2356819378 OWERCJQVRGSMNU-UHFFFAOYSA-N 414.266 4.634 0 1 HJAF O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)N3CCC[C@@]123 12306234 HYNUTHAJTWJGFO-KLJDGLGGSA-N 409.533 4.687 0 3 HJAF CC(C)C[C@H](N)c1csc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)n1 61908765 CHDQXYVYOMHZQT-SFHVURJKSA-N 409.559 4.600 0 3 HJAF COc1cccc(CN2C(=O)COCc3cc(-c4ccc(F)cc4OC)ccc32)c1 205210339 PFGQOGUYXBMKPN-UHFFFAOYSA-N 407.441 4.573 0 3 HJAF O=C(CCC1CCN(Cc2cccc(F)c2)CC1)c1cc2c3c(c1)CCN3C(=O)CC2 3948093 RAYMNBAAUXRZHA-UHFFFAOYSA-N 420.528 4.536 0 1 HJAF investigational CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OCC)cc1 4055263 UBKXYGXIUHRXIG-CTNGQTDRSA-N 400.906 4.747 0 1 HJAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 13557932 ULAJJQTURCISPW-UHFFFAOYSA-N 404.466 4.987 0 1 HJAF O=C(NCCN1CCCCC1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 13581704 AOMWTDFUWKTRKL-UHFFFAOYSA-N 419.500 4.896 0 1 HJAF COc1cc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O 14435648 BJMZZPKIBSAQBA-VYNZJCPOSA-N 418.486 4.520 0 1 HJAF COc1cc(O)cc2c1C(=O)O[C@H]2CCCCCCCCCC(=O)CC[C@H](C)O 34002565 OROJAERRGGSBPD-JXFKEZNVSA-N 406.519 4.853 0 1 HJAF biogenic COC(=O)c1ccc(OC)c(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1 71294202 RMSVJOQSANKEHX-UHFFFAOYSA-N 405.454 4.738 0 1 HJAF CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ccncc4[nH]3)c(C)c2c1 71341237 MDIXZEBSCHRVDY-KRWDZBQOSA-N 424.526 4.635 0 1 HJAF CC(C)(C)NC(=O)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72102478 UJDZJYVKZCJXMI-FQEVSTJZSA-N 418.944 4.526 0 1 HJAF O=C1CS[C@H](c2ccco2)N1CCCCNc1ccnc2cc(Cl)ccc12 72106769 DAYLAGQHOMHSNF-HXUWFJFHSA-N 401.919 4.948 0 1 HJAF O=C(Nc1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100093133 FMVQMMLPTBRCPV-JKHIJQBDSA-N 403.913 4.979 0 1 HJAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1ccccc1 103215553 MJRKQFCFRQCKQI-QGZVFWFLSA-N 402.742 4.586 0 1 HJAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC(C)C)nn32)cc1OC 103532260 PKWYWAWLHJVKKF-IBGZPJMESA-N 414.531 4.715 0 1 HJAF Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(CO)cc4Cl)sc23)ncn1 114601658 MAFZJJYDINWFCS-UHFFFAOYSA-N 418.309 4.999 0 1 HJAF COc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3cccc4ccccc34)C2)cc1 169336258 SOLRGZXQVOFWJI-NRFANRHFSA-N 401.491 4.629 0 1 HJAF CS(=O)(=O)Nc1noc2cc(COc3ccc(Cl)c(Cl)c3)c(Cl)cc12 218068443 XILFVITZBYZXHO-UHFFFAOYSA-N 421.689 4.739 0 1 HJAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1 226005846 GKXMHEVHFMPCFB-UHFFFAOYSA-N 405.807 4.947 0 1 HJAF CCN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](NCC)CC[C@@]45C[C@@]35CC[C@]12C 255271385 UHCFBQGPAUZDTC-HDTPANDVSA-N 416.694 4.982 0 1 HJAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C[C@H]4CCCOC4)C3)cc12 473162936 XBNUEPONISZDQX-SJORKVTESA-N 409.505 4.594 0 1 HJAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccc(C)nc3[nH]2)cc1OC 587055452 CMASHPSLOWJMNY-UHFFFAOYSA-N 422.872 4.856 0 1 HJAF Cc1c(Br)cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587077494 ZGBKAOWZQWDRFE-UHFFFAOYSA-N 418.682 4.517 0 1 HJAF C[C@]1(c2ccc3[nH]c(O)cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345060 IIBIERAIGKBTKI-LADGPHEKSA-N 403.409 4.993 0 1 HJAF C[C@]1(COc2cccc(C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352338 WYFYNIZECFVIAH-LADGPHEKSA-N 406.409 4.540 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccc3C(=O)O)c1)O2 587398266 DGMXQGQMAIXBCH-QFIPXVFZSA-N 403.434 4.561 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O)cc1Br)CC2=O 587456466 PCFKHAPKPIZGCT-SFHVURJKSA-N 421.287 4.918 0 1 HJAF Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587581884 XNJXTQVDLPEOSF-DHLKQENFSA-N 417.461 4.758 0 1 HJAF Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C 587655597 AQLQDPPMAQJFTD-UHFFFAOYSA-N 420.415 4.678 0 1 HJAF COc1cccc(-c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)on2)c1 587797724 RVOWIFKWHGZPHL-YBTHPKLGSA-N 417.278 4.875 0 1 HJAF COc1ccc2c(c1)C=C([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)CO2 587833713 HQPHABAJQUDFQZ-BIBXISHDSA-N 404.279 4.648 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)CN1CCCCCC1 587863542 NBRSXTDUGWCMKF-HNNXBMFYSA-N 409.452 4.730 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCCc2ccccc21 587864079 WXBWDZRBPKFSRK-UHFFFAOYSA-N 415.415 4.671 0 1 HJAF CC1(C)CCc2ccccc2[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962676065 XKKMLGCAAQKISW-FTJBHMTQSA-N 400.522 4.549 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)c(OC)cc2Br)N1 962944775 FISSCNVMBHIGJM-PRWKNARSSA-N 401.304 4.658 0 1 HJAF COc1cccc2cc3c(nc12)[C@@](C)([C@H](C)N1CCCc2cc(C)ccc21)NCC3 963027827 AKSDSLMWHDJWPM-HFJWLAOPSA-N 401.554 4.754 0 1 HJAF Cc1cc(O)nc(SC[C@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)n1 963112132 WPJOKATYCIWDCC-RDPSFJRHSA-N 421.541 4.686 0 1 HJAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]12CCCCCCC21CC1 963136828 GUWHMVCQTAICEP-QVKFZJNVSA-N 406.548 4.719 0 1 HJAF CC(C)=CCC[C@]1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@@H]1O 2356396247 FVQOXJFGJXBAIU-DHLKQENFSA-N 422.477 4.672 0 1 HJAF COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2)cc1OC 776254 MWNLMZUUULZTGS-UHFFFAOYSA-N 408.498 4.629 0 1 HJAF COc1ccc(/C=C2\CCCC3=C2N=C2N=NNN2[C@@H]3c2ccc(OC)cc2)cc1 2916670 MUQSIMJCNHUYQL-JWIKTPOESA-N 401.470 4.824 0 1 HJAF CO[C@@H]1[C@@H](OC(=O)c2cccc(Cl)c2)c2c(ccc3ccc(=O)oc23)OC1(C)C 5963878 QBAFOIZSLVPHRY-VQTJNVASSA-N 414.841 4.531 0 1 HJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(O)O)S(=O)(=O)O 13746348 GAGCDEGBGYUQJJ-UTWGVSKESA-N 408.497 4.968 0 1 HJAF in-vitro CCCCC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26382111 YONJXXHWOBYJJZ-UHFFFAOYSA-N 422.403 4.709 0 1 HJAF Cc1ccc(OCCCCCCC(=O)O)c(C(=O)c2ccc(-n3ccnc3)cc2)c1 28393172 WCXUYXLYAYWKSZ-UHFFFAOYSA-N 406.482 4.826 0 1 HJAF COc1ccc([C@@H](c2ccc(OC[C@H](O)CN3CCCC3)cc2)c2cccs2)cc1 29131480 KPBUBWFUFSHFSA-BWKNWUBXSA-N 423.578 4.772 0 1 HJAF CCCCN(CCCC)c1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccccc1 40407454 BKKCQCSVOWENAO-UHFFFAOYSA-N 415.541 4.978 0 1 HJAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 72136120 LUIVVVBAKNBNNR-VSKRKVRLSA-N 402.970 4.738 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82141389 LTBMEPWBVUKEAJ-UHFFFAOYSA-N 404.489 4.767 0 1 HJAF O=C(Nc1ccccc1)C1=CC[C@@]23CCN(CC4CC4)C[C@]2(C1)Cc1ccc(O)cc13 87708648 ZPUNRBOAUGQHGN-SXOMAYOGSA-N 414.549 4.647 0 1 HJAF Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C 95575672 XARMZAVQMJMYJM-QFIPXVFZSA-N 412.961 4.809 0 1 HJAF COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccn3)s2)cc1 96927342 HWAUTVYDPTUGOR-UHFFFAOYSA-N 415.474 4.697 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 169368484 HNCAMNUTTBOMFY-RKRMHJIESA-N 402.623 4.725 0 1 HJAF COc1ccc(-c2csc(NC(=O)c3sc4nc(C)cc(C)c4c3N)n2)cc1 197617761 XHJNKYKFZNHBCH-UHFFFAOYSA-N 410.524 4.880 0 1 HJAF O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 261087779 CWRPSMSLGXTWCU-BJHJDKERSA-N 405.285 4.828 0 1 HJAF CC(C)(C)c1nnc(NC(=O)c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)s1 261088273 CZEBNDIELFMIND-HDJSIYSDSA-N 401.532 4.836 0 1 HJAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1-c1cccc(C)c1 261174478 UOCHCKJCLDKBRL-FQEVSTJZSA-N 424.884 4.665 0 1 HJAF COc1ccc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc1 299827339 GFFZJPONWFJKBU-UHFFFAOYSA-N 420.904 4.954 0 1 HJAF COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)c3ccc(C[C@H]4CCCC4=O)cc3)c2c1 504603843 XATWXFCYPQTKPK-FXAWDEMLSA-N 418.537 4.551 0 1 HJAF biogenic CC(C)COc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cc1Br 586883587 CKBBDWIKEUJRDW-HZSPNIEDSA-N 403.320 4.999 0 1 HJAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(C)cc3[nH]1)C(=O)OC2 586915488 NSWHXQCCLJXWLL-ACAGNQJTSA-N 406.482 4.686 0 1 HJAF Cc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br 587006028 ABGHTZXBLPSACF-UHFFFAOYSA-N 406.081 4.711 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 587039799 FWSLLCKCHLQNBR-ZFWWWQNUSA-N 414.403 4.558 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)cc(F)c3[nH]2)c1 587050654 ZHUAQSDXYPXNLB-UHFFFAOYSA-N 416.884 4.974 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1 587191609 NGQIXGNBZXTWOX-INIZCTEOSA-N 417.307 4.677 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c(F)cc(F)cc32)[C@@H]1c1ccc(F)cc1 587330525 FTOVOJGFLHLKHV-OFNKIYASSA-N 412.363 4.846 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)O2 587396240 QXPXQJBKCWMDMT-KBMIEXCESA-N 422.525 4.706 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1Br)CC2=O 587456318 NJDIRDLJXRKXCT-KRWDZBQOSA-N 421.287 4.831 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)C(F)(F)F)cc1)CC2=O 587460456 IQAHYRIZDUMMLB-FQEVSTJZSA-N 407.388 4.726 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C(F)(F)F)cc1C1CC1)CC2=O 587464605 UJEOXELCOINUIN-HXUWFJFHSA-N 408.420 4.862 0 1 HJAF COc1cccc(OC)c1CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513703 LBHKQPWTULTBSJ-UHFFFAOYSA-N 421.537 4.583 0 1 HJAF Cc1ccc(C)c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571883 MWTAVERYQRWYIE-NCXNDVEFSA-N 415.489 4.941 0 1 HJAF Cc1ccc([C@@]2(c3ncccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587774134 LQKAMOMEIJCIAN-LHSJRXKWSA-N 412.306 4.513 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 587782188 HTRHJOCZMFXDAO-UHFFFAOYSA-N 410.271 4.980 0 1 HJAF COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(OC)c1O 587784202 FLAKVLNMXMLVEY-UHFFFAOYSA-N 421.291 4.750 0 1 HJAF CCOc1c(OC)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587802442 RZMIFOOZXFLMAF-NSPYISDASA-N 424.310 4.628 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCC2)N1 587818751 JEQHDPFUCOWDJZ-ASSNKEHSSA-N 402.307 4.979 0 1 HJAF Cc1cc(C)nc(SC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587846791 RVBPGDHLTDMZAF-KZULUSFZSA-N 410.356 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nccs2)N1 587852190 DXQPPWJOZOBTFV-CWTRNNRKSA-N 403.320 4.871 0 1 HJAF CN(Cc1ccc2c[nH]nc2c1)C(=O)CCc1cccc(-c2nc3ccccc3[nH]2)c1 1911585632 IIBRMXORPQTDOS-UHFFFAOYSA-N 409.493 4.697 0 1 HJAF CC=CC=CC[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@@H](O)C=C(C)C=CC=CC(=O)N1 2356393266 FFBLFSFSCNGUGS-ZNZIZOMTSA-N 421.581 4.793 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356545974 UUNHPBZSQYSXEZ-AFGPWYPBSA-N 424.581 4.995 0 1 HJAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2C1(C)C 2356678733 RIVHNPMZWXZMQB-CXXHRNMOSA-N 420.546 4.680 0 1 HJAF COc1cccc(CNc2nc(NCc3ccccc3OC)nc3ccsc23)c1 61925896 VULIURILRNPGDA-UHFFFAOYSA-N 406.511 4.933 0 3 HJAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774683 WZPPIVUCBYACPA-MLGOLLRUSA-N 404.919 4.860 0 1 HJAF C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 6525495 AXOHLJFITRSTNR-HNAYVOBHSA-N 412.530 4.773 0 1 HJAF Cc1cc(F)ccc1C(=COCCN1CCC=C(C(=O)O)C1)c1ccc(F)cc1C 13800089 GQUPCMRJHWHZFE-UHFFFAOYSA-N 413.464 4.704 0 1 HJAF Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)co1 13809632 NLXBGPMWVJISIR-UHFFFAOYSA-N 409.467 4.723 0 1 HJAF COc1ccccc1N1CCN(CC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 13861742 LLNFVVXSTGRSIR-RUZDIDTESA-N 402.538 4.608 0 1 HJAF O=C1C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O 27084167 MCYXRKKCRSMHOD-LLVKDONJSA-N 407.775 4.824 0 1 HJAF COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccccc2C)c2ccc(F)cc2)n1 36761644 TXNQVNJLHSCOLW-INIZCTEOSA-N 409.465 4.741 0 1 HJAF CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@H](CO)c1ccccc1 38149609 QSPAMLVMIBGBJK-MRXNPFEDSA-N 407.354 4.559 0 1 HJAF Brc1cnc(N[C@@H]2CCc3ccccc32)nc1Nc1cc(C2CC2)n[nH]1 38253484 IQJAOJXGJBJWID-OAHLLOKOSA-N 411.307 4.683 0 1 HJAF O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@](O)(c3ccccc3)[C@@H]12 40763062 LABBNEPDDCADPC-DYZUWXGSSA-N 417.892 4.783 0 1 HJAF CCC[C@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NCc2cccc(F)c2)n1 45210875 JQSWGDKJPLHDEL-JXFKEZNVSA-N 415.557 4.668 0 1 HJAF Cc1ccc(N[C@H](C)c2nc3ccccc3c(=O)n2CCO[C@H]2CCCCO2)cc1C 45300568 VUPHLWZMXWYWHQ-XXBNENTESA-N 421.541 4.730 0 1 HJAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)OCCC1CCCCC1 82084061 KCLSRGJQGZTZNG-HNNXBMFYSA-N 401.532 4.519 0 1 HJAF O=C(NCC1CC1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 82140216 FPGIMTADTMUIGB-UHFFFAOYSA-N 424.907 4.731 0 1 HJAF CCCCCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 82180719 IGVHCPSGFXCRQH-UHFFFAOYSA-N 404.493 4.872 0 1 HJAF CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 104695284 QCNUBGMFJXMLIC-JOCHJYFZSA-N 403.482 4.927 0 1 HJAF CC(C)CC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 142490028 OETVIHXIGVZQPR-UHFFFAOYSA-N 401.510 4.850 0 1 HJAF CN(O)C(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167055090 ABYYKBSCJGPBPY-FMIVXFBMSA-N 402.479 4.741 0 1 HJAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc(Oc2nccs2)cc1 167691891 FTHSKHDDVKRQCI-KRWDZBQOSA-N 410.495 4.816 0 1 HJAF Cc1nc([C@H](CC2CC2)NC(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)no1 207739731 PGKCLHMFUMHWFJ-QFIPXVFZSA-N 420.488 4.652 0 1 HJAF COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 253636361 HPFQTJINQTUEHG-IFMALSPDSA-N 418.537 4.888 0 1 HJAF CC(C)(C)OC(=O)n1cc(C[C@@H]2CN(Cc3ccccc3)CC[C@H]2O)c2ccccc21 253951569 WEFVJADSVQYLMI-ZJSXRUAMSA-N 420.553 4.850 0 1 HJAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)c1C 586947504 PVIIRGZPWRJVDG-UHFFFAOYSA-N 412.902 4.696 0 1 HJAF CC(C)(C)OC(=O)N[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586987854 SSEDFMQLUSPJNS-INIZCTEOSA-N 402.450 4.664 0 1 HJAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)cc1 587243434 LILIDIVPPDWKBZ-UHFFFAOYSA-N 404.264 4.958 0 1 HJAF CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1coc2ccc(Cl)cc12 587277750 AACOEIUUEXLRCN-UHFFFAOYSA-N 402.674 4.738 0 1 HJAF Cn1nc(C(F)(F)F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332453 SHORROXDDWGYMX-ICSRJNTNSA-N 420.362 4.558 0 1 HJAF COc1cc2c(cc1F)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335112 NWQLHCUXWYGTJA-LADGPHEKSA-N 408.400 4.880 0 1 HJAF Cn1ncc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc21 587336794 AQHVPLSCIUDUTI-VWNXMTODSA-N 402.425 4.692 0 1 HJAF CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443017 SMTQFDVRUXHZJC-YZIHRLCOSA-N 422.521 4.747 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1F 587570274 UTYHKJBPGQUSMT-CVDCTZTESA-N 402.381 4.624 0 1 HJAF O=C(O)c1cccc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587613263 XTXBSEILUVYPGX-XUZZJYLKSA-N 412.397 4.947 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(O)c2)N1 587675261 AKYJOMHPSCPHSS-VPTHRUTESA-N 415.100 4.680 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N(C)C2CC2)N1 587732591 ODSJUZGHLSGXAU-YBTHPKLGSA-N 407.302 4.950 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCN(Cc3ccccc3)C2)N1 587758175 BTRAFZKDSRCSHU-YBOAYWMSSA-N 417.366 4.860 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](c3ncccc3O)C2)N1 587774182 SZYLNVNGZHKVPS-WVSMJXTDSA-N 405.311 4.776 0 1 HJAF CC[C@@]1(c2ccc(OC(=O)OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812354 YMZGSWLLWFSTHL-ODXCJYRJSA-N 422.294 4.921 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCC2)N1 587818754 JEQHDPFUCOWDJZ-ZSEKCTLFSA-N 402.307 4.979 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587852893 NZVHEFAVIHRBHR-PIGZYNQJSA-N 424.383 4.967 0 1 HJAF Cc1c2cc(-n3ccc(OCc4csc(C(F)(F)F)c4)cc3=O)ccc2nn1C 653726439 HCPZBYNMKVQXBT-UHFFFAOYSA-N 419.428 4.692 0 1 HJAF CCCCC(=O)N(CCCC)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356826899 HLIHLMZQNAZFBR-XMMPIXPASA-N 410.558 4.872 0 1 HJAF COc1cccc(CN2CCC(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)c1 61930243 XQOUTDCUKNBETG-IBGZPJMESA-N 402.538 4.938 0 3 HJAF COc1cc(OC)cc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3n2C)c1 205214315 AKGLPEDEZZOEPL-UHFFFAOYSA-N 417.465 4.772 0 3 HJAF CCC[C@H]1[C@@H](NC(=O)Nc2ccc(OC)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206044970 SDTIRSVQTAVHRI-MDAIXWLXSA-N 413.562 4.557 0 3 HJAF CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 760191 SOVQIINIFWMUGH-HSZRJFAPSA-N 415.537 4.591 0 1 HJAF O=C1CN(C(=O)c2cccs2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456394 GZUBGJGFWMNBMA-LJQANCHMSA-N 400.862 4.725 0 1 HJAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3)N2C1=O 13527923 OOXINTWWKKLTIQ-TZIWHRDSSA-N 407.901 4.900 0 1 HJAF Cc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl 13762132 DZZRVNYSBGNSMV-UHFFFAOYSA-N 414.836 4.923 0 1 HJAF COc1ccc2nc(NC3=NS(=O)(=O)C(c4ccc(C)c(C)c4)=C3C)sc2c1 15671965 JVNAVUHIHUUMCL-UHFFFAOYSA-N 413.524 4.507 0 1 HJAF CN1CCN(CCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2Cl)CC1 22939865 ZXMPAZXJAWNPKV-UHFFFAOYSA-N 424.397 4.721 0 1 HJAF CCCc1cc(COC)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 29477507 XIQQEIKHVYEKEN-UHFFFAOYSA-N 407.466 4.699 0 1 HJAF CCOc1ccc(-c2cc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 35065331 GWSNDFGUYRROMO-UHFFFAOYSA-N 413.495 4.653 0 1 HJAF Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(C)cc2C(=O)O)c1 40900546 JHSHSRHLYPKZBG-UHFFFAOYSA-N 416.477 4.899 0 1 HJAF O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C(F)(F)F 45261555 UFNKMQYZJQULQP-MRXNPFEDSA-N 413.808 4.542 0 1 HJAF O=C(CC1=C[C@H](Cc2ccc(Cl)c(Cl)c2)c2ccccc21)N1CCOCC1 45356547 RFYHOIKKXRKSGR-INIZCTEOSA-N 402.321 4.966 0 1 HJAF CSCCCN1C(=O)CS[C@@H]1c1cnccc1-c1ccc(Br)cc1 45368713 OJESPPROJAYBAQ-GOSISDBHSA-N 423.401 4.838 0 1 HJAF O=S(=O)(c1ccccc1)c1cn([C@H]2CCN(Cc3ccccc3)C2)c2ccccc12 49031426 CKFOUPRHOQCFFM-NRFANRHFSA-N 416.546 4.921 0 1 HJAF Oc1cccc([C@@H]2CN3CCC[C@H]3c3cc(OCCCN4CCCCC4)ccc32)c1 58692870 RAEUXCRVYZPPCZ-UIOOFZCWSA-N 406.570 4.929 0 1 HJAF CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 66136561 ACNJSANQXJKRCD-KKSFZXQISA-N 414.299 4.801 0 1 HJAF CCc1nc(N(CCOC)CCOC)c(CC)nc1-c1ccc(Cl)cc1Cl 72177289 ZFCBUMWIIUHNTP-UHFFFAOYSA-N 412.361 4.674 0 1 HJAF COc1ccc(OC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)cc1 82157936 XGZKKNLGABNKHB-MRXNPFEDSA-N 409.486 4.621 0 1 HJAF CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O 84713160 LWTLGPPVCNPAAK-UHFFFAOYSA-N 405.885 4.785 0 1 HJAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccc5c(c4)OCO5)cc3)c12 96168222 RJKQEPRBCURRJG-UHFFFAOYSA-N 400.438 4.767 0 1 HJAF O=C(O)Cc1ccccc1-c1ccc(F)c2c1CN(C(=O)OCc1ccccc1)CC2 144095488 LQLODGVSRCCMCW-UHFFFAOYSA-N 419.452 4.815 0 1 HJAF Cc1c(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)ccc(-n2c(C)nnc2C)c1C 147780545 DKYSPYIPMDMJJL-ZCYQVOJMSA-N 402.542 4.642 0 1 HJAF Cc1cc(CC(=O)NCc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)on1 169701482 ANHCXYXPDOSJLT-UHFFFAOYSA-N 407.253 4.647 0 1 HJAF C[C@@H](C(=O)Nc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1)c1ccccc1 210652738 QRBTUJUIFNHOIZ-LJQANCHMSA-N 421.585 4.556 0 1 HJAF O=C(O)/C=C/c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 221051913 SXIZMFKIVGGUSY-JLHYYAGUSA-N 418.445 4.607 0 1 HJAF CC[C@H]1C[C@]2(C[C@@H](CC)N1)C(=O)N(CCCc1ccccc1)C(=O)N2c1ccccc1 253664610 GSYOURVKZLLEOD-MOOYMSSBSA-N 419.569 4.767 0 1 HJAF C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 255222454 KEQHTOUDMQKLFW-QPJKTJHZSA-N 401.635 4.916 0 1 HJAF CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1 586967263 VXIHTGMCNBNFEB-UHFFFAOYSA-N 422.354 4.951 0 1 HJAF Cc1cc(-c2nc3cc4ccccc4cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125384 PUVDFHAAQWMWDY-UHFFFAOYSA-N 405.401 4.953 0 1 HJAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(O)c1 587240668 NPNXHJUOLXLQRN-UHFFFAOYSA-N 408.461 4.973 0 1 HJAF COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355687 ZHDMDTOZAOZHHR-MFSJNOQSSA-N 412.457 4.628 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@]3(NC(=O)OC(C)(C)C)CC[C@@]1(C)C3(C)C)O2 587389590 LNYWKZKIMICHFY-HJOGWXRNSA-N 414.546 4.775 0 1 HJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCc2ccccc2)c1OC 587399003 HQPBASSIPPYQJD-OAQYLSRUSA-N 419.477 4.880 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](O)c1ccccc1)[C@@H](C2)C3=O 587417679 FDZINNRCVOJMMC-IGKWTDBASA-N 406.865 4.725 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4F)c1)[C@@H](C2)C3=O 587427749 UTYMOCHJJAGSIF-BVZFJXPGSA-N 420.436 4.911 0 1 HJAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(OC)cc41)[C@@H](C2)C3=O 587449591 CKYGCYKTQOHKRP-FNZWTVRRSA-N 412.441 4.780 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(OC)c1O)CC2=O 587457215 WMBNRNDULASVGG-MRXNPFEDSA-N 407.260 4.528 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1OC)CC2=O 587459613 YNVPVMICVMVUGU-FQEVSTJZSA-N 405.288 4.996 0 1 HJAF COc1cc(CCCC(=O)O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521780 CKPSSGXMOACBTB-NRFANRHFSA-N 424.493 4.696 0 1 HJAF C[C@]1(CC(=O)Nc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549705 SWZPBXRAVLKZFZ-NZQKXSOJSA-N 423.852 4.795 0 1 HJAF CC[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590338 CAQIKMGANKRHPP-ZJSXRUAMSA-N 406.434 4.677 0 1 HJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1Cl 587692698 LLLPOTIFGMFDFF-XLFHBGCDSA-N 414.702 4.882 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OC(F)(F)O3)N1 587723315 WVBJAHYLSLFBGY-VXJOIVPMSA-N 400.194 4.533 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587723601 XQJKGIRXGPCBBL-LZVRBXCZSA-N 422.248 4.880 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2-n2ccnc2)N1 587735626 YGYZLRPSEUCKGD-YUNKPMOVSA-N 418.285 4.711 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)C2)N1 587766767 HSJPIKBLZLXGMS-BTYIYWSLSA-N 403.339 4.614 0 1 HJAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 587776394 XGWXXXJSCZXTOX-WLRWDXFRSA-N 401.279 4.769 0 1 HJAF CCOc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587834584 LKLCWOZNDOWLAB-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc3cc(O)ccc3c2)N1 963177230 CQDOQWFCTGNMEB-MOPGFXCFSA-N 421.802 4.906 0 1 HJAF O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)C[C@]1(CCO)c1ccccc1 1772580937 VJJOJVPAQRYRQP-XMMPIXPASA-N 403.457 4.746 0 1 HJAF FC(F)(F)c1ccc(NC2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772649723 UPKMVHXRBQYWBB-UHFFFAOYSA-N 400.408 4.763 0 1 HJAF CC(C)(C)OC(=O)N1CCN(C(=S)Nc2ccc(F)cc2)[C@@H](c2ccccc2)C1 1857616385 JRSXBDGUKLVGEQ-LJQANCHMSA-N 415.534 4.817 0 1 HJAF CO[C@@H]1O[C@]2(OC)CC[C@H](C)[C@@H]2[C@@H]2[C@H](C(C)=CCC=C(C)C)C[C@H](OC(C)=O)[C@H]12 2356432445 AYMKZCCQRACJSK-OWZCHNGLSA-N 406.563 4.865 0 1 HJAF C[C@H](Cc1c[nH]c2cc(Br)ccc12)NC[C@@H](O)c1cccc(Cl)c1 13488828 AMXCZKDZJXBRRY-CWTRNNRKSA-N 407.739 4.838 0 1 HJAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2c(Br)c(C)ccc32)cc1OC 13756929 KYAIXXKUPQNRDR-INIZCTEOSA-N 415.331 4.686 0 1 HJAF CCO[P@@](C)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40893222 KSDQAXXJHATGRM-AREMUKBSSA-N 400.440 4.819 0 1 HJAF CN(Cc1ccccc1)C1CCN(c2cc(NC(=O)c3cccc(F)c3)ccn2)CC1 45335054 RZGYRTOVNBTZMJ-UHFFFAOYSA-N 418.516 4.574 0 1 HJAF O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 66066236 BOFISHKAOJPLHA-UHFFFAOYSA-N 416.452 4.741 0 1 HJAF O=C(O)c1c(-c2ccc[nH]c2=O)c2c3ccoc3ccc2n1Cc1cc(F)ccc1F 95603321 IFXPCAPSJXKRQM-UHFFFAOYSA-N 420.371 4.768 0 1 HJAF C[C@H](C(=O)O)n1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 103182341 AJYZRJDKVYARPT-SSDOTTSWSA-N 403.719 4.681 0 1 HJAF COc1cccc(F)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccnc(-c2nc(C)cs2)c1 167679375 XJIWMKOGXNSCLB-ACJLOTCBSA-N 411.502 4.771 0 1 HJAF Cc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2ccccc12 169699800 BOHZIJNRZMHBRA-UHFFFAOYSA-N 412.555 4.763 0 1 HJAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2ccc(C(C)C)cc2)cc1 199947533 VRXYUSDGVXZTAN-UHFFFAOYSA-N 412.559 4.573 0 1 HJAF COc1ccc([C@H]2CC(c3ccccc3OC)=NN2c2ccc(C(=O)O)cc2)cc1 203670278 SGXGRYNXXLPGLY-JOCHJYFZSA-N 402.450 4.758 0 1 HJAF Fc1c(Cl)cccc1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 213614457 OSNZJNICECYWHS-KBPBESRZSA-N 408.662 4.971 0 1 HJAF Fc1cc(NCc2ccccc2)nc(-c2ccnc3[nH]c([C@H]4CCCNC4)cc23)c1 226090461 SDKUHAJXRKLBEV-KRWDZBQOSA-N 401.489 4.843 0 1 HJAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586901905 QINRYWMQDXCTPV-UHFFFAOYSA-N 409.467 4.510 0 1 HJAF COc1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2n1 586919086 ZKLCEMIFOXAZKC-UHFFFAOYSA-N 419.481 4.626 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987678 QDSXJDYKLQJVAG-UHFFFAOYSA-N 406.441 4.876 0 1 HJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC(C)=O 586993224 VEEIFKBZULYQGK-UHFFFAOYSA-N 411.413 4.753 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)ccnc3[nH]2)c1 587048542 JVFQYMLZEUAJBO-UHFFFAOYSA-N 420.300 4.575 0 1 HJAF CC(C)COc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587154032 BRHUTHPWJQNUAD-RNODOKPDSA-N 418.310 4.841 0 1 HJAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587223800 GIEUSLTVKDENEK-MRXNPFEDSA-N 403.507 4.798 0 1 HJAF COc1cc(C)c(N)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587250056 ROXPXGJOXLRVBK-UHFFFAOYSA-N 400.198 4.910 0 1 HJAF O=C(O)CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352677 NGEDCUQYAOJAMD-VWNXMTODSA-N 406.409 4.651 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N1CCCC1)[C@@H](C2)C3=O 587417422 KJNXFTOMSMWQDJ-HRAATJIYSA-N 414.299 4.547 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC 587549007 YPADMDCQIPENLN-RXVVDRJESA-N 412.825 4.766 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1cccc(F)c1 587569249 HCWBSZBCJZZFNZ-XXBNENTESA-N 402.381 4.624 0 1 HJAF Cc1cccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587605403 ZLDYKGWVEJPMKW-WIOPSUGQSA-N 418.445 4.813 0 1 HJAF COc1cc2c(cc1Cl)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587692180 AMPFPSSGDQTQBE-OVWNDWIMSA-N 410.714 4.974 0 1 HJAF COc1cccc(-c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)on2)c1 587799483 ZOCORFBUQQBKHF-PRWKNARSSA-N 417.278 4.875 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(O)sc3c2)N1 587855552 GPQIQKWESOGGPA-NIVTXAMTSA-N 407.308 4.701 0 1 HJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(F)ccc1F 587861350 SDDCWEQVEKGVDE-UHFFFAOYSA-N 412.314 4.575 0 1 HJAF COc1ccc(-c2cc(N)c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)s2)cc1 587875418 FHMQGJMYXIJYCL-UHFFFAOYSA-N 407.426 4.803 0 1 HJAF COC(=O)c1ccc(Oc2ccc3[nH]c(C(=O)Cc4ccccc4OC)nc3c2)cc1 587929253 HOHYDOCGFHURKQ-UHFFFAOYSA-N 416.433 4.576 0 1 HJAF C[C@@]1(c2ccc(I)s2)c2c(F)cccc2C[C@@H]2CCCN21 963086589 AVVCPAZPPITFQR-YVEFUNNKSA-N 413.299 4.776 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(F)cc1)c1cc(F)cc(F)c1 963635661 NJKHPFTUEKLPPQ-LFPIHBKWSA-N 413.439 4.947 0 1 HJAF COc1c(OCC2CCC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772579765 HPVNATHIFFKARP-SFHVURJKSA-N 422.569 4.630 0 1 HJAF CCOC(=O)c1c(NS(=O)(=O)c2cccc3ccccc23)sc2c1CCCC2 1772632805 JXXNYILRKWQKIS-UHFFFAOYSA-N 415.536 4.758 0 1 HJAF Clc1ccc(-c2nnn(CCCN3CCC[C@H]3c3ccc(Cl)cc3)n2)cc1 1857604822 UFMBHHXTUILQGO-IBGZPJMESA-N 402.329 4.874 0 1 HJAF CCOC(=O)C1=C2CC[C@@H](C)N2C(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857637846 YAJJXYMKLMMJQC-DIFFPNOSSA-N 419.909 4.739 0 1 HJAF CC(=O)O[C@@H]1C=C(C)CC(=O)C[C@H](C)C=C[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@H]12 2356449886 BIVURAJWBKYIFM-WGGDYJNHSA-N 404.547 4.794 0 1 HJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6O)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356835017 KNGAXTVTDIELJV-NDDGMJOVSA-N 424.581 4.512 0 1 HJAF Cn1c(O)c(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)c(=O)c2ccccc21 3846490 XIVQLQWNIBECDV-LJQANCHMSA-N 401.491 4.661 0 1 HJAF biogenic O=C(O)c1cccc(-c2ncnn2-c2cc(Cl)ccc2OCc2ccccc2)c1 40564382 YZYJORNXXMKHBW-UHFFFAOYSA-N 405.841 4.865 0 1 HJAF CNc1nc(-c2cccc(NC(=O)Nc3cc(Cl)ccc3OC)c2)cn2ccnc12 49034330 HOWJUTADDWLXSE-UHFFFAOYSA-N 422.876 4.744 0 1 HJAF CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](NCCN1CCCC1)C2 64372992 LLSXDPCIBNMKAU-MGDIVGHDSA-N 417.641 4.722 0 1 HJAF O=c1cnc2cc(N3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]1 72107333 XLMZUULHPTUBEG-UHFFFAOYSA-N 403.511 4.781 0 1 HJAF Cn1c(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)cc2ccccc21 82152805 ZXTBBQGJJBRESR-UHFFFAOYSA-N 404.857 4.731 0 1 HJAF CC(C)Cc1nnc(NC(=O)c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)s1 101501653 XMKGIRXDLXONLW-GASCZTMLSA-N 401.532 4.737 0 1 HJAF c1ccc(COC[C@@H]2O[C@@H]3c4ccccc4CO[C@H]3[C@H]2OCc2ccccc2)cc1 105480993 DDSMNKYRACJCFU-ROXDYWFKSA-N 402.490 4.828 0 1 HJAF CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 114711425 QVZMSIDPIZRELE-UHFFFAOYSA-N 410.543 4.913 0 1 HJAF CONC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 136286653 KKJCDJULBOTJNL-FMIVXFBMSA-N 402.479 4.571 0 1 HJAF Cc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)nc(N(C)C)n1 204842986 HZLYUDCSKZIPFV-UHFFFAOYSA-N 414.300 4.840 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(C)c3)n3c2CCO[C@H](CF)C3)ccn1 221022706 UBPRWPMYKSNHOG-QGZVFWFLSA-N 417.431 4.741 0 1 HJAF Cc1csc(SCc2ccc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2)n1 587020840 FRNNKIUIJYWFRN-UHFFFAOYSA-N 415.565 4.691 0 1 HJAF O=S(=O)(Nc1ccsc1-c1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 587171092 XVBZEKGADOTTCX-UHFFFAOYSA-N 407.879 4.885 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587190513 KWXFEPPAMRUFQL-FQEVSTJZSA-N 409.486 4.681 0 1 HJAF Cn1cccc1C1(c2cccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343016 QWTCJODILVGIPF-QHCPKHFHSA-N 416.452 4.511 0 1 HJAF COC(=O)c1ccccc1-c1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444050 RNSNABUXBZOULZ-HYBUGGRVSA-N 400.430 4.638 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cnc(Cl)s4)cc1)[C@@H](C2)C3=O 587453555 XEVCMDGZKIANIG-JXFKEZNVSA-N 413.882 4.873 0 1 HJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1CCCO1 587580327 XDNLXYPESAQSKA-JCNMPKRYSA-N 419.477 4.692 0 1 HJAF CCc1nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587588644 UHUJNAYDSPYBBL-RDPSFJRHSA-N 401.418 4.973 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(O)CCCCC1 587608257 KSIGPWPJXRKOSJ-NVQXNPDNSA-N 416.473 4.945 0 1 HJAF Cc1cc(Cl)ccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656937 MSFPILHRYADHKU-UHFFFAOYSA-N 422.843 4.884 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(C(F)(F)F)N1 587711064 VRDJRIZYCCUAEO-FVMDXXJSSA-N 403.217 4.511 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1 587723632 YFPIZPSXNCMEKT-CKPWKLJSSA-N 410.155 4.907 0 1 HJAF Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746310 MJMJMSMBYUSIOI-MQJDWESPSA-N 414.322 4.655 0 1 HJAF COc1ccc(C=O)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587787182 KYEYKNNZNSHCCI-UHFFFAOYSA-N 415.165 4.712 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC=C2OCc2ccccc2)N1 587840283 XYWPOIAFMMJBOM-QKKBWIMNSA-N 416.290 4.920 0 1 HJAF CCOC(=O)[C@]1(/C=C/c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587851476 CECMYMUGUUTREN-JFLYBGDZSA-N 424.335 4.656 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CCCC2 587869849 TYYZYWPLAXXDQI-UHFFFAOYSA-N 407.417 4.601 0 1 HJAF CC[C@]1(Cc2nc3c(F)cnc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587960626 MUUVTBPHVOTMDS-LJQANCHMSA-N 402.267 4.628 0 1 HJAF COc1cccc(-c2coc3cc4oc(=O)c(-c5nsc(=O)o5)c(C)c4cc23)c1 1857569380 AKSLMGSABBCNDK-UHFFFAOYSA-N 407.403 4.600 0 1 HJAF COc1cccc(-c2ncc3ccccc3c2COC(=O)c2ccccc2C(=O)O)c1 36388743 HVSBZCNYDBXJPW-UHFFFAOYSA-N 413.429 4.966 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F 4049533 BDYSUNLBKWDTPA-PKOBYXMFSA-N 419.294 4.596 0 1 HJAF O=C(OCc1nnc(-c2ccccc2)o1)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 13136576 RCXRGKOZABDDAC-LWYUSKRHSA-N 417.303 4.514 0 1 HJAF COc1ccc(/C(=C\c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C(=O)O)cc1 13609266 ARMQYUGCJSKATI-XYOKQWHBSA-N 406.221 4.807 0 1 HJAF CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 13673882 ZQHLJZUCUJZZRV-UHFFFAOYSA-N 405.498 4.608 0 1 HJAF O=C(Cc1ccccc1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 13686216 NUWCFGTWEDHTKQ-UHFFFAOYSA-N 400.522 4.802 0 1 HJAF COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)ccc1O 20028841 UHMCEGHJRSXJRY-QFIPXVFZSA-N 424.541 4.858 0 1 HJAF COCO[C@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 28475567 LHSZBYIVFZJSTN-OOYIDZMOSA-N 401.934 4.670 0 1 HJAF Cc1csc(-c2cc(-c3c(C)noc3C)c3n(c2=O)CCCc2ccncc2-3)n1 29405795 JTGPXCIJDIEQSX-UHFFFAOYSA-N 404.495 4.560 0 1 HJAF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82133221 PWDCHYCKSLADMC-UHFFFAOYSA-N 418.516 5.000 0 1 HJAF COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(SC)cc1 96176956 KGBDFGPALQILEO-SFHVURJKSA-N 408.527 4.583 0 1 HJAF Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3c(C)cccc23)C(F)(F)F)c(C)c1 103253863 HMYGXGUMESBWOB-GOSISDBHSA-N 424.488 4.853 0 1 HJAF Fc1ccc(CCCc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F 103303123 LRAREZHFBCZJIU-UHFFFAOYSA-N 416.378 4.846 0 1 HJAF CCCOC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 144174108 OCUXEFWCUPHQES-UHFFFAOYSA-N 403.482 4.824 0 1 HJAF Cn1cc(-c2cc(C(=O)Nc3cccnc3)c3cc(-c4ccccc4)ccc3n2)cn1 150092213 NRYOCNWNHYVQIU-UHFFFAOYSA-N 405.461 4.950 0 1 HJAF Cc1ccc(-c2noc(C3CC(C)(C)C3)n2)cc1NC(=O)c1cnc2ccccn12 206105827 CYRMRQSGQSZIHP-UHFFFAOYSA-N 401.470 4.849 0 1 HJAF COc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586921817 NUJXBHGQQWJBOD-UHFFFAOYSA-N 412.898 4.866 0 1 HJAF Cc1c(F)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586962667 YBTDYSDKYPZFTC-YSSFQJQWSA-N 413.518 4.705 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)(C)C 587206205 VSAPSGREXFNHBX-FQEVSTJZSA-N 423.561 4.876 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2ccc(I)cc2[nH]1 587229186 RCSJWMJMHRDFEL-UHFFFAOYSA-N 421.282 4.529 0 1 HJAF Nc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc2n1 587254768 YUHTWLIUFFEUKZ-UHFFFAOYSA-N 423.192 5.021 0 1 HJAF Cn1cc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2n1 587342465 NPWPJCDPXLURDR-LADGPHEKSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587427995 KZEJLWCRVSTSHL-BXKMTCNYSA-N 421.493 4.658 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)[C@@H](C2)C3=O 587446290 BONMJFJWWDDISU-MLUNNPJHSA-N 414.457 4.575 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1nc4ccc(Br)cc4s1)[C@@H](C2)C3=O 587453952 SYTUQKLOXORNEJ-APPDUMDISA-N 402.269 4.556 0 1 HJAF COc1ccc(C[C@H](C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556010 UDTUHTBAJOLNIM-KLGSUFROSA-N 408.425 4.749 0 1 HJAF COc1ccc(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601024 PXRWDAJTYSVQLW-DHLKQENFSA-N 402.446 4.903 0 1 HJAF O=C1c2ccccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603272 LIPGABQYOZBYMZ-HSZRJFAPSA-N 420.420 4.842 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2N2CCCC2)N1 587715307 CEJQWRHDJRBWBN-FKIZINRSSA-N 407.302 4.951 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCN(C)C)c2)N1 587741848 PHNCEZYBQVKHSY-SZNDQCEHSA-N 421.354 4.542 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(N)c2)N1 587746669 NQJUMWGPFSNFDY-RCDICMHDSA-N 411.318 4.997 0 1 HJAF CCCCC[C@]1(c2cn(C)nc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587755250 HGBFUXSSJPGVON-RNODOKPDSA-N 408.359 4.988 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(OCC3CC3)c2)N1 587811320 WUDRABMEHYOBQD-PRWKNARSSA-N 406.295 4.706 0 1 HJAF CC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812127 IHSNPXUPSWBUCZ-GTXQTCRKSA-N 404.323 4.786 0 1 HJAF COc1cc2c(cc1OC)[C@@](c1cc(C)ccn1)(c1ccccc1OC)N(C)[C@H](C)C2 962616741 BLGMXILKICOSSP-WXTAPIANSA-N 418.537 4.584 0 1 HJAF CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@@H]1NCCc2cc(Cl)ccc21 963381040 NZEVXARWBJWQMU-MRXNPFEDSA-N 411.855 4.974 0 1 HJAF COc1ccc(-c2oc3ccccc3c(=O)c2OCCCCN2CCCC2)cc1OC 1857769912 XXXUWQUBELIMSI-UHFFFAOYSA-N 423.509 4.732 0 1 HJAF COc1cc(OC)c([C@H]2[C@H](C)[C@H](C)[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 6067053 WCERJEZPIONOJU-HFSFOFKDSA-N 416.514 4.891 0 1 HJAF endogenous,in-man COc1cc(C[C@H](C)[C@@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)ccc1O 14646528 VUUHIXIUHGVFKO-JIQFQSSQSA-N 402.487 4.537 0 1 HJAF biogenic Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)cc(C)n1 26571207 FYMAWSYHDMCPIK-UHFFFAOYSA-N 406.388 4.646 0 1 HJAF COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)cc1OC 28472688 WDQMJOZFPRCKGG-UHFFFAOYSA-N 400.482 4.909 0 1 HJAF COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1OC1CCN(C)CC1 28572052 KLRDWNMMZDDJGS-UHFFFAOYSA-N 416.884 4.648 0 1 HJAF O=C(Nc1ccc(Cl)cc1)c1cc(Br)cnc1NCc1ccncc1 28957038 GPFCIUJVYMETBL-UHFFFAOYSA-N 417.694 4.757 0 1 HJAF COP(=O)(OC)O[C@@H](C(C)(C)c1ccc(Cl)cc1)P(=O)(OC)OC 29222391 QTUHAXZQKRIRQV-CYBMUJFWSA-N 400.732 4.847 0 1 HJAF CC[C@H](C)C[C@H](C(=O)N/C=C\c1c[nH]c2ccccc12)N(C)Cc1ccc(O)cc1 29415543 WLLVVSXRRHFJGE-PLDBPYOHSA-N 405.542 4.897 0 1 HJAF COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[C@@H](C)[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 31900106 JQULSAYEPOTISD-FSPCZILKSA-N 414.505 4.983 0 1 HJAF O=S(=O)(Cc1ccccc1)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc12 59242727 FCZMDDWDVXBQKL-XMMPIXPASA-N 402.519 4.645 0 1 HJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1ccccc1 73197379 LZLZNWVEPICRAJ-DJCPXJLLSA-N 411.567 4.595 0 1 HJAF CCSc1nc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)[nH]1 96906254 OKBYSOOLAXVPCK-UHFFFAOYSA-N 400.500 4.890 0 1 HJAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cccs1 109643874 WDFUHXWAFLOMHJ-UXHICEINSA-N 423.921 4.596 0 1 HJAF O[C@@H]1CCN(Cc2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 139079198 PDQFNEKPCJAYRG-GOSISDBHSA-N 418.522 4.794 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2cccnc2)c1 166827197 HMAWMGSERKTLSM-LAUBAEHRSA-N 402.494 4.876 0 1 HJAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(N2CCCCC2)c1 167534246 QXRWNWHIOABJLL-WIYYLYMNSA-N 408.542 4.804 0 1 HJAF CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC/C(C)=C/C(=O)O)C(C)=CC[C@@H]2C(C)(C)[C@H]1OC(C)=O 238782428 RIVHNPMZWXZMQB-JVGZWRATSA-N 420.546 4.680 0 1 HJAF CN(C(=O)C1(C(=O)N2CCCc3ccccc32)CC1)c1cc(Cl)ccc1Cl 299825857 CMZPQXQHRWHNBS-UHFFFAOYSA-N 403.309 4.716 0 1 HJAF OCC12CCC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)(CC1)CC2 586895432 GWJUDIWOWHMTKJ-UHFFFAOYSA-N 419.241 4.808 0 1 HJAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5ccccc5[nH]4)[nH]c23)cc1 586953985 WGDXUCHUKIUCRL-UHFFFAOYSA-N 418.478 4.521 0 1 HJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nc(Br)sc3C3CC3)nc1-2 587011661 BAVACPLMILFCGO-UHFFFAOYSA-N 424.633 4.740 0 1 HJAF Cc1cc(Br)cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 587131960 GTNZWKHDFVWUGE-NSHDSACASA-N 416.266 4.603 0 1 HJAF COC(=O)c1ccc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2c1OC 587160195 LKNWGHZKGVQLNX-UHFFFAOYSA-N 406.413 4.840 0 1 HJAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587170372 POPROSMTOLYDKJ-JTQLQIEISA-N 418.437 4.891 0 1 HJAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)c(Cl)ccc2[nH]1 587181675 ZIRJKXVTBXMPGO-MRVPVSSYSA-N 414.678 4.964 0 1 HJAF CN(CCc1nc2cc(F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194330 QEVFTFXJHPXLQA-UHFFFAOYSA-N 416.456 4.520 0 1 HJAF CC(C)(C)OC(=O)NCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335839 LLSTWNKPOPVKII-AUSIDOKSSA-N 415.461 4.564 0 1 HJAF COC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587352006 NRVCKKFYBWCZMA-ZJSXRUAMSA-N 406.409 4.592 0 1 HJAF CCCCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587398805 FFSLGBQXUAJCPP-DEOSSOPVSA-N 411.498 4.872 0 1 HJAF O=C1CC2(CCN(C(=O)c3ccccc3Cl)CC2)Oc2c1ccc1c2CCCC1 587504062 IEAPSGLQWPTIER-UHFFFAOYSA-N 409.913 4.859 0 1 HJAF Cc1cccc(-n2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 587581527 LVBPMOSAHWAUOZ-RCZVLFRGSA-N 412.445 4.763 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)C 587599012 ZPDLWNYSMRESOH-XUZZJYLKSA-N 406.434 4.891 0 1 HJAF O=C(O)c1cccc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587613258 XTXBSEILUVYPGX-QPPBQGQZSA-N 412.397 4.947 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3nccc-3c(Cl)c2F)N1 587724874 AAMSXSLPPBUGKR-NZFNHWASSA-N 412.665 4.832 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)nc2F)N1 587739310 VETPXLOEAYATBX-ODXCJYRJSA-N 422.317 4.520 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(\N)c2ccco2)(C(C)(C)C)N1 587746549 GWMGQEPLAXTLJJ-FNACSESGSA-N 407.327 4.957 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2CCc2ccccn2)N1 587752795 GETIXAWIUXALDB-QKKBWIMNSA-N 414.322 4.651 0 1 HJAF Cc1ccccc1N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587765015 BDQVDLYCLWTSSR-OAHLLOKOSA-N 403.339 4.927 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(O)sc3c2)N1 587855550 GPQIQKWESOGGPA-LZVRBXCZSA-N 407.308 4.701 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1c(C)nn(-c3ccc(F)cc3)c1C)N(C)[C@H](C)C2 962563337 FWCWQRWVUWFENW-SHACYNPGSA-N 409.505 4.611 0 1 HJAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)c2ccsc2CCN1Cc1cccnc1 963002601 CMRMTOVEFFCQKJ-HSZRJFAPSA-N 410.514 4.537 0 1 HJAF Fc1ccc([C@@]2(CCC3OCCCO3)c3ccc(F)cc3C[C@H]3CCCN32)c(F)c1 963096676 GAFFJKQXHFNWCO-NTKDMRAZSA-N 417.471 4.911 0 1 HJAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cccc2nc[nH]c12 963862895 JJTVJQNYJGIXAQ-OPAMFIHVSA-N 421.497 4.597 0 1 HJAF COc1ccc2cc([C@H](C)C(=O)OCCOc3ccc4oc(=O)ccc4c3)ccc2c1 1857590886 YEPXPARTWWNCTB-INIZCTEOSA-N 418.445 4.681 0 1 HJAF NC(=S)c1cccc(-c2cn(CC3C[C@H](F)[C@@H](F)C3)c3cc(CO)ccc23)c1 1857615958 OIQDYYRJSCOVRQ-PMACEKPBSA-N 400.494 4.521 0 1 HJAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 774063 SRJHVQYOXVVFAO-IBGZPJMESA-N 408.498 4.641 0 1 HJAF CN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1 6018056 YMMCZDDFGLZQRH-SJORKVTESA-N 419.780 4.891 0 1 HJAF CC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c(CC=C(C)C)c(O)c12 14586092 AJZWPTPGSNWUME-INIZCTEOSA-N 416.470 4.566 0 1 HJAF biogenic Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 28890138 IYVRPMQBHXYLDA-UHFFFAOYSA-N 410.783 4.915 0 1 HJAF O=S(=O)(Nc1cc(-c2ccc3sncc3c2)cnc1Cl)c1ccc(F)cc1 72177967 HUCJJEYDZOJTRN-UHFFFAOYSA-N 419.890 4.952 0 1 HJAF CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1 82188510 VOXWPLGOPSETCH-IBGZPJMESA-N 414.557 4.878 0 1 HJAF O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 84652837 UAKBNSWUCZIZEW-AMVNJJHCSA-N 405.369 4.872 0 1 HJAF C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)C[C@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O 95908896 PKZDHQQHMWMSHL-SFKXEOKJSA-N 420.546 4.686 0 1 HJAF biogenic,in-vitro CCOC(=O)C1=C(CC)N=C(CC)/C(=C(/O)OCC)[C@@H]1c1cccc(-n2ccnc2)c1 100035689 OEWJGOOOPDETEZ-SSRRSSPNSA-N 423.513 4.854 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(N2CCCCC2)c1 167534353 QXRWNWHIOABJLL-RXVVDRJESA-N 408.542 4.804 0 1 HJAF C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H](CC[C@H]3O[C@]32C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]1C 169348822 URRSOXWGRAMYOW-GACOYEMDSA-N 416.558 4.748 0 1 HJAF C[C@H]1C[C@@H]2CC(=O)N[C@@H](c3ccccc3)[C@@H](C)/C=C\CC(=O)N2[C@@H]1c1ccccc1 169354624 KZQIDWVGSIGTGJ-ZBDCIZOWSA-N 402.538 4.808 0 1 HJAF COc1cc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1 205175330 CDQMJQBQACODEJ-XMMPIXPASA-N 416.477 4.584 0 1 HJAF C[C@@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 208581983 KQRDIJJCEPLGDK-GFCCVEGCSA-N 414.820 4.856 0 1 HJAF COc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@@H]3CCCNC3)cc12 220427605 RSSOIIXUGBOALH-GOSISDBHSA-N 413.525 4.713 0 1 HJAF CC(=O)O[C@H]1c2c(C)coc2C/C(C)=C/CC[C@@H](C)[C@@H]2CC[C@](C)(O2)[C@@H]1OC(C)=O 238770404 KUTORQUTGLZWRR-JUSMAWQFSA-N 418.530 4.980 0 1 HJAF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 587056906 VYBDHRAIAMQIHK-JTQLQIEISA-N 416.268 4.956 0 1 HJAF CC1=C(c2ccc3nc([C@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587112222 DPIDSFVBNHXYMG-CYBMUJFWSA-N 414.431 4.683 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587202284 DVKZPRJFMFZQFY-UHFFFAOYSA-N 406.273 4.782 0 1 HJAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1C 587334694 KCIAWRJWKNWYER-XUZZJYLKSA-N 407.441 4.705 0 1 HJAF CCOC(=O)C[C@@]1(CC2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343967 ATTUTZKMYHUUEM-ISKFKSNPSA-N 412.457 4.772 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583119 QIZZQBDHYVSGDF-RNHNHXFSSA-N 415.489 4.635 0 1 HJAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC)c1 587598361 UDXWROKWADTXTF-QPPBQGQZSA-N 406.434 4.893 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Br 587611565 GJUMBKKCOLKZPB-RHSMWYFYSA-N 403.253 4.919 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2N)(C(F)(F)F)N1 587707056 SHTDYZKYWSZPPX-BCTVWOGZSA-N 421.207 4.650 0 1 HJAF COc1cc(-c2cccnc2F)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n12 653782478 HDPASTSLENKNQX-UHFFFAOYSA-N 417.419 4.910 0 1 HJAF COc1cccc(-c2ccc3c(c2)CC[C@H](CN(C)C)[C@@]3(O)c2cccc(OC)c2)c1 653816949 APNKUJULULAMPI-KCWPFWIISA-N 417.549 4.731 0 1 HJAF Brc1c([C@H]2NCCc3cc(-c4ccccc4)ccc32)nc2ccccn12 962670222 QVGKLNGTGATRGA-FQEVSTJZSA-N 404.311 4.999 0 1 HJAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCSc2ccccc21 1772580978 YXZAEYSGTUSGNZ-UHFFFAOYSA-N 412.536 4.910 0 1 HJAF CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@H](O)CC)c1 774724 HUCVKWUSEFTNRW-OAHLLOKOSA-N 414.889 4.561 0 1 HJAF COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(F)cc1Cl 2480479 DKMLDNSFTVSORW-UHFFFAOYSA-N 418.852 4.576 0 1 HJAF COc1ccc(C)cc1NC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 8611698 NDJCELXKALNCQQ-UHFFFAOYSA-N 415.493 4.528 0 1 HJAF C[C@H]([C@@H]1CCCCN1)[C@@H]1[C@@H](O)C[C@@H]2[C@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 8681872 IFAGKOAMVIWQMA-HRAULCIJSA-N 401.635 4.531 0 1 HJAF CCCC[C@@H](CC)COC(=O)c1c(NC(=O)C(C)C)sc2c1CCN(C(C)=O)C2 13443706 XUTORUGIORUKIK-MRXNPFEDSA-N 422.591 4.620 0 1 HJAF CN(C)c1ccc(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)cc1 13863644 PMNJESPVKWSYKA-UHFFFAOYSA-N 415.585 4.924 0 1 HJAF CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22442036 JMPFLCLLMDQYKW-FPOVZHCZSA-N 408.464 4.955 0 1 HJAF c1ccc(CCCNCCCNCCOC(c2ccccc2)c2ccccc2)cc1 26573280 RVOPIBKTACJLBU-UHFFFAOYSA-N 402.582 4.995 0 1 HJAF CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 26653911 FCLSZONAKCHQJY-UHFFFAOYSA-N 411.571 4.948 0 1 HJAF COc1ccc2c(OC(=O)C(C)(C)C)c(OC)c(OC)c(OC(=O)C(C)(C)C)c2c1 29319693 WMFADYSBJVNUBN-UHFFFAOYSA-N 418.486 4.769 0 1 HJAF CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NC3CCCCCC3)ncnc21 82190612 ARERBMIRVVIJMK-HXUWFJFHSA-N 419.577 4.507 0 1 HJAF CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(F)ccc34)cc2OC)cn1 84634483 MPZNWDCJFYRKFH-UHFFFAOYSA-N 420.444 4.572 0 1 HJAF Cc1cccc(NC(=O)Nc2ccc(-c3ccc4c(-c5cn[nH]n5)n[nH]c4c3)cc2)c1 93540174 UVZCZACZWWJXAZ-UHFFFAOYSA-N 409.453 4.967 0 1 HJAF CC(C)[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 96932401 NIGYINYFBYFWJV-INIZCTEOSA-N 415.704 4.746 0 1 HJAF O=C(NCCc1ccc(Cl)cc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103898201 KNTFBYIRWVPLMR-UHFFFAOYSA-N 422.941 4.828 0 1 HJAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)cc(Br)c3[nH]2)cc1 586969981 DNXKTWINQHKSFG-UHFFFAOYSA-N 418.360 4.857 0 1 HJAF Nc1ccc(-c2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)cc1N 587004411 UPJRAVPDHFSKRD-UHFFFAOYSA-N 419.286 4.700 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 587022096 ULGKWSUUFOHQPL-UHFFFAOYSA-N 417.288 4.539 0 1 HJAF C/C(=C\[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587341964 ZZLVJSRGAMVJMA-AGZMBGAISA-N 418.468 4.646 0 1 HJAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(O)c1OC 587350782 LLZUVJDBUYKFAQ-QPPBQGQZSA-N 424.424 4.528 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2Oc2cc(O)cc(O)c21 587378180 AKBNJQJSQIIJSW-QFIPXVFZSA-N 409.825 4.657 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4c(c3)CCCC4)nc3ncccn13)O2 587393313 FVBZUAQPIGRDJZ-QFIPXVFZSA-N 424.504 4.872 0 1 HJAF O=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587512983 HFJAOTACOIAPIG-UHFFFAOYSA-N 405.494 4.702 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c(COc3cccc(C)c3C)nc2c1 587564239 PFKZZSDQCZTTGF-UHFFFAOYSA-N 403.276 4.698 0 1 HJAF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587572717 QHGGZEDIVABIBH-XUZZJYLKSA-N 405.450 4.647 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(COCc1ccccc1)C2 587589828 APZOCWJFRQLGPY-WOVMLBJDSA-N 402.446 4.719 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(F)F)c2)N1 587721121 VXLMEBYAIRTDAC-MGNBDDOMSA-N 400.238 4.856 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2)N1 587729789 DKRDYGYZIHPXOC-ZSEKCTLFSA-N 415.281 4.948 0 1 HJAF Cc1cc(-n2cccn2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756711 FCVQBKAZXOKRNV-XCLFUZPHSA-N 400.295 4.706 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(c2ccccc2)N1 587815872 QVXWWLFJXMYJPP-LRTDBIEQSA-N 402.307 4.735 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825102 FPTPVCVSZNLIGJ-RLXXNNDISA-N 408.355 4.669 0 1 HJAF CCOc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587834579 LKLCWOZNDOWLAB-FKIZINRSSA-N 406.295 4.547 0 1 HJAF CO[C@@H](C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)[C@@H]1CCCN1C 653679762 DNTTVASNLYWRSO-UNMCSNQZSA-N 422.598 4.684 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@@]2(NC3(CC3)Cc3ccc(Br)cc32)C1(C)C 961610216 AYBMRZZQVRBJSK-NRFANRHFSA-N 421.379 4.742 0 1 HJAF O=C(Nc1ccc2[nH]nc(-c3ccc4c(ccn4CCO)c3)c2c1)c1ccc(F)cc1 1857581788 JBVYRMSLUJNKQF-UHFFFAOYSA-N 414.440 4.568 0 1 HJAF CCCOc1cccc([C@@H](CCO)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1 1857618634 KTCGVJZCQDDIRO-JOCHJYFZSA-N 408.473 4.530 0 1 HJAF Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)nc1 1857764353 YXLIDCQZGZHKGV-UHFFFAOYSA-N 404.901 4.549 0 1 HJAF COC(=O)CC(=O)OCC=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 2356494385 BSFKELIWSIJBDC-RJADORODSA-N 408.579 4.813 0 1 HJAF CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC[C@@](C)(OC(C)=O)[C@H]21 2356579536 DQDZRAFQWKGBTQ-RSDUFEJWSA-N 406.563 4.826 0 1 HJAF Clc1cccc(-c2cnc([C@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)c1 2356654615 DVJIOBDBZSKFHV-JOCHJYFZSA-N 404.901 4.852 0 1 HJAF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1 767189 MTLJQVXKVYFBHK-FYYLOGMGSA-N 402.494 4.985 0 1 HJAF CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)ccc1OC 776212 AWMFVEBWFBXMSA-UHFFFAOYSA-N 412.486 4.612 0 1 HJAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN2CCCC2=O)cc1 2483461 OSPWYUJLLTXYMY-UHFFFAOYSA-N 411.546 4.505 0 1 HJAF CC(=O)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccccc3)oc2c1CC=C(C)C 15115137 BLRHTHLZFUHZAP-UHFFFAOYSA-N 406.434 4.819 0 1 HJAF biogenic CC(=O)OC[C@@H](O)COC(=O)[C@@H]1[C@@H](C)CC[C@@]2(C)[C@@H]3CCCC(C)(C)C3=CC[C@@]12C 33902530 MBGNGXKKJHWNGZ-UGXBWEKSSA-N 420.590 4.669 0 1 HJAF CC(C)n1c(=O)nc(-c2ccc(OCc3ccccc3)cc2)c2cc3c(cc21)OCO3 40465090 KWZWEIDVBWBIIL-UHFFFAOYSA-N 414.461 4.952 0 1 HJAF CN(C)c1cccc([C@@H](O)c2nnc(Nc3cc(C(F)(F)F)ccc3F)s2)c1 82078432 YBEUIGVLBZQFKP-OAHLLOKOSA-N 412.412 4.587 0 1 HJAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 82156942 CMYAWIAIXCHVSG-GDNBJRDFSA-N 411.093 4.838 0 1 HJAF C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1 95911931 ZCRRJRCFTGPOMI-RGSGJEPJSA-N 413.646 4.771 0 1 HJAF biogenic,in-vitro COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 96172027 HKRLISVFTJMOMH-UKRRQHHQSA-N 417.493 4.510 0 1 HJAF CC(C)Oc1cc(CC(=O)c2ccc(Cl)cn2)cc([C@@]2(C)CCSC(N)=N2)c1 96174370 GBDZSUMCULMHBH-OAQYLSRUSA-N 417.962 4.614 0 1 HJAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc(Br)s3)cc2)C[C@H]2CC[C@H]1N2C 101008719 LUFCSMMNKWCPJV-YYAJDYIMSA-N 420.372 4.917 0 1 HJAF Cc1csc(Sc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)n1 114813686 WWWFZSRTGFDSLC-UHFFFAOYSA-N 419.578 4.678 0 1 HJAF CN(c1nc(C(C)(C)C)cs1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118884186 KOMGKPCQMFSOBS-CQSZACIVSA-N 415.534 4.613 0 1 HJAF COc1cc([C@@H]2c3c(c(O)n(-c4ccccc4)c3O)ON2c2ccccc2)ccc1O 169687503 BVVXOUGYIKKZFE-OAQYLSRUSA-N 416.433 4.506 0 1 HJAF O[C@@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 169703776 PXLSBJXLXDNYKQ-DLBZAZTESA-N 412.896 4.874 0 1 HJAF CC1=CCC[C@H]2[C@@]1(COC(=O)CCC(=O)O)CC[C@@H](C)[C@]2(C)CC/C(C)=C/CO 238737174 ZHDNTNMAWDHSRT-SWFJQKAYSA-N 406.563 4.892 0 1 HJAF C/C=C\c1ccc(O[C@@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1 238765433 PYVVKTYHVHGNMI-BLRZFVMKSA-N 400.471 4.817 0 1 HJAF CC(C)c1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1 473090811 PLXCPNJNLUUBQE-QKDCVEJESA-N 419.447 4.947 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1 586903442 OZBVSQWXNSWGJY-KNQAVFIVSA-N 400.434 4.711 0 1 HJAF CCOC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C1CCCC1 586989429 IMIIRLJJDOFASV-OAQYLSRUSA-N 401.462 4.989 0 1 HJAF Cc1ccc2c3c(cc(CC(=O)Nc4ccc5c(c4)OCO5)nc13)-c1ccccc1C2=O 586996138 MZMAWGKHERSZEM-UHFFFAOYSA-N 422.440 4.665 0 1 HJAF COC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 586998548 MOFJLMGESWYXNX-XFFZJAGNSA-N 424.254 4.937 0 1 HJAF Cc1ccc(-c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c3cccc(Cl)c3n2)o1 587081965 ALKOOYVVFZYRQA-UHFFFAOYSA-N 411.252 4.807 0 1 HJAF Oc1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587084490 AYVQOLFAJLVONS-UHFFFAOYSA-N 401.651 4.808 0 1 HJAF Cn1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1C(F)(F)C(=O)O 587103498 IRYFYQZUCBPURT-UHFFFAOYSA-N 404.372 4.628 0 1 HJAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587113659 RRTHZUSQNBXRHR-OAQYLSRUSA-N 401.432 4.860 0 1 HJAF COC(=O)c1cc2nc(Cc3ccc(OC)cc3F)[nH]c2c(F)c1Nc1ccccc1 587150120 ZJMVJPHAFLTFNL-UHFFFAOYSA-N 423.419 4.971 0 1 HJAF CCCOc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br 587167118 MTOWPGSZIXTKGD-BQYQJAHWSA-N 418.266 4.905 0 1 HJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1 587192721 ZZHMWLHTMJNRHC-INIZCTEOSA-N 417.307 4.677 0 1 HJAF O=C(Cc1cc(Cl)ccc1Cl)c1c(CO)oc2cc(Br)cnc12 587275496 CEHJAFVHWYUAFC-UHFFFAOYSA-N 415.070 4.815 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(C(=O)O)c(F)c3)c1)O2 587386206 ULHTZZWJUNFGPR-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cnc(Cl)s3)cc1)O2 587411094 AWLHDCINROTHNK-SFHVURJKSA-N 400.887 4.973 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587418172 BCQXKRKUCZUSSY-SCLBCKFNSA-N 416.861 4.579 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1SC 587614328 RVQRWBIAOLXUQP-OFNKIYASSA-N 424.474 4.834 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(O)cc2)n1 587614731 SXTDXQWTWJKCMY-UGKGYDQZSA-N 417.442 4.924 0 1 HJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncc1Br 587685967 RRXIJPVYUPOZEN-XXFAHNHDSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ccc(F)cc2)N1 587736652 WQVQYFIUHQBZDQ-WLRWDXFRSA-N 404.258 4.537 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)CC[C@H]2C)N1 587770778 UJNMWWAVXLODDG-XCGNWRKASA-N 417.366 4.860 0 1 HJAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2c1 587782287 RRUMABAIOFDNOZ-UHFFFAOYSA-N 422.506 4.611 0 1 HJAF Cc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587832101 YQVJLEFJOSUNPU-QKKBWIMNSA-N 420.322 4.929 0 1 HJAF Fc1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Br)n3)cc2)cc1F 653753996 OFFGRVUDOBRPPR-UHFFFAOYSA-N 419.185 4.960 0 1 HJAF CC(C)CCn1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)n1 962636735 OIRNPOONEFISRM-ZEQKJWHPSA-N 400.570 4.766 0 1 HJAF COc1cc2c(cc1OC)[C@H](CC(C)(C)SC)N(C(=O)c1ccccc1N)CC2 963156086 NVILDMKTPCVEOM-IBGZPJMESA-N 414.571 4.557 0 1 HJAF Cc1cccc(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CC1 1857574243 JQWSOVRNMXZNNM-QFIPXVFZSA-N 403.526 4.641 0 1 HJAF CCc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c(=O)c3CN2c2ncccn2)s1 1857762382 LPXOJQBTADAVAM-LJQANCHMSA-N 408.914 4.705 0 1 HJAF COc1ccc2c(c1)c([C@@H]1CC(c3ccccc3)=NN1C(=O)c1cccnc1)cn2C 1857769415 DHQKDMZWCGDIQM-DEOSSOPVSA-N 410.477 4.573 0 1 HJAF C=CC(C)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@@H](O)[C@@]1(C)O 2356492979 HAZCIIROBOIRCJ-RLBPEOPASA-N 404.591 4.961 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)CC[C@H]2Cc3occ(C)c3C[C@]21C 2356677180 KBUUBOOGAZPPCR-SUMPXDKOSA-N 402.531 4.939 0 1 HJAF O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 13478292 PKFZPFDFKLAVQY-INIZCTEOSA-N 416.321 4.534 0 3 HJAF c1ccc(-c2cc(N(CCCN3CCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 13437436 NBYAEDFZTJFASW-UHFFFAOYSA-N 419.525 4.953 0 1 HJAF CS(=O)(=O)N(CCCN1CC=C(c2ccccc2)CC1)c1cccc2ccccc12 13823452 SCPNMTOXHVHEIH-UHFFFAOYSA-N 420.578 4.785 0 1 HJAF Cc1ccccc1-c1ccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1 14536596 WKFSCMQNIDESEN-UHFFFAOYSA-N 419.569 4.547 0 1 HJAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)O 27109269 NBJQHPFIQOMXMR-OBHPCNEJSA-N 419.380 4.699 0 1 HJAF OCCCN1CCN([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 28087253 DFXIUCBFFHVYGQ-UGKGYDQZSA-N 405.369 4.570 0 1 HJAF COc1ccc(-c2nc(C)c(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2C)cc1 28952005 BJLNPRUDFNWMEP-IBGZPJMESA-N 420.509 4.530 0 1 HJAF O=C(Cc1c[nH]cn1)Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 45168596 UPUBVQZDKZSJBW-UHFFFAOYSA-N 411.440 4.940 0 1 HJAF Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(Cl)cc2c1=O 73141193 OLIKWRPYTRHRMV-UHFFFAOYSA-N 413.901 4.874 0 1 HJAF C[C@](O)(c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1)c1cccc(F)c1 96168098 ZYNQUJFRZMJWDU-DEOSSOPVSA-N 402.473 4.641 0 1 HJAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccc(F)cc2)cc1 100106952 PQYLESADGCUBSG-BKFWDETESA-N 401.485 4.773 0 1 HJAF O=C1Nc2cc(F)ccc2[C@@H]1CCCCN1CCN(c2ccc(Cl)cc2)CC1 101446202 HTDJOEOPMIBGKQ-FQEVSTJZSA-N 401.913 4.507 0 1 HJAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)c2ccccc21 103225236 XRSVQCVOLXXZHN-OFVILXPXSA-N 414.549 4.642 0 1 HJAF O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCCC2)c(-c2ccc(Cl)cc2)c1 103247967 BZPFVRQBUZSLQH-NHCUHLMSSA-N 414.933 4.757 0 1 HJAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@H](C)Cc4cccnc4)ccc23)c(F)c1 205648807 VUUPJYXOLDOLNF-OAHLLOKOSA-N 415.468 4.890 0 1 HJAF C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 255285073 YRLBRLSLZIRTGX-JAQCZTPOSA-N 413.646 4.627 0 1 HJAF CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261168223 SIJIBHRUTSSJLY-KESTWPANSA-N 418.603 4.500 0 1 HJAF Brc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)o1 587007409 KPJUNQHRCGNZOE-UHFFFAOYSA-N 421.874 4.505 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)ncc3[nH]1)N2 587030588 GCJUNZFCZLBGBN-UWZPUTRXSA-N 405.936 4.738 0 1 HJAF O=C(O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587119363 BYNSKAVIHFFIGY-UHFFFAOYSA-N 423.354 4.657 0 1 HJAF O=C(O)c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1F 587165784 DTXTVOGWDUJTBN-UHFFFAOYSA-N 410.405 4.506 0 1 HJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587233024 GCIJIHLPGNKOHK-ZWKOTPCHSA-N 405.498 4.955 0 1 HJAF Cn1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F 587332878 TVHVUSIHHDKJDR-AZUAARDMSA-N 420.362 4.558 0 1 HJAF COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587346898 CHHTVORKZKQGFO-UPVQGACJSA-N 408.425 4.606 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O 587427287 CXLMFCHJNGJBCS-NAWOXDROSA-N 413.517 4.859 0 1 HJAF COc1ccc(-c2cc3c(cc2[C@H]2Oc4cc(OC)cc5c4C(=O)[C@H]2C5)OCO3)cc1 587453900 PZADBPOBLIIQJP-KBMIEXCESA-N 416.429 4.588 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cnn(C)c3)cc3ccccn13)CC2=O 587487715 NNYUMXQZKLRFJL-JOCHJYFZSA-N 401.466 4.704 0 1 HJAF O=C1C[C@H](c2cc(O)ccc2I)Oc2c1ccc1c2CCCC1 587509046 XDHRDRSNYFZXIK-GOSISDBHSA-N 420.246 4.582 0 1 HJAF C[C@@]1(c2cnc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553822 WEIBQJIOFLRZNK-XLIONFOSSA-N 402.233 4.971 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(C(F)(F)F)N1 587712000 ZFHLKRWBJBFYNL-ABKXIKBNSA-N 404.201 4.634 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(F)F)c2)N1 587718577 OBZNCTXFKKYRGK-XTZNXHDOSA-N 400.238 4.856 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)c(O)c2)N1 587720181 SCGKMSVMIJRJFQ-BCTVWOGZSA-N 402.210 4.519 0 1 HJAF C/C(=C\[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739492 HKGODIKFIGDGEN-MNTWGNPXSA-N 403.339 4.831 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCN(C)C)cc2)N1 587740738 KMFPDDVHUWTUJD-LHSJRXKWSA-N 421.354 4.542 0 1 HJAF CC(=O)Oc1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587814472 ZQOGLMLDQXBPPA-BUXKBTBVSA-N 406.295 4.754 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCC2=O)N1 587822700 MCLBYANLENBQLT-FQWGINHLSA-N 402.307 4.735 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)OCC(C)(C)CO3)N1 587839453 SHYQAAPKFNWIBG-CYBMUJFWSA-N 412.343 4.661 0 1 HJAF COc1ccc(-c2ccncc2)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962617927 CLOIGRAPEZEBNR-GYCJOSAFSA-N 404.510 4.740 0 1 HJAF FC(F)(F)c1cccc2c1[C@@H](c1c[nH]c3nccc(Cl)c13)NCC21CCOCC1 962948607 CATNQFUAANTWRX-GOSISDBHSA-N 421.850 4.976 0 1 HJAF Cc1cc2c(cc1O)[C@@H](c1ccc(Sc3ccc(Cl)cc3)o1)N[C@H](C(=O)O)C2 963474498 VDKIQDSDHZMSTA-JXFKEZNVSA-N 415.898 4.787 0 1 HJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccs1)c1oc2ccccc2c1N 963637456 SIHVCIWABFZEFI-BSEYFRJRSA-N 420.534 4.920 0 1 HJAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)nn(C2CCCC2)c1=O 1772654049 RINTXKGYGCUYIV-UHFFFAOYSA-N 417.553 4.724 0 1 HJAF Cc1ccc(Nc2cc(-c3ccc(CC(C)C)cc3)ncn2)cc1NS(C)(=O)=O 1857583361 VWNHDQRMWKIVIC-UHFFFAOYSA-N 410.543 4.766 0 1 HJAF C=CC(=O)Nc1ccc(-n2c(=O)ccc3oc4ccc(-c5cccnc5)cc4c32)cc1 1857650652 QHUBDROWGBQYIY-UHFFFAOYSA-N 407.429 4.923 0 1 HJAF CC1=C[C@H](CN2CCOCC2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356514393 DZPWFOXQGMGBGX-DNVJHFABSA-N 409.574 4.774 0 1 HJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4O)[C@@]3(C)[C@@H](O)C[C@@H]12 2356835480 KSFWGNGARDVQPT-UXYWTSEGSA-N 402.575 4.588 0 1 HJAF O=C(c1ccc(OC2CCN(C/C=C/c3ccc(F)cc3)CC2)cc1)N1CCCC1 11663122 KZBODIYZDSRMHQ-ONEGZZNKSA-N 408.517 4.618 0 3 HJAF O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCc2c([nH]c3ccccc23)C1 73224133 DFZARXBAEBGSHM-UHFFFAOYSA-N 410.399 4.775 0 3 HJAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@H](O)CC)cc1 774644 MBKAYSSUCUKOOW-OAHLLOKOSA-N 414.889 4.561 0 1 HJAF O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCc1ccccn1 6858030 UOTLJWVSDOSHRZ-UHFFFAOYSA-N 403.913 4.987 0 1 HJAF c1ccc(N2CCN(C[C@@H]3C[C@@H]4c5ccccc5Cc5ccccc5N4O3)CC2)cc1 13437018 PZVJEHWECRAJMM-RPLLCQBOSA-N 411.549 4.665 0 1 HJAF CSc1nc2ccccc2n1Cc1ccc(-c2ccccc2Cc2nnn[nH]2)cc1 13652522 PWWHLHMJZZLYKK-UHFFFAOYSA-N 412.522 4.577 0 1 HJAF CNc1ccc(C(=O)N2CCc3c(n(Cc4ccc(O)cc4)c4ccccc34)C2)cc1 14946247 QRVFCDZIXUSSOW-UHFFFAOYSA-N 411.505 4.635 0 1 HJAF CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c2C1 29055084 IADSDBJTSWKJGC-OAHLLOKOSA-N 412.921 4.976 0 1 HJAF COc1ccc([C@H](c2ccc(OC[C@H](O)CN3CCCC3)cc2)c2cccs2)cc1 29131483 KPBUBWFUFSHFSA-PXDATVDWSA-N 423.578 4.772 0 1 HJAF Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(-c3ccncc3)n1-2 34778431 DHRMCYGJHXOTCS-UHFFFAOYSA-N 406.276 4.987 0 1 HJAF Cc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)cn1 40846587 OSCJPLSGPLJBKS-UHFFFAOYSA-N 414.309 4.866 0 1 HJAF FC(F)(F)c1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(C(F)(F)F)c1 63298318 IHGUHCPMDSTTIW-UHFFFAOYSA-N 411.309 4.907 0 1 HJAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCC1=CCCCC1 82083070 XEYGRBNJYJJJSC-QGZVFWFLSA-N 417.509 4.620 0 1 HJAF Cc1oc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccco2)nc1-c1ccccc1 82165659 RQTGSCNHXNDHAK-KRWDZBQOSA-N 402.454 4.958 0 1 HJAF c1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)cc1 82178429 CIMXBIBSAMLTAP-UHFFFAOYSA-N 412.522 4.805 0 1 HJAF O=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2cc(Br)ccc21 100986138 RKHYAZOTLCYQKM-UHFFFAOYSA-N 420.060 4.716 0 1 HJAF O=C(OCc1nnc(-c2ccccc2)o1)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 101736952 RCXRGKOZABDDAC-NILVNCKXSA-N 417.303 4.514 0 1 HJAF CC(C)C(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139394142 VRNXSNGKGWFHNQ-UHFFFAOYSA-N 417.513 4.770 0 1 HJAF C[C@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1 143452008 BMZDMDPHVKAUFS-DYESRHJHSA-N 417.868 4.598 0 1 HJAF CC(C)C[C@@H](Nc1cc2ccccc2cn1)c1ccc(C(=O)NCCC(=O)O)cc1 148710015 ADHGPQCYNVTUDC-OAQYLSRUSA-N 405.498 4.639 0 1 HJAF COc1cccc(CN2CCN([C@@H](c3ccccc3C)[C@@H](O)c3ccccc3)CC2)c1 169332189 RRGKQTGEVMIBRV-SVBPBHIXSA-N 416.565 4.596 0 1 HJAF CCCOc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br 586882335 OCZIKYLSOXIQCQ-FPLPWBNLSA-N 401.260 4.983 0 1 HJAF Oc1ccc(-c2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 586899018 QKAHDTMFMDIHBR-UHFFFAOYSA-N 409.449 4.662 0 1 HJAF Nc1nc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cs1 587021749 QFFRPFGDQGDVGD-UHFFFAOYSA-N 406.696 4.747 0 1 HJAF CN(C)CCOc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162201 FIERVXNOLZKFCF-UHFFFAOYSA-N 418.472 4.562 0 1 HJAF COc1cc(N)c(I)cc1-c1nc2cc3ccccc3cc2[nH]1 587178842 MXZCPBIDELFYAK-UHFFFAOYSA-N 415.234 4.579 0 1 HJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(C)(C)C 587202588 BLYUFASTNISVJK-ZDUSSCGKSA-N 414.319 4.946 0 1 HJAF C[C@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345162 YQAFNZWUAKZUEL-ILBGXUMGSA-N 414.436 4.991 0 1 HJAF CCOc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357776 ONVCNDKCXYUOCH-ZCYQVOJMSA-N 420.436 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C)n1-c1ccc(Br)cc1)O2 587370501 FMOPGIDKEVAHKU-IBGZPJMESA-N 412.287 4.540 0 1 HJAF COc1cc2c3c(c1)O[C@@]1(CCC(C)(C)c4c1[nH]c1ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587438785 QVEKFYKVWWKPCU-LMKMVOKYSA-N 417.461 4.589 0 1 HJAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 587478425 SDHDCSFTBAHBHV-GJZGRUSLSA-N 403.519 4.857 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2CCCCCC2)N1 587750524 UQYNJXQYZTZDIT-ZUOKHONESA-N 411.359 4.567 0 1 HJAF Cc1nc2ccncc2cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587780022 XKYMDLVASCWNBX-YBTHPKLGSA-N 400.295 4.638 0 1 HJAF CCC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804648 CCBLPBYSLKHVDZ-BIBXISHDSA-N 422.294 4.536 0 1 HJAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cc3ccccc3)s2)N1 962982459 XQIOIXOIDUWZRV-OXJNMPFZSA-N 419.880 4.959 0 1 HJAF CCOc1ccc(-c2cc(C)nn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 1857655526 SGNVWFAMCKKZOO-UHFFFAOYSA-N 402.878 4.926 0 1 HJAF COc1ccc(C[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857757688 OXSGFQXFJBKQHO-NRFANRHFSA-N 412.482 4.744 0 1 HJAF C[C@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2ccc(OC(F)(F)F)cc21 61906969 PMPWRHSYYVFADI-MRXNPFEDSA-N 405.294 4.936 0 3 HJAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2Cl)cc1 3814592 YJWCINRCZMXFBH-UHFFFAOYSA-N 400.809 4.615 0 1 HJAF CCc1nnc(S[C@H](CC)C(=O)N2CCCCCC2)c2cc3sccc3n12 6893907 UMZLVNHKRHBSJW-MRXNPFEDSA-N 402.589 4.780 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@]12C 26385610 NVBZLUSKXDCJBQ-NRYASGGISA-N 402.623 4.580 0 1 HJAF Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(Cl)cc3)n3ccccc23)sn1 29126644 GOYZOPSTOGEJNK-UHFFFAOYSA-N 409.898 4.770 0 1 HJAF CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)[C@](O)(CC=C(C)C)C1=O 35466192 DCDUVEGSUDNBOU-RUZDIDTESA-N 416.558 4.962 0 1 HJAF biogenic CC[C@@H](C)c1ccc(-n2c(Nc3ccccc3)nc3cc(S(N)(=O)=O)ccc32)cc1 45190967 HHMVOGLHHLIUKR-MRXNPFEDSA-N 420.538 4.930 0 1 HJAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCc1ccccn1 82185227 IDQCBMPOURAAPS-UHFFFAOYSA-N 406.921 4.682 0 1 HJAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc(C)c1 82216814 DWEYGGJQBOQRTH-SFHVURJKSA-N 418.541 4.644 0 1 HJAF O=C(NCCF)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95594392 RYPDNLGQTYGITD-UHFFFAOYSA-N 424.422 4.737 0 1 HJAF O=C(C[C@H](C(=O)O)C1c2ccccc2-c2ccccc21)NCCc1c[nH]c2ccccc12 103278068 CCLLFSJSPTWTOH-QHCPKHFHSA-N 424.500 4.730 0 1 HJAF O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 116822805 ZFRXDRJCCIBUSF-CALCHBBNSA-N 415.518 4.765 0 1 HJAF C[C@@]12CC[C@@H]3[C@@H](Cc4c5c(nn4Cc4ccccc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 169359160 KGFRQVJXQKRIGD-BNCYKHGJSA-N 402.538 4.733 0 1 HJAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3c[nH]c4ccccc34)c2)c1 201564958 HOTRLBWRLHOXOJ-UHFFFAOYSA-N 411.465 4.823 0 1 HJAF Clc1ccc(NCc2ccccc2)nc1-c1ccnc2[nH]c([C@H]3CNCCO3)cc12 220164378 GGBKATFFMXOZIU-HXUWFJFHSA-N 419.916 4.551 0 1 HJAF COc1ccc2nc(C)cc(N3CCC(NC(=O)Nc4ccc(Cl)cc4)CC3)c2c1 299863839 LQVKUHDFGQCRGY-UHFFFAOYSA-N 424.932 4.996 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](C)CN(C)C 299888155 ZYCPOHNMPCLYQV-VOBQZIQPSA-N 411.949 4.559 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587018218 YQWBURZACMNXLB-UHFFFAOYSA-N 406.696 4.868 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 587027002 OLBNDDOJGBTQEC-XKQJLSEDSA-N 400.935 4.748 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@H]2CCCC[C@H]21 587028719 ZNWAVLUDWWXDRR-XYPHTWIQSA-N 400.935 4.748 0 1 HJAF Cc1nc2ccccn2c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339970 RLCDVXPPRHJXCR-URXFXBBRSA-N 402.425 4.762 0 1 HJAF O=C1CC2(CCN(c3ncccc3C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587502545 ADQCAGANBZHSOW-UHFFFAOYSA-N 416.443 4.984 0 1 HJAF C=CN1CCCC[C@@H]([C@]2(c3ccncc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587516156 ZAHXZBZSCOTQBQ-ATIYNZHBSA-N 416.521 4.593 0 1 HJAF Cc1cc(=O)oc2cc(OC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 587534257 YIFZZQWZRHLNSL-VWLOTQADSA-N 404.462 4.783 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1Br 587558157 QUJSWDINHPYITL-JXFKEZNVSA-N 415.214 4.997 0 1 HJAF COC[C@@]1(c2cccc(Cl)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566732 APLDLSTZEYRHQC-GCJKJVERSA-N 414.816 4.688 0 1 HJAF CC(C)[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594255 NQWDUHTURNPLPF-DHLKQENFSA-N 404.462 4.965 0 1 HJAF Cc1cc(C)c2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)coc2c1 587606499 DIBZQKRVMYQHIT-OFVILXPXSA-N 414.413 4.818 0 1 HJAF COc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1F 587658919 VDZQAYQSMJWHDM-UHFFFAOYSA-N 423.444 4.595 0 1 HJAF Cc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587658963 WXVXNFFOYPNVHI-UHFFFAOYSA-N 407.445 4.895 0 1 HJAF Cc1cc(Br)ncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587678460 CNUWUXNOQPLVKC-ABKXIKBNSA-N 414.116 4.678 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)c(F)c2)N1 587722083 YFIDRLNKHIMMJZ-PWJLMRLQSA-N 404.201 4.952 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cc(F)cc(F)c2)N1 587730660 JWLAVPDHDXVQGK-ZRNGKTOUSA-N 422.248 4.880 0 1 HJAF COc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587805337 FZQBDWKXIYAZEA-ODXCJYRJSA-N 408.311 4.685 0 1 HJAF CCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587820576 AOYYQEGTFMXMME-YEJXKQKISA-N 420.322 4.793 0 1 HJAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836180 SJJHSBKCDVKMCS-ZSEKCTLFSA-N 404.323 4.957 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nccs2)N1 587853052 KNWVTAIZUATXND-BLVKFPJESA-N 403.320 4.871 0 1 HJAF COc1ccc(CCCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC 587925750 PGRWBKODSOFLBL-UHFFFAOYSA-N 402.498 4.587 0 1 HJAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCCCc1ccccc1 587946650 YHSKXHNNBLCRDN-LJQANCHMSA-N 402.397 4.828 0 1 HJAF COC[C@]1(c2cccc(Cl)c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962634417 HOXJCJKAGLDBRI-AHWVRZQESA-N 418.968 4.977 0 1 HJAF COc1ncccc1[C@@]1(c2cccs2)c2ccsc2CCN1Cc1cccnc1 962993427 BHTLQOAKCAHDGL-HSZRJFAPSA-N 419.575 4.958 0 1 HJAF COc1cccc2cc3c(nc12)[C@](c1cn(C)c2ccccc12)(C(F)(F)F)NCC3 963035193 MOLCHGXHTRJOKP-JOCHJYFZSA-N 411.427 4.687 0 1 HJAF COc1ccc(CCNCCCNC2c3ccccc3CCc3ccccc32)cc1 1857760501 HFRAOCGTFGIEJH-UHFFFAOYSA-N 400.566 4.695 0 1 HJAF COc1cc(-c2nc3sc(-c4ccc(Cl)cc4)cn3n2)cc(OC)c1OC 1857771689 OKSDPIMWCGVMGB-UHFFFAOYSA-N 401.875 4.804 0 1 HJAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1OC2=C(c3ccccc3N(O)[C@H]2C)[C@@H]1O 2356810035 AUYTZCXTQMUNJC-VVYCWGTDSA-N 413.558 4.979 0 1 HJAF CCCCC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1 15935324 BUTMYFNOCBMEJZ-BJKOFHAPSA-N 406.570 4.591 0 3 HJAF C[C@H]1[C@@H](OC(=O)NCc2cccc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711582 AHNODCSPZKIIJD-JHGBEIFQSA-N 404.938 4.526 0 3 HJAF CCCCc1ncc(C/C(=C/c2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1 13831935 RSYBMLOVCDZLRR-AQTBWJFISA-N 424.522 4.744 0 1 HJAF CCCCc1nc(-n2cccc2)cn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832352 SPQMEOLMSSTALU-UHFFFAOYSA-N 423.524 4.912 0 1 HJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@H](N4CCCCC4)C[C@H]32)C1 16040256 QZQARKHEFRUGSK-UNIHSDPKSA-N 415.618 4.994 0 1 HJAF biogenic COc1cscc1C(=O)N[C@@H]1[C@@H](C/C=C/CCCC(=O)O)C[C@H]2C[C@@H]1C2(C)C 26495687 KQHRGRQPHPSRLL-GWMWHFNASA-N 405.560 4.739 0 1 HJAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cscc3Br)cc2)C[C@@H]2CC[C@H]1N2C 36271326 AKZNIBWGGYEGKL-ILRDRHFLSA-N 420.372 4.917 0 1 HJAF O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(F)cc2)n2ccc(Cl)cc12 38559150 AXDLVMJAHYFBBA-UHFFFAOYSA-N 407.832 4.539 0 1 HJAF O=C(Nc1cccc(F)c1)c1cc2c(OCCCNCc3cccnc3)cccc2[nH]1 64485721 HURIJYNBKDDXLA-UHFFFAOYSA-N 418.472 4.513 0 1 HJAF CC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3cc(Br)ccc23)cc1 72141374 MSLWWRMLJLZMMQ-UHFFFAOYSA-N 407.271 4.839 0 1 HJAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cncs3)cc2c1 72142901 KSWWBLYGIZHTMF-MRXNPFEDSA-N 416.550 4.744 0 1 HJAF CCNc1nc(NCc2cccc(C(F)(F)F)c2)nc2cc(OC)c(OC)cc12 82131623 RFKCRXBOMHFHKH-UHFFFAOYSA-N 406.408 4.710 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82141581 TVQATQPJBDBSPQ-UHFFFAOYSA-N 404.489 4.545 0 1 HJAF COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)c1 82163107 SWLCBMSUQWBEPH-UHFFFAOYSA-N 416.481 4.779 0 1 HJAF CN(C)c1cccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c1 96169864 BSMZBNXVISRDIE-UHFFFAOYSA-N 412.541 4.673 0 1 HJAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3cccc(OCc4ccccc4)c3)oc2c1 204162064 HQJIKAIHRRUGMP-MRXNPFEDSA-N 411.461 4.934 0 1 HJAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc(F)c(F)c1 261075160 ATMVQEHTDOIWFZ-UHFFFAOYSA-N 402.397 4.726 0 1 HJAF Fc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1Cl 587018492 DLEKTVKZENVJJV-UHFFFAOYSA-N 401.850 4.841 0 1 HJAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)no2)n1 587117808 HAIQHYKNRSNPLR-UHFFFAOYSA-N 402.163 4.788 0 1 HJAF COC(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 587121611 HIQFQLJVLNTWES-UHFFFAOYSA-N 401.344 4.772 0 1 HJAF FC(F)c1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cnc2ncnn12 587128958 VLNPWMFISBJTHX-UHFFFAOYSA-N 419.420 4.882 0 1 HJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 587166374 BLZDYDXKXKXFNA-AWEZNQCLSA-N 419.254 4.539 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(C)(C)C 587206212 VSPMAQRYTKICOO-CYBMUJFWSA-N 401.429 4.943 0 1 HJAF CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCC(=O)CC1 587234870 YAGCULMLGFKRJW-UHFFFAOYSA-N 415.387 4.584 0 1 HJAF CCN[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341131 WNJSOWZFJIWUIH-OYMMJLNRSA-N 405.469 4.784 0 1 HJAF COc1cccc2c1CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354947 WDNBEUNMCFLSIL-ZCYQVOJMSA-N 404.437 4.827 0 1 HJAF Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23CC(=O)c2cc(C)cc(N)c2O3)c(C)c1 587409065 PGXSEHGGZJIUHZ-GJZUVCINSA-N 419.521 4.860 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1c(=O)sc3ccccc31)(c1ccccc1)O2 587415745 WLWJAPPYRZQGPR-XMMPIXPASA-N 416.502 4.515 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cnc1NC(=O)C(C)(C)C)CC2=O 587472054 PIRJYTBSINEMIZ-GOSISDBHSA-N 400.450 4.570 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1cc(C(=O)OC)ccn1)CC2=O 587485797 KQGNQNFZVQNKJC-MHECFPHRSA-N 409.482 4.588 0 1 HJAF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CO)cc21 587531390 ZVDNYIQOWWATNQ-HHHXNRCGSA-N 410.469 4.511 0 1 HJAF CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)CC(=O)c2ccc3c(c2O1)CCCC3 587536862 XOPQPYLMEPIWAE-JYFHCDHNSA-N 420.505 4.537 0 1 HJAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-n2cccn2)c1 587578858 BMFDZCZESYLUNP-DHLKQENFSA-N 412.445 4.898 0 1 HJAF CCc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587580783 DPOMARQVMNBPKA-HSZRJFAPSA-N 415.489 4.955 0 1 HJAF CCCCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587615561 YLNUBJRDQWLAIM-NQIIRXRSSA-N 408.479 4.777 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)F)N1 587722785 SXEAUWHXPRZZNW-HUTHGQBESA-N 418.278 4.917 0 1 HJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799322 RSXYTRVOXWGGPK-VQZRKKFQSA-N 412.343 4.707 0 1 HJAF C[S@](=O)c1ccc([C@@H](NC2CCCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801618 NCWGRILWBTWFKG-HRFSGMKKSA-N 401.963 4.965 0 1 HJAF Cc1ncc(C)n2nc(-c3ccc4nc(-c5ccccc5OC(F)(F)F)[nH]c4c3)nc12 1857631215 TUVLSGZPVHIGHX-UHFFFAOYSA-N 424.386 4.850 0 1 HJAF CC(=O)OCC=C(CC[C@]1(C)[C@H](C(=O)O)CC[C@]2(C)C(C)=CCC[C@@H]21)COC(C)=O 2356573158 BKCYJXFNFNVGFG-NEUULRRLSA-N 420.546 4.683 0 1 HJAF FC(F)(F)c1nc2ccccc2n1CCNc1nc(CN2CCCCC2)cs1 15924918 FQPMSDRGXNDKHE-UHFFFAOYSA-N 409.481 4.610 0 3 HJAF COc1cc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc(OC)c1OC 61895899 PMLFHYRIWHSBDY-UHFFFAOYSA-N 422.437 4.983 0 3 HJAF COc1ccc(NC(=O)c2cc([C@H]3CCCCN3C(=O)c3ccccc3)on2)c(C)c1 61907076 UXBPCLVFQBDEIP-OAQYLSRUSA-N 419.481 4.611 0 3 HJAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccn2)c1C(=O)c1c[nH]c2ccc(F)cc12 199710349 YDCJNSTUNIFNGH-UHFFFAOYSA-N 424.435 4.741 0 3 HJAF CCOc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1 26294191 WSZZMYWPGOWOFN-UHFFFAOYSA-N 410.539 4.664 0 1 HJAF COc1ccc([C@H]2CC3(N4CCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 40810670 HWQISLZWCOZLRA-WIPBBCIJSA-N 407.554 4.580 0 1 HJAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccoc1 45231364 VLIUUSLAXQMRMN-IBGZPJMESA-N 414.864 4.978 0 1 HJAF Fc1ccccc1CCNc1ncnc2c1nc(-c1cccs1)n2C[C@H]1CCCO1 82180855 FSQZULJQWKYKNG-MRXNPFEDSA-N 423.517 4.528 0 1 HJAF Cn1c(-c2ccccc2Cl)nc2c3ccc(Br)cc3n(C)c(=O)c21 95604240 CDYOZYKVTCAZAF-UHFFFAOYSA-N 402.679 4.508 0 1 HJAF C/N=c1\c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(O)oc2ccccc12 102627484 BUGHKGFTHSDXKL-ATJXCDBQSA-N 412.511 4.517 0 1 HJAF COC(=O)[C@]1(c2ccc(Cl)cc2)N=CN(CC2CC2)[C@H]1c1ccc(Cl)cc1 143617625 TWIKWHQOMXDELG-PZJWPPBQSA-N 403.309 4.857 0 1 HJAF CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(F)cn3)cc2)CC1 148286912 KTHRVPDOVPWUMY-UHFFFAOYSA-N 406.461 4.878 0 1 HJAF CC(C)[C@@H](C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166618990 SXFKDYVTXKRPLV-GOSISDBHSA-N 418.541 4.537 0 1 HJAF COc1cccc(-c2cc(Nc3cccc(N4CCC[C@@H]4C)n3)c3nccn3n2)c1 207375363 IEOIZVJETAOPMC-INIZCTEOSA-N 400.486 4.532 0 1 HJAF OCC12CCC(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)(CC1)CC2 586895797 ZHVPOHTWMXBBKI-UHFFFAOYSA-N 419.241 4.808 0 1 HJAF Cc1c(Br)cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1C 586984338 PWZVJPVHHFOCTO-AWEZNQCLSA-N 423.152 4.947 0 1 HJAF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccsc4)[nH]c3c2)cc1 587025976 PUOHBXHMUSZLSR-XNWCZRBMSA-N 411.508 4.604 0 1 HJAF O=C1COc2cc3[nH]c(-c4cc(C(F)(F)F)ccc4C(F)(F)F)nc3cc2N1 587094511 AJOSOWCYYCZAPX-UHFFFAOYSA-N 401.266 4.598 0 1 HJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c(F)c2)c1 587147363 NYBWODUBJSLSSK-UHFFFAOYSA-N 422.412 4.760 0 1 HJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(I)cnc2[nH]1 587170913 VVYHBKGHTYJYED-VIFPVBQESA-N 413.259 4.597 0 1 HJAF COc1ccc2c(c1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347716 PQGDXHAHWHSVER-LADGPHEKSA-N 405.425 4.610 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1cccc(Br)c1Br)[C@@H](C2)C3=O 587412024 GSGAMQMGPWQBFK-APPDUMDISA-N 424.088 4.709 0 1 HJAF CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453580 ZIPXODNCQDHBQW-MAUQACMESA-N 420.505 4.792 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3Br)CC2=O 587457931 DOVFOQKEOQKLCE-NRFANRHFSA-N 417.299 4.923 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)CC2=O 587477330 QMBGUIYJMWKQSI-CMJOXMDJSA-N 403.519 4.858 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(OCC)cc1)CC2=O 587483320 WMWOOCKGRYIOAM-DEOSSOPVSA-N 412.482 4.859 0 1 HJAF O=C1C[C@]2(C[C@H]3C[C@H]2CN3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 587519264 XFLSMSBLNNXZRS-UNVFRBQDSA-N 417.505 4.700 0 1 HJAF CC(=O)SC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605042 ARYSRDVCBCDTPN-OFNKIYASSA-N 406.459 4.529 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587605242 YNPVKXGPGQEBHH-WIOPSUGQSA-N 418.445 4.731 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccncc2)s1 587613441 OUWGJIRYRXCAOI-RXVVDRJESA-N 402.431 4.614 0 1 HJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2cccs2)n1 587658276 NVQOVPIBCJRJSX-UHFFFAOYSA-N 418.428 4.849 0 1 HJAF CCOc1ccc(-c2nn(C(=O)CC(C)(C)C)c(=O)c3ccccc23)cc1OCC 587671397 NXJPITSJQAEKLK-UHFFFAOYSA-N 408.498 4.937 0 1 HJAF COc1cc2c(cc1Cl)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587692179 AMPFPSSGDQTQBE-GIGQVBGESA-N 410.714 4.974 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc(F)c(F)c2)N1 587724008 DIOKABGSTOGNRY-MGNBDDOMSA-N 400.238 4.695 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc(F)cc2)N1 587729278 CRNZFFDHEOOLNX-GIPWTMENSA-N 418.285 4.751 0 1 HJAF CCC[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757974 VVIBREQIJNDXGN-CWTRNNRKSA-N 415.347 4.643 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1 587768540 DGUPBYIUGQZRGE-XUSGNXJCSA-N 413.290 4.979 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]c2c1CCCC2 587859267 HJHIEIDRJQBITN-UHFFFAOYSA-N 405.285 4.546 0 1 HJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)C)cc1 587867501 GLMLRIJSIIWCGG-UHFFFAOYSA-N 419.403 4.815 0 1 HJAF CCCCC[C@]1(c2ccc(N)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638802 NPRBTEUTCNQWBJ-PZJWPPBQSA-N 422.447 4.590 0 1 HJAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccc(C(F)(F)F)cc2)(c2ccsc2)N1 962904270 VGSWVSSAGPQXGP-FXAWDEMLSA-N 421.415 4.797 0 1 HJAF COc1cccc(OC)c1[C@]1(c2cnccc2C)c2c(F)cccc2C[C@@H]2CCCN21 963111136 WHGARPJGQIRPKZ-SIBVEZHUSA-N 418.512 4.859 0 1 HJAF COc1ccc2c(c1OC)[C@@](C)(C1C(C)(C)C1(C)C)N(C(=O)c1ccccc1N)CC2 963160081 VOCFLNOBJZKHEP-SANMLTNESA-N 422.569 4.882 0 1 HJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccnc1N1CCC(C(=O)OCC)CC1 963223896 DLUJEUHUOVIIOO-YADARESESA-N 421.585 4.607 0 1 HJAF CN1CCc2c(Br)cccc2[C@]1(CCCC(=O)O)c1cccc(F)c1 963290786 YNRPARAWRDLAFS-FQEVSTJZSA-N 406.295 4.575 0 1 HJAF Oc1nc(NCCCN[C@@H]2CCOc3c(Cl)cc(Cl)cc32)nc2ccccc12 1772590582 NKMPEHIMKKANNB-MRXNPFEDSA-N 419.312 4.558 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)n3c2CCO[C@H](C)C3)ccn1 1772593357 FSLATDXSSXCWTO-CQSZACIVSA-N 403.404 4.780 0 1 HJAF O=C(CCc1ccccc1)Nc1ccc(CC2=CC(=O)O/C2=C/Br)cc1 1857632924 KJAIEBUGOKDTKE-XMHGGMMESA-N 412.283 4.520 0 1 HJAF COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC=C(C)[C@H](CC[C@@H](C)CCO)[C@@]2(C)C1 2356788565 XHWGHIJXIYCDEW-ZIGMIJKYSA-N 408.579 4.669 0 1 HJAF CO[C@@H]1O[C@H](O)[C@@H]2C1=CC[C@H]1[C@]2(C)[C@H](O)C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 2356799105 TZSQELDBBODMCT-LIFFOCRQSA-N 418.618 4.890 0 1 HJAF CSc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 2468532 WRLKSMMVCFOQAH-CRAIPNDOSA-N 405.317 4.941 0 1 HJAF CC(C)=CCc1c(O)c(C(=O)C[C@@H](C)CO)c2oc(=O)cc(-c3ccccc3)c2c1O 14585991 RTYJWVASGLZLEA-OAHLLOKOSA-N 422.477 4.581 0 1 HJAF biogenic COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 28957564 FZFOOQCAPGGAEV-AWNIVKPZSA-N 410.533 4.624 0 1 HJAF C[C@H]1CN(Cc2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CCO1 66259452 OHDGLYGQXSEPBY-HNNXBMFYSA-N 401.432 4.983 0 1 HJAF CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCN1CCCCC1 82178080 RABXFPSTKSXSRT-HXUWFJFHSA-N 420.605 4.726 0 1 HJAF c1cc(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3c2)ccn1 95587326 MMCSQTPDMRNXRC-UHFFFAOYSA-N 411.509 4.910 0 1 HJAF COc1ccc2c(OCc3cnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1 139764827 ZVIOHUZYTQYWMX-UHFFFAOYSA-N 418.403 4.810 0 1 HJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299876004 DXANDXDXHKOUAG-OYNPSCLESA-N 424.944 4.913 0 1 HJAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299884632 UEFFNNPUQIERNK-OFCAXSSNSA-N 406.574 4.709 0 1 HJAF Oc1cccc2c1OCC(c1nc3c(C(F)(F)F)c(Br)ccc3[nH]1)=C2 586907726 JPZWMIACXKSGQZ-UHFFFAOYSA-N 411.177 4.983 0 1 HJAF Oc1cccc2c1OCC(c1nc3c(Br)cc(C(F)(F)F)cc3[nH]1)=C2 586909456 ZEQPBYCAQWPWRI-UHFFFAOYSA-N 411.177 4.983 0 1 HJAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(N)c(N)cc4[nH]3)c(Cl)cc12 587078013 FEUJYKINUOHRHR-JTQLQIEISA-N 412.877 4.580 0 1 HJAF C[C@@]1(CC(=O)Nc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335766 OTUGMFOKFIYTFC-VWNXMTODSA-N 423.415 4.817 0 1 HJAF CC(C)N1C[C@@H]2CCC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339710 QVYZNLKQIZCZSE-YXDROHJASA-N 409.501 4.769 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cn4cccc(C)c4n3)cc1)O2 587392978 AEFUWWAGQQLVKM-HSZRJFAPSA-N 413.477 4.819 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccnc4cc(Br)ccc14)[C@@H](C2)C3=O 587416535 CLHFFLYAOOEECG-HRAATJIYSA-N 410.267 4.669 0 1 HJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)[C@@H](C2)C3=O 587427285 CXLMFCHJNGJBCS-IKKGAQDJSA-N 413.517 4.859 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CC2=O 587475143 MMOOYQYZSCHFER-NPMXOYFQSA-N 403.519 4.716 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](O)c1ccccc1 587614303 BXSPGIQTFYNPNV-NPAAKHOSSA-N 424.452 4.983 0 1 HJAF Cc1ccc(F)c(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587658112 GJHBAJILWBSXGH-UHFFFAOYSA-N 407.445 4.895 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)F)N1 587717095 FHCLVOLWFOPYDV-NSPYISDASA-N 412.249 4.856 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OC(F)(F)O3)N1 587718382 ISZUUELSERWSBS-VPTHRUTESA-N 400.194 4.533 0 1 HJAF COC[C@@]1(c2cccc(Cl)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587723581 BPTNAPMHVWAWIJ-YPMLDQLKSA-N 416.693 4.805 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc(N)cc32)N1 587747398 QCBXOAIRVAIDKC-PRWKNARSSA-N 405.311 4.509 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN3CCCC3)cs2)N1 587847320 KGXBRUWOXKZUBH-HXPMCKFVSA-N 409.368 4.869 0 1 HJAF CCOc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)sc2c1 587869794 RWGGKJFSIFAXRI-UHFFFAOYSA-N 420.416 4.970 0 1 HJAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587970007 XKUDPOMRJGJVKI-KAMYIIQDSA-N 405.523 4.965 0 1 HJAF COc1ccc2cc([C@H](C)c3nnc4n3N=C(c3ccccc3)CS4)ccc2c1 653689960 CLOICWPWSSMQCI-HNNXBMFYSA-N 400.507 4.950 0 1 HJAF CCCC[C@]1(C(=O)OCC)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833140 SIMHXENFKUUNCL-VWLOTQADSA-N 406.526 4.841 0 1 HJAF CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)c(C(F)(F)F)c2)cc1 1857636108 ITFCALOOWSZWQA-UHFFFAOYSA-N 413.461 4.804 0 1 HJAF Cc1onc(-c2ccccc2)c1-c1ccnc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1857655115 BKXGPICBLBISPB-QGZVFWFLSA-N 421.501 4.528 0 1 HJAF CC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCc1ccccc1 13584578 PLMVGYQFMHWTMW-UHFFFAOYSA-N 402.402 4.670 0 1 HJAF C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 13686459 QNFXKEPASZCPGA-MWTRTKDXSA-N 424.928 4.829 0 1 HJAF CCCCCNC(=O)Nc1c(OCCCn2cnc3ccccc32)cccc1N(C)C 13827589 AFXKWXLBLYFGRF-UHFFFAOYSA-N 423.561 4.883 0 1 HJAF O=C(C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)OCc1ccccc1 13860451 CGQDAOUXFCPXQC-OAQYLSRUSA-N 418.880 4.632 0 1 HJAF CCCCCNC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801294 FZSXHRMZIAUGIF-JZVUSVNDSA-N 402.623 4.772 0 1 HJAF COc1ccc([C@@H]2CC3(N4CCCCC4)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 38346900 RLOJIHUMKRBJCL-RVMAVILXSA-N 421.581 4.971 0 1 HJAF CN1CCN(c2nc(NCc3cc4ccccc4s3)c3cc(Cl)ccc3n2)CC1 40848611 BBGGFNJGPUEVOH-UHFFFAOYSA-N 423.973 4.862 0 1 HJAF Cc1ccc(NC(=O)c2ccc(CN3CCCN(CCC(C)C)CC3)cc2)cc1F 45226703 JHXMODGOBIALGY-UHFFFAOYSA-N 411.565 4.940 0 1 HJAF CCO[P@@]1(=O)OC(C2CC2)=C(I)c2ccc(Cl)cc21 49054274 AHAGJAMAPBQNAQ-LJQANCHMSA-N 410.575 4.739 0 1 HJAF CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)CCO2 72113784 YLIDHLLMFUVJLQ-UHFFFAOYSA-N 400.910 4.902 0 1 HJAF COc1ccc(N2C[C@@H](Cc3ccccc3)[C@H](CC(=O)Nc3ccccc3)C2=O)cc1 72137557 MOBZXWIKGQGYKU-YKSBVNFPSA-N 414.505 4.546 0 1 HJAF CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1 82179716 NITHWMOHTKMJNN-IBGZPJMESA-N 411.525 4.703 0 1 HJAF O=C(O)C[C@@H]1O[C@@H](c2cccc3c2OCCO3)c2cc(Cl)ccc2-n2cccc21 84687299 NRHOEVJTGYGNPI-FPOVZHCZSA-N 411.841 4.537 0 1 HJAF CCOC(=O)[C@H](CC)Oc1ccc(NC(=O)COc2ccccc2[C@H](C)CC)cc1 95558791 ZBVIBDLGVQMGFS-UTKZUKDTSA-N 413.514 4.938 0 1 HJAF O=c1cc(-c2cccc(-c3cccc4cccnc34)c2)sc(N2CCOCC2)c1 101406067 SJNKMFRIVPMBFC-UHFFFAOYSA-N 400.503 4.827 0 1 HJAF CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1cccnc1 104111132 PCGNCAPUQFUBEN-RRMQHPPMSA-N 420.494 4.523 0 1 HJAF C[C@H](c1ncccn1)N1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1=O 206184105 QGGWXNRVEXCEHP-CQSZACIVSA-N 413.399 4.758 0 1 HJAF CC(C)Oc1ccc([C@H](C)Nc2ncc(F)c(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 221305230 UKCYJSXFXMNEES-KBXCAEBGSA-N 402.470 4.557 0 1 HJAF COc1ccc2c(C)c(CCc3nc4cc(Cl)c(Cl)nc4[nH]3)c(=O)oc2c1C 586918987 UZCNEGSRGQNAOX-UHFFFAOYSA-N 418.280 4.782 0 1 HJAF Clc1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967424 WTVHRJVIZYQIFD-UHFFFAOYSA-N 422.695 4.716 0 1 HJAF O=C(O)c1cc(Br)cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131653 QUMMTYGOQQPBFE-UHFFFAOYSA-N 407.214 4.905 0 1 HJAF Cc1ccc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587146863 YWHZGUHHXCOISK-SNAWJCMRSA-N 413.621 4.834 0 1 HJAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)cc(Br)c2[nH]1 587174064 FGFMAYPKORDAOI-CYBMUJFWSA-N 407.674 4.842 0 1 HJAF C[C@@]1(c2cc(F)c(O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328728 CBQGRLGHAACZKL-UGKGYDQZSA-N 400.352 4.789 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(Br)c1Br)O2 587410512 OKEQYCVRFDQSNC-LLVKDONJSA-N 417.122 4.870 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O)[C@@H](C2)C3=O 587453382 YTOZXOQZVMQIGA-KKPNIWNPSA-N 418.489 4.785 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)c(Cl)c1)CC2=O 587465470 DYRRZEGAFHQCKU-QFIPXVFZSA-N 420.864 4.951 0 1 HJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2N(C(=O)OCc2ccccc2)C1 587519136 VCIUVJTZPMMJCL-CNPGNWEMSA-N 417.505 4.700 0 1 HJAF Cc1nn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587693718 FESOCLJZKCCQLE-VVVCHXIZSA-N 400.723 4.505 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(F)F)c2)N1 587721125 VXLMEBYAIRTDAC-XTZNXHDOSA-N 400.238 4.856 0 1 HJAF C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587763232 XYGKBYIDRUKKRQ-WCJKSRRJSA-N 417.366 4.860 0 1 HJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587784219 FYRPMQQGASAGAW-CHWSQXEVSA-N 405.679 4.922 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)(C2CC2)N1 587835351 VXQTWEORRAKXRC-RBZFPXEDSA-N 412.343 4.661 0 1 HJAF CN(c1ccc(-c2csc(-c3ccccc3Br)n2)cc1)S(C)(=O)=O 587923669 CQOXEYZBBLCKNY-UHFFFAOYSA-N 423.357 4.635 0 1 HJAF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(Cc3ccccc3)c2O)cn1 587936710 XGXYGWZVLGHMPE-UHFFFAOYSA-N 424.298 4.642 0 1 HJAF O=C(O)COc1cccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 653709143 QQLNQUAUWPYRRP-UHFFFAOYSA-N 409.869 4.693 0 1 HJAF COC(=O)c1ccc([C@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)s1 962633713 GLLNEMRIGGZYSI-CPJSRVTESA-N 418.562 4.545 0 1 HJAF Cc1ccc(-c2c(CCc3nc(C(=O)O)cs3)c(C)nc(CC(C)C)c2CN)cc1 1772626560 IYHTZIRDMIVHPV-UHFFFAOYSA-N 423.582 4.963 0 1 HJAF O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1 61923781 AUQNPCFBIYVHNH-DNVJHFABSA-N 414.981 4.738 0 3 HJAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCc2ccccc2OC)cc1 774292 APCIGZNVDHPLCE-UHFFFAOYSA-N 414.461 4.956 0 1 HJAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccc(O)cc1 13446441 RHCHSSDSMMMVSJ-HXUWFJFHSA-N 407.341 4.537 0 1 HJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OC[C@H](C)[C@@H]4OCC)O[C@@H](C)CC3=O 29132914 OMIZSNPUKICYBX-FHGNATFXSA-N 420.889 4.859 0 1 HJAF O=C(O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 34340893 SREGRCFSXVBPIJ-UHFFFAOYSA-N 400.478 4.723 0 1 HJAF CC1(C)CCCC(C)(C)N1Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1 40863792 SCAXNJNEJGAKKP-UHFFFAOYSA-N 414.575 4.548 0 1 HJAF CC(=O)OCc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66136483 WGQCHHLOMTXLDZ-UHFFFAOYSA-N 412.873 4.865 0 1 HJAF Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)o1 82178501 AMVLXKRXVDQVEU-UHFFFAOYSA-N 410.481 4.645 0 1 HJAF Cc1c(C(=O)NCCNc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12 84671398 KIARQQRPWWPOLF-UHFFFAOYSA-N 413.525 4.670 0 1 HJAF COc1ccc(F)cc1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 95558526 TWDISXDNMABOAR-UHFFFAOYSA-N 414.912 4.867 0 1 HJAF CN1CC2CCC1([C@H](NC(=O)c1c(Cl)cncc1Cl)c1ccccc1)CC2 141474557 UERXXZPDXRKICL-XGMGDGQCSA-N 404.341 4.734 0 1 HJAF COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCC[C@@H]4[C@H]3C2=O)cc1 195500990 GECBHJXRQAUPDJ-PEYKTXOXSA-N 400.478 4.737 0 1 HJAF Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 299839403 RGOWDMHNPUZZHW-UHFFFAOYSA-N 423.416 4.507 0 1 HJAF CCCn1cnc2cc(-c3nc4cccc(C(=O)OC)c4[nH]3)cc(Br)c21 587004024 OSLPXNRQOQCZGL-UHFFFAOYSA-N 413.275 4.539 0 1 HJAF CCOC(=O)c1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 587197544 GNKSPMJOVFHCDS-FQEVSTJZSA-N 409.486 4.705 0 1 HJAF CCCCCOc1cc2nc([C@@H](NC)c3cccnc3)[nH]c2cc1Br 587225349 VUUYBRPPRISKTR-SFHVURJKSA-N 403.324 4.598 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(Br)cc4)no1)[C@@H](C2)C3=O 587417155 JKNVAYNYDIQXJV-VBKZILBWSA-N 412.239 4.601 0 1 HJAF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587453157 VEGVPWQWEQUATG-OPAMFIHVSA-N 406.459 4.699 0 1 HJAF CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)CC2=O 587488068 HDHVHINLUVDLOJ-VWLOTQADSA-N 417.461 4.541 0 1 HJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1cccc2ncccc12 587516312 BTQVQQFQADOPRL-SANMLTNESA-N 424.504 4.883 0 1 HJAF O=C(O)c1cc([C@]2(Cc3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 587522027 CLXMYWVDMHRTNI-VWLOTQADSA-N 401.462 4.695 0 1 HJAF C/C(=C\[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587569100 FBRCJBQWPKUKKZ-UHKLCGCRSA-N 401.462 4.715 0 1 HJAF CN(C)C(=O)Sc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587609856 AJPXINNGYXNZFQ-KNQAVFIVSA-N 421.474 4.869 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1cccs1 587614762 UDINXCBQBKNLIG-OFNKIYASSA-N 401.443 4.754 0 1 HJAF COc1ccccc1SCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660850 HTAGSAOOHIFMOF-UHFFFAOYSA-N 420.465 4.644 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)nc3ccccn23)N1 587705743 OIEBNPONPSMJGS-MGNBDDOMSA-N 408.702 4.687 0 1 HJAF COc1ccc(OC(F)F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587713979 DOJBMKJYUWKROX-HUTHGQBESA-N 416.237 4.822 0 1 HJAF Cc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587756759 FJIRQRXEUSTMJM-RBZFPXEDSA-N 400.295 4.706 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cc(O)ccn3)c2)N1 587773608 QZECVSOIWUXBAC-LAJNKCICSA-N 413.290 4.979 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CO)(c3ccccc3)CC2)N1 587824544 CELJOUOSINQMON-NYMDZQDESA-N 418.350 4.822 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@@]1(c1ccccc1)c1cc(C)ccc1N 961329122 XNEVIJFYONWRSM-MHZLTWQESA-N 416.565 4.772 0 1 HJAF CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)NCCc2c1sc(C)c2C 963033038 WPBVHPCGYZKCON-KKSFZXQISA-N 409.954 4.940 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C 963049910 WGDAHOQLTMHBHN-VWLOTQADSA-N 421.541 4.553 0 1 HJAF Cc1cc2c(cc1O)[C@](c1ccnc(Cl)c1)(C1CCCCCC1)N[C@H](C(=O)O)C2 963471381 NZNONQIOURUCEI-WMZHIEFXSA-N 414.933 4.562 0 1 HJAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(F)cc2)nc2ccc(O)cc12 1772617506 ABHNQEVBRXIRLW-RTXNCCEWSA-N 406.501 4.900 0 1 HJAF CCC=C(C)C(=O)O[C@@H](C)[C@@H](OC(=O)C(C)=CCC)c1cc(OC)c2c(c1)OCO2 2356661934 VNDVELGATHSJOM-OXJNMPFZSA-N 418.486 4.653 0 1 HJAF COc1ccc(C2=NN(C3C4CC5CC(C4)CC3C5)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 1494801 CSNUCLKQPKBQNG-AGRQWJSISA-N 420.553 4.657 0 1 HJAF CN(CCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1)c1ccccc1 2478305 UCGNYTSAUPIYQM-UHFFFAOYSA-N 419.456 4.997 0 1 HJAF CCCN(CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1 13438626 RURKEKYFHBYLDY-AREMUKBSSA-N 421.629 4.564 0 1 HJAF CC(C)CC(C/C=C1\C[C@](CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C 13684007 BKNVHJDEURXREP-ZSOQTWPFSA-N 402.531 4.546 0 1 HJAF CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1)CC(=O)O 26152636 OCNRABZYCNHLGX-KRWDZBQOSA-N 401.812 4.885 0 1 HJAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN)CC1 26269558 NURSXRYHWKCZOQ-IAGOWNOFSA-N 414.590 4.828 0 1 HJAF CC[C@@H](C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 26467655 GYHKWNJJVFLXAF-CZUORRHYSA-N 402.930 4.623 0 1 HJAF CC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28478155 MTZXGGLPHHVXRY-UHFFFAOYSA-N 424.428 4.537 0 1 HJAF CCN(CC)C(=O)C[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801226 SWADDJASDXOIKA-TZGZTYHOSA-N 402.623 4.725 0 1 HJAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)Nc2cccnc2)c1 49069468 NHKKPHUTLDROTB-UHFFFAOYSA-N 400.360 4.997 0 1 HJAF O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ccc2cc(C(=O)O)ccc21 49785144 LWRJSJXIQFXIPB-UHFFFAOYSA-N 401.418 4.780 0 1 HJAF O=c1cc(Cn2ccnc2)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2o1 66104930 SAOHYTLBHRCWIT-UHFFFAOYSA-N 416.355 4.515 0 1 HJAF Cc1ccccc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCc3cccnc3)cc2c1 72179223 NPNWFUIRKKRIEZ-SFHVURJKSA-N 410.521 4.682 0 1 HJAF O=C(NCC1CC1)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1 82139639 GIOGZQOFNRTVDB-UHFFFAOYSA-N 410.880 4.688 0 1 HJAF O=C(Nc1ccccc1)[C@H]1CC[C@]23CCN(CC4CC4)C[C@]2(Cc2ccc(O)cc23)C1 84616240 YLMCBOPBZSKALW-NJTBCWBZSA-N 416.565 4.727 0 1 HJAF COc1ccc(OCCF)c(CN(C(C)=O)c2cccnc2Oc2ccccc2)c1 84689778 PCMWZXXQVRTMBA-UHFFFAOYSA-N 410.445 4.784 0 1 HJAF COc1ccc(/C=C/C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 95596314 HSJPBAGTYTVMAW-IZZDOVSWSA-N 409.917 4.919 0 1 HJAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-n3cccn3)cc2)nc1 145223774 AYNRUMQQPHNWPH-UHFFFAOYSA-N 404.470 4.951 0 1 HJAF O=C(c1ccc(Oc2ncccc2[C@H]2CC[C@H](O)CC2)cc1)c1nc2ccccc2[nH]1 168988082 FOZZRFYDGJNYOP-MAEOIBBWSA-N 413.477 5.000 0 1 HJAF COc1cccc([C@@]2(O)CCN3C[C@@H]4c5ccccc5CCc5cccc(c54)[C@H]3C2)c1 169319867 ZGDBTGXLNPPGTP-STROYTFGSA-N 411.545 4.964 0 1 HJAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 215902524 BNGROQZZKLNDIO-KSSFIOAISA-N 423.538 4.640 0 1 HJAF CN(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 253636129 OKVPDEXTEJGPIM-RNJNBHKSSA-N 406.570 4.563 0 1 HJAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccs1 299874089 AUYWLUDNTCFJEI-GRNXMACMSA-N 417.527 4.543 0 1 HJAF Cc1ccc(Nc2ncc([C@@H](NC(=O)c3nccs3)C3CCC3)cc2Cl)cn1 473109479 SCHCEXMOLBCSMV-KRWDZBQOSA-N 413.934 4.910 0 1 HJAF COc1cc(/C=C/C(=O)Oc2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC 473136240 OKSBLKPBSUEVKW-DHZHZOJOSA-N 403.434 4.966 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Cl)ccnc3[nH]2)c1 587047837 ABRDTUUKFLLYER-SREVYHEPSA-N 418.284 4.655 0 1 HJAF FC(F)(F)c1cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 587115557 ZZAKTJCMISJNDX-UHFFFAOYSA-N 411.103 4.820 0 1 HJAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 587194806 BPYCLPJQIAUEHR-SECBINFHSA-N 424.140 4.701 0 1 HJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(C)(C)C 587205804 UHFUGLIGDPYQNW-GFCCVEGCSA-N 414.319 4.946 0 1 HJAF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 587222795 ZZCGARCFUUQFEF-LJQANCHMSA-N 409.486 4.652 0 1 HJAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(C2CC2)n1 587229994 PJJOSYFUQRHKEP-UHFFFAOYSA-N 400.429 4.805 0 1 HJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(Br)c4[nH]3)c2)c1 587232356 RCRCVYQOFIKBOJ-UHFFFAOYSA-N 420.310 4.943 0 1 HJAF O=C(c1coc2ccc(Cl)cc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 587279460 VCKZRAWYOPYDFA-ZDUSSCGKSA-N 421.877 4.509 0 1 HJAF COc1cc(CCC(F)(F)F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587382560 QDMXLKJZJLTQOS-QGZVFWFLSA-N 409.404 4.796 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1cccnc1)O2 587392619 UFZXLWAKELKREZ-HSZRJFAPSA-N 410.477 4.591 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)(C(C)(C)Br)[C@@H](C2)C3=O 587425300 BLGALHLDLXLHHI-RBZFPXEDSA-N 423.253 4.790 0 1 HJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O 587435491 ICNRMPCGEVWEEE-IDISGSTGSA-N 423.468 4.760 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4cc1C(=O)c1ccco1)[C@@H](C2)C3=O 587436147 MNCRITNVQZHKQQ-GKVSMKOHSA-N 411.413 4.556 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1cc(C(=O)OC)ccn1)CC2=O 587485793 KQGNQNFZVQNKJC-HOYKHHGWSA-N 409.482 4.588 0 1 HJAF C[C@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549735 RJJKJIVGSZITKF-WIYYLYMNSA-N 416.351 4.994 0 1 HJAF CC(C)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587594021 JZNJUZNSJNEPDJ-URXFXBBRSA-N 406.434 4.836 0 1 HJAF COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587692730 LOGNOZIMOMNFIR-YYSFKGJASA-N 414.702 4.882 0 1 HJAF CCN1C(C)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(N)ccc21 587776291 XAIVKLVNSXDHGC-GTJPDFRWSA-N 416.338 4.692 0 1 HJAF O=C(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587781002 BFKCRYSGZFOYHK-UHFFFAOYSA-N 413.193 4.630 0 1 HJAF CC(=O)Oc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814100 XUDLAYDNKJHGSB-ASSNKEHSSA-N 420.322 4.896 0 1 HJAF COc1ccc2c(c1)OCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833349 GBKAPPIZIYALDM-YUNKPMOVSA-N 406.295 4.547 0 1 HJAF O=C(COc1nc2ccccc2nc1/C=C\c1ccncc1)Nc1ccc(Cl)cc1 653720505 OATTWFXCIGJXBM-YHYXMXQVSA-N 416.868 4.866 0 1 HJAF CC(C)(C)C1CCC2(CC1)C(=O)N(C1CCCCC1)C(=O)CN2C(=O)c1ccccc1 653872983 KPTXSDFHRUABLA-UHFFFAOYSA-N 424.585 4.805 0 1 HJAF COc1cc2c(cc1OC)[C@@H](c1c(F)ccc(C(F)(F)F)c1F)N(C)[C@@H](C)C2 962642444 UUIIUMGTYBFTRS-OVWNDWIMSA-N 401.375 4.967 0 1 HJAF Cc1c(C(=O)NN2C(=O)CS[C@]23C[C@H](C)CC(C)(C)C3)[nH]c2ccc(Cl)cc12 1911572680 FKOKUWYOLBKVCA-GTJPDFRWSA-N 419.978 4.892 0 1 HJAF CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@@H]2C(=O)[C@@H]3[C@H](C)CC[C@@H]3[C@@H](C)[C@]12O 2356617514 HLAZCJDVEHCLSE-OPNBUTAISA-N 400.559 4.873 0 1 HJAF CC1(C)C=Cc2c(c3c(c4c2O[C@@H](c2ccccc2)[C@H](O)C4=O)OC(C)(C)C=C3)O1 13462586 ZZNMWGVMOBOREI-UXHICEINSA-N 404.462 4.732 0 1 HJAF biogenic COc1ccc(CNCc2ccc(C(=O)NCCCCc3ccccc3)cc2)cc1 13589153 RUZSORNDBCCAAS-UHFFFAOYSA-N 402.538 4.738 0 1 HJAF COc1cccc(C2=NN(C(C)=O)[C@H](c3cc4ccccc4nc3Cl)C2)c1OC 20032700 DFPPWXMKSLEOTK-IBGZPJMESA-N 409.873 4.603 0 1 HJAF CN(C(=O)[C@@H](c1ccccc1)C1CCCCC1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 27734214 WDHDNQZLOUBNAD-NXCFDTQHSA-N 420.597 4.617 0 1 HJAF COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1 28384476 HDBXCACKAXIPCD-UHFFFAOYSA-N 403.482 4.574 0 1 HJAF Cc1cccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]2Sc4ncnc(N)c4[C@H]32)c1 28526350 JEYRDAZJCFJWJF-ZWKOTPCHSA-N 403.511 4.564 0 1 HJAF Cc1cc(/C=C/c2ccccc2OC[C@@H](O)CN[C@H](C)CCc2ccccc2)on1 29231465 MJXYGUDQUMSFBE-VJTRXNGTSA-N 406.526 4.504 0 1 HJAF CCCC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@@H](C/C(C)=C\CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 35086305 WFKXCGWVYJNIRE-XGLLRKHSSA-N 404.547 4.580 0 1 HJAF CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21 58581213 MZBYKKJKLXYZDG-YCIMXXCJSA-N 411.586 4.866 0 1 HJAF CNc1nc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c2ccccc2n1 84596750 LNPBSSLOBRSXPF-UHFFFAOYSA-N 401.445 4.675 0 1 HJAF O=C(C[C@@H](c1ccccc1Cl)C(C(=O)O)C(=O)O)c1ccc(C(F)(F)F)cc1 95574572 FMSJYFCRCKWTID-ZDUSSCGKSA-N 414.763 4.501 0 1 HJAF NC(=S)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc2ccccc12 95581615 RDNWDRUSXRDQOG-IBGZPJMESA-N 410.340 4.997 0 1 HJAF CCc1ccc(C(=O)OCCCc2cn(-c3ccnc4cc(Cl)ccc34)nn2)cc1 103269372 WBYGIXFJJVGAGE-UHFFFAOYSA-N 420.900 4.821 0 1 HJAF CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(C)c4ccc(Cl)cc43)C2)cc1 169699810 QDADGBDIEJVXOH-QGZVFWFLSA-N 418.946 4.638 0 1 HJAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(Oc4ccccc4)c3)C2)cc1 169709181 JOGAENBGRPHHKX-UUOWRZLLSA-N 417.509 4.729 0 1 HJAF O=C(Nc1ccccc1)Nc1ccc([C@@H]2CN=C3c4ccccc4NC(=O)N3C2)cc1 206955109 ZRFLNCPKVPMFER-QGZVFWFLSA-N 411.465 4.722 0 1 HJAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ncc(-c3ccccc3)o2)CC1 299827391 GKDIFYSGHKBGCN-BVSLBCMMSA-N 403.526 4.507 0 1 HJAF Nc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)sc2cc(Br)ccc12 587030928 JVWKWSBOVBJQRR-UHFFFAOYSA-N 416.300 4.951 0 1 HJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587197882 AKVMPYCWXASHCU-UHFFFAOYSA-N 406.486 4.794 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587204448 VEFRHEVJLUOGRM-UHFFFAOYSA-N 406.273 4.782 0 1 HJAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346585 JSVMMONSJCJDFB-IJUABRMXSA-N 412.457 4.628 0 1 HJAF CC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357699 NXWMOJQXNQSXTO-UKILVPOCSA-N 420.436 4.967 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2SC[C@@H]1C 587415341 RFUXZYSRVRFKQR-JEOXALJRSA-N 404.329 4.942 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Cl)c2)c1 587546792 KSUYAQSEVORVJM-NFBKMPQASA-N 418.836 4.934 0 1 HJAF CC(C)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587580614 SUHAVTFULWPGNK-PXDATVDWSA-N 417.461 4.864 0 1 HJAF COc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587710606 TYNRTNYISDGMIR-DYZYQPBXSA-N 418.228 4.937 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCCN(C)C)N1 587741050 LORZZEOKSZIWOA-SPLOXXLWSA-N 421.354 4.542 0 1 HJAF COc1cccc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 587779624 UXYHHZSEBKHNMI-BIBXISHDSA-N 401.279 4.769 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)nc3sccn23)N1 587853577 AKMRQSCMLDUJPS-PWJLMRLQSA-N 414.731 4.749 0 1 HJAF CS(=O)(=O)Nc1ccc(-c2csc(COc3ccc(F)cc3Cl)n2)cc1 587923709 GVYOQNYFOODJIR-UHFFFAOYSA-N 412.895 4.553 0 1 HJAF COc1c(F)cccc1[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962649282 ZWFAYBHORPKWSK-LVXARBLLSA-N 402.513 4.845 0 1 HJAF C[C@]1(c2ccc(CCC(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 1772587676 OUDAHHPZBOGICF-VWLOTQADSA-N 405.469 4.875 0 1 HJAF Cn1c(C[S@](=O)c2ccc(Cl)cc2)c(C(=O)OC(C)(C)C)c2cc(O)ccc21 1772600965 XBURNTSTFBKKPM-NDEPHWFRSA-N 419.930 4.800 0 1 HJAF Cc1c(C(=O)NCc2cccc3ccccc23)[nH]c2cccc(OC3CCNCC3)c12 1857538704 IRFGZCUIAKCKKD-UHFFFAOYSA-N 413.521 4.690 0 1 HJAF COc1cc(C(=O)N[C@@H]2CCCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C 1857774937 HMOMQPHKMPWUKJ-OAQYLSRUSA-N 401.510 4.621 0 1 HJAF CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)c1 205230270 NMXPNQJZZTZGRF-UHFFFAOYSA-N 422.431 4.654 0 3 HJAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cccc2ccccc12 774109 RMSADKULBLXTNS-SFHVURJKSA-N 416.477 4.671 0 1 HJAF COC(=O)[C@H](NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2)c1ccccc1 13762426 UFGKYXQJYBSGBA-XMMPIXPASA-N 422.484 4.645 0 1 HJAF COc1ccc2c(c1)CCC=C2CCCN1CCN(c2cc(OC)ccc2OC)CC1 25988184 PEPKMSKYYWMLTI-UHFFFAOYSA-N 422.569 4.644 0 1 HJAF C[C@H](c1ccccc1)N(C)C(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 28527378 NHAVDVYYCTYPAS-GFCCVEGCSA-N 417.296 4.802 0 1 HJAF Cc1occc(=O)c1OCCCCCOc1c(C)n(C2CCCCC2)ccc1=O 28712732 BWTXIFMGKJHEFV-UHFFFAOYSA-N 401.503 4.552 0 1 HJAF COc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 34384005 IZUYUGMINJJKCN-UHFFFAOYSA-N 401.550 4.886 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C 34801262 NVBZLUSKXDCJBQ-DJVCJAGMSA-N 402.623 4.580 0 1 HJAF CCCN(CCC)CCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 40973853 KIKKWAVFTRJNKI-UHFFFAOYSA-N 411.498 4.762 0 1 HJAF Cn1nc([C@@H](F)C(F)(F)F)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103276831 MDPBVMHLJACLMF-OAHLLOKOSA-N 405.823 4.874 0 1 HJAF COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4C)cc3s2)cc1 103290053 PKCIECLVWUJVCI-SJORKVTESA-N 404.495 4.746 0 1 HJAF CCCN(Cc1ccc(OC)cc1)Cc1cc(O)n2nc(-c3cccc(C)c3)cc2n1 103657105 JWTAUYZIWBTSJO-UHFFFAOYSA-N 416.525 4.831 0 1 HJAF COc1cccc(F)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccnc(-c2ncc(C)s2)c1 166803594 NPKJTUYDYQQLQJ-SCLBCKFNSA-N 411.502 4.771 0 1 HJAF CC(=O)O[C@H]1/C=C(/C)CC(=O)C[C@@H](C)/C=C\[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 169292940 BIVURAJWBKYIFM-VKTIBRSWSA-N 404.547 4.794 0 1 HJAF CCOc1ccc(-c2csc(NC(=O)c3cccc(-n4c(O)ccc4O)c3)n2)cc1 169691811 LNAUUFTZNZIENL-UHFFFAOYSA-N 421.478 4.663 0 1 HJAF COc1cc(OC)cc(N(CC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204167403 LUDGMVDSCQQOMP-UHFFFAOYSA-N 417.513 4.842 0 1 HJAF CCc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1=O 205767159 YRJXFSVQDBZUOD-CQSZACIVSA-N 408.395 4.707 0 1 HJAF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)c(C)c1C 586950903 LYZHZLGKQPYZOR-UHFFFAOYSA-N 420.538 4.968 0 1 HJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(F)c(Br)c2[nH]1 587108577 CKRIUVSIRUIWCV-UHFFFAOYSA-N 403.129 4.849 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 587200321 CSEQOOCAOBVUKU-UHFFFAOYSA-N 415.291 4.842 0 1 HJAF C[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O 587348599 DNHQHXSWNAUIRC-NBCYMOSYSA-N 420.436 4.897 0 1 HJAF O=C(O)[C@@H]1C[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352106 LSVNEBYHPHKWOS-QIRSKFFZSA-N 418.420 4.506 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC[C@H]1Cc1cc(Br)ccc1C2 587373831 VEYLNPNVQWNDCC-PONJGIIJSA-N 412.327 4.869 0 1 HJAF O=C1C[C@H](c2ccc(I)c(O)c2)Oc2c1ccc1c2CCCC1 587501386 CLBCLOARBCHBLX-GOSISDBHSA-N 420.246 4.582 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1ccc(Br)cc1C2 587545449 MJMUHMIGJYSJPG-UGKGYDQZSA-N 423.262 4.654 0 1 HJAF COc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587595814 UAEGLOQKRCOECI-URXFXBBRSA-N 406.434 4.595 0 1 HJAF CC(C)c1c(Cl)ncnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655553 MQIHCIOGIHJDIA-UHFFFAOYSA-N 412.827 4.898 0 1 HJAF Cc1ccc(-c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn2)cc1 587660063 BRKXNTAYXUNSCS-UHFFFAOYSA-N 408.436 4.957 0 1 HJAF CCCCc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)[nH]1 587703152 ZCBTVLVECZWMQA-RFAUZJTJSA-N 400.723 4.931 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)cc2)N1 587745585 JWXFALUGIYOGIB-PEBXRYMYSA-N 411.318 4.997 0 1 HJAF CC1CCC(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1 587766160 FVTWRENUAGRSEJ-ISXOHVOVSA-N 409.387 4.992 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)o3)o2)N1 587827144 HURNTPXYPYGIDQ-APBUJDDRSA-N 404.235 4.877 0 1 HJAF COC(=O)c1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cc1Cl 962399637 RNJQAFYGHKIUAA-HXUWFJFHSA-N 400.931 4.674 0 1 HJAF COc1ccc2c(c1)c([C@@H]1N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)cn2C(C)C 962761225 HFIHYPLVJYADKE-PZJWPPBQSA-N 416.443 4.966 0 1 HJAF COc1cccc2c3c(cnc12)CCN[C@]31c2ccccc2C(=O)[C@@H]1c1ccc(C)cc1 963072435 ZCQCYXLCSBHUQD-LBNVMWSVSA-N 420.512 4.921 0 1 HJAF Fc1cc(I)cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1 963114619 VFMBJQBDHHKZOY-SJLPKXTDSA-N 411.233 4.679 0 1 HJAF O=C(CN1CCC[C@@H](c2nc3ccc(Cl)nc3[nH]2)C1)c1cc(Cl)cc(Cl)c1 1772618192 NNLCFRRUQIPDSH-LLVKDONJSA-N 423.731 4.980 0 1 HJAF COc1ccccc1-n1cc(-c2ccccc2Sc2ccc(C(=O)O)cc2)nn1 1857589678 BCJBLDHFDUJNBP-UHFFFAOYSA-N 403.463 4.792 0 1 HJAF CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3ccc4c(c3)CC[C@H](CCC(=O)O)O4)c2)C1 1857650940 UVTUDSCQHTVDKD-BRWVUGGUSA-N 418.436 4.746 0 1 HJAF C[C@]1(C(=O)Nc2ccccc2F)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61897480 JPWVFMFQYHIWNQ-RUZDIDTESA-N 402.469 4.665 0 3 HJAF CC(C)Oc1ccc(CN2CC[C@@]2(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 61905352 BCLYLNXHYFDDLT-QFIPXVFZSA-N 420.475 4.773 0 3 HJAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 772082 PVLIZRQWKODICW-JTHBVZDNSA-N 422.887 4.930 0 1 HJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4310576 OMPXNOQDDACFGT-GKBFQHABSA-N 424.944 4.913 0 1 HJAF Cc1ccc(S(=O)(=O)N(C)c2cc(-c3ccccc3)sc2C(=O)O)c(C)c1 13589571 CRSZSCVRNCJSPS-UHFFFAOYSA-N 401.509 4.555 0 1 HJAF Fc1ccccc1-c1nnc2c3c(c(OCc4ccccn4)nn12)C1CCC3CC1 13610200 YZRXMMCBUVDBFF-UHFFFAOYSA-N 401.445 4.659 0 1 HJAF CC(C)=CCc1cc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(O)cc1O 14727583 DOIZJNYCODFLMO-SFHVURJKSA-N 424.493 4.885 0 1 HJAF biogenic CN1C[C@H](CCN(Cc2ccccc2)Cc2ccccc2)Oc2ncccc2C1=S 26281569 FHTLTVMHAMUUGG-QFIPXVFZSA-N 417.578 4.542 0 1 HJAF CCC[C@@H]1Cc2cc(OCc3ccc(-c4nnn[nH]4)cc3)c(Cl)c(Cl)c2C1=O 28344138 TXMQCTWFGCLXEB-CYBMUJFWSA-N 417.296 4.908 0 1 HJAF COc1cc2c(cc1OC)Cc1ccccc1CCN(CCc1ccccc1)CC2 28567722 ZOYFGQMKVZZMJK-UHFFFAOYSA-N 401.550 4.938 0 1 HJAF CCN1CCC[C@@H](Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)C1 31717316 ZGCXEEXDIAIOOK-GFCCVEGCSA-N 420.348 4.608 0 1 HJAF CCN(CC)CCCCc1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40380025 UHACBQYGMQICPT-DEOSSOPVSA-N 411.542 4.555 0 1 HJAF O=C1Nc2ccccc2C(=O)[C@@H]2C[C@@H](c3cccc(Cl)c3)[C@](O)(c3ccccc3)[C@@H]12 40564083 RJTQZIIUQALUQS-BVVSVSJTSA-N 417.892 4.783 0 1 HJAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2cccc3ccccc23)cs1 82195302 BFMYLFNRJPEPEP-FQEVSTJZSA-N 411.571 4.943 0 1 HJAF Clc1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587042651 VCSIAENDZXLDBZ-LSDHHAIUSA-N 408.752 4.925 0 1 HJAF Cc1cc(Br)cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587147311 KVXVXJRIPCJGDF-UHFFFAOYSA-N 403.230 4.980 0 1 HJAF COc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)nn1-c1ccccc1F 587157178 XIQAEPUEYBVIAY-UHFFFAOYSA-N 423.192 4.604 0 1 HJAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352816 YAVZXOUSVXFCDJ-OTORRXBSSA-N 412.457 4.628 0 1 HJAF COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393487 HRMDBVLGPHKRJL-OAQYLSRUSA-N 413.477 4.915 0 1 HJAF COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1Cl)([C@@H]1CCOC1)[C@@H](C2)C3=O 587418816 AZBSQUHNXPSDOW-PKQAIAMASA-N 405.277 4.681 0 1 HJAF CC(C)(C)OC(=O)n1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccnc21 587516783 WNYLZLWNOCZMPT-IBGZPJMESA-N 419.481 4.800 0 1 HJAF O=C(COc1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657293 UAACTMDRJPMUGL-UHFFFAOYSA-N 408.816 4.575 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccn2)N1 587679972 NFHZJKDHFUZRBO-JDNHERCYSA-N 414.116 4.543 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2NC(=O)C(C)(C)C)N1 587746176 YRGOMBARRWESQG-BBATYDOGSA-N 420.326 4.591 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2CCc2ccccn2)N1 587752794 GETIXAWIUXALDB-LHSJRXKWSA-N 414.322 4.651 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(CC3CCCCC3)n2)N1 587766433 WBFUGKVNCVXLCM-RBZFPXEDSA-N 406.343 4.989 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)C(=O)N3)N1 587790365 CHOHFHYKTXFNGQ-WSVYEEACSA-N 417.322 4.616 0 1 HJAF Cc1cccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587800086 ZWLCIWSHLUAEFO-ODXCJYRJSA-N 400.295 4.910 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(OC)c1 587858698 MUIGPLIUKWFVBA-UHFFFAOYSA-N 421.280 4.983 0 1 HJAF COc1ccc2c(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc(C)nc2c1 587867796 BKJOUNASUKHVTR-UHFFFAOYSA-N 414.387 4.827 0 1 HJAF Oc1cc(C2CCCCC2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587945334 KQFTVVHWZWEDCP-UHFFFAOYSA-N 405.857 4.962 0 1 HJAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(F)c3)n3c2CCOCC3)cc(C)n1 1772620326 GSBKIGNHMRALSX-UHFFFAOYSA-N 403.404 4.542 0 1 HJAF Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(CC(C)C)n(-c2ccccc2)n1 1772632882 OXNBBYLIIRUEBW-UHFFFAOYSA-N 417.962 4.511 0 1 HJAF C[C@H]1c2ccccc2N(CCOC(C)(C)C)C[C@@H](C)N1C(=O)NCc1ccccc1 1772633666 NCGFNLQQRQDDEQ-UXHICEINSA-N 409.574 4.983 0 1 HJAF CCOP(=O)(OCC)[C@H](N(O[C@@H](C)c1c[n+](C)cn1C)C(C)(C)C)C(C)(C)C 1857579519 SWPSBFJFCWSDLA-WMZOPIPTSA-N 418.539 4.581 0 1 HJAF COc1cc(Cn2c3ccc(C(C)=O)cc3c3ccnc(C)c32)cc(OC)c1OC 1857610917 RLCHXBNVDNOTRG-UHFFFAOYSA-N 404.466 4.775 0 1 HJAF CNCCN1CCC(c2ccc3c(c2)c(C)c(-c2ccc(OC)c(OC)c2)n3C)CC1 1911585317 BURIGXCCUMGPAA-UHFFFAOYSA-N 421.585 4.570 0 1 HJAF Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]3F)[nH]c2c1 2356300830 YIEPTGZDHRUYHX-LPHOPBHVSA-N 407.411 4.629 0 1 HJAF C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OCCc3ccccc3)c2)CC1 2356364713 WWZGRLMHQUMKNE-WPWBMXPQSA-N 408.538 4.869 0 1 HJAF CC(=O)OCC=C(C)C[C@H](O)[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]12C 2356461186 XSWLZHVYMDZOHK-HZQHDGKWSA-N 406.563 4.587 0 1 HJAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 773439 HNHJUBSOOZVJHN-UXHICEINSA-N 424.472 4.580 0 1 HJAF O=S(=O)(c1ccccc1)c1c(-c2nc3c([nH]2)CCCC3)[nH]c2ccc(Cl)cc12 5974647 HYJNEINDEAJDLR-UHFFFAOYSA-N 411.914 4.923 0 1 HJAF Cc1ccc(-c2c(C(=O)N3CCn4c3nc3ccccc34)oc(=O)c3ccccc23)cc1 9678350 CRBJFWBFVJYWPC-UHFFFAOYSA-N 421.456 4.779 0 1 HJAF O=[S@@]1c2cc(Cl)ccc2[C@@H](OCc2ccsc2Cl)[C@H]1Cn1ccnc1 13775809 SGGPTWOKOWSTAR-RKPUJPDHSA-N 413.351 4.699 0 1 HJAF Cc1noc(NS(=O)(=O)c2cc(O)ccc2-c2ccc(CC(C)C)cc2)c1C 13782453 GTYWANZAOHNPBK-UHFFFAOYSA-N 400.500 4.663 0 1 HJAF CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)C(C)C)c(O)c3c(c12)OC(C)(C)C=C3 14586140 PDBRSWMFWMQYGK-OAHLLOKOSA-N 414.454 4.536 0 1 HJAF biogenic CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1)CC(=O)O 26152628 OCNRABZYCNHLGX-QGZVFWFLSA-N 401.812 4.885 0 1 HJAF C[C@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccccc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 27405979 BXNNFPHCTNPRQD-SYEHWYHSSA-N 402.538 4.733 0 1 HJAF Cc1ccc(-c2nc(CCC(=O)c3ccc(/C=C4\SC(=O)NC4=O)cc3)c(C)o2)o1 29485101 YDWWGSAVCFQUMJ-ODLFYWEKSA-N 422.462 4.691 0 1 HJAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](N(C=O)Cc5ccccc5)CC[C@@H]4[C@H]3CC[C@@H]12 36189598 PIZOWAHAZOYXFC-LPKPSGCPSA-N 422.613 4.877 0 1 HJAF CC(C)C[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc21 58582998 FFCRZVXHFYDIEM-KRWDZBQOSA-N 402.901 4.705 0 1 HJAF Cc1ccc(CN[C@H](c2nc(-c3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1 72101279 MROUEBKJGYOGSH-QFIPXVFZSA-N 403.526 4.728 0 1 HJAF COc1ccc(Cl)c(-c2nc(C(F)(F)F)c3c(C)nc4ccc(OC)nc4n23)c1 73169359 RPRWDECRYAMVMA-UHFFFAOYSA-N 422.794 4.942 0 1 HJAF O=C(OCCC1CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085540 WZOJQEWICMTZEE-KRWDZBQOSA-N 402.516 4.521 0 1 HJAF COc1cc2nc(N3CCCCCC3)nc(NCCc3ccccc3)c2cc1OC 82128522 LKOOOVHPNOTRDB-UHFFFAOYSA-N 406.530 4.682 0 1 HJAF CCOC(=O)[C@H](CC)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 95558711 BRNZVCSYLHOXPF-QFIPXVFZSA-N 407.466 4.578 0 1 HJAF Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=C(c1ccccc1)N2 102820166 IRITUHHODVYQMM-IBGZPJMESA-N 410.452 4.617 0 1 HJAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@@H]1CCOC1 169711121 NLDGWRVWWZGYFC-FCEUIQTBSA-N 424.585 4.714 0 1 HJAF CC1=C[C@@H](C/C(C)=C/CC[C@@]2(C)Oc3c(c(=O)oc4cc(O)ccc34)[C@@H]2C)OC1=O 205225729 QZBUJGPGJAQWIM-IEQXWEAJSA-N 410.466 4.742 0 1 HJAF COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)oc12 586903711 LOZIHIOPVBKDQQ-UHFFFAOYSA-N 407.170 4.838 0 1 HJAF COc1nccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587019088 GDRXNNGZURWWIB-UHFFFAOYSA-N 407.318 4.505 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncc(Cl)c3[nH]1)N2 587030415 DRVWLJGLZHJZFX-DKBJHAQFSA-N 405.936 4.738 0 1 HJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Cl)ccnc3[nH]1)N2 587030560 FRGWDLIHDLQQHC-NJQKBMNKSA-N 405.936 4.738 0 1 HJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587113940 PAWNWGNCDYCEOX-JTQLQIEISA-N 420.179 4.865 0 1 HJAF CC[C@H](C)n1ncc(I)c1-c1nc2c(F)cc(Cl)cc2[nH]1 587179793 AECXALPPVVDTDQ-ZETCQYMHSA-N 418.641 4.795 0 1 HJAF COc1cc2c3c(c1)O[C@H](c1csc(COc4ccc(Cl)cc4)n1)[C@@H](C2)C3=O 587450859 LJTXZOPZGYQWPU-BTYIYWSLSA-N 413.882 4.873 0 1 HJAF COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1cccs1)[C@@H](C2)C3=O 587452634 RVBCHJLMVSLINF-WNSKOXEYSA-N 402.475 4.519 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587579827 QRTHRFDLEABUMV-RCZVLFRGSA-N 417.461 4.758 0 1 HJAF Nc1ccc2c(c1)Oc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582316 ZPFRXVSZNFNNFL-JYFHCDHNSA-N 423.424 4.986 0 1 HJAF CC(C)n1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587711174 WDMSFTKLUYDDBB-MGPLVRAMSA-N 420.248 4.706 0 1 HJAF CCc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587746182 YSFUHCSIRNQNOD-ZSEKCTLFSA-N 419.338 4.929 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587799954 VGVKHPHJEKCAJO-QHLBDZCJSA-N 406.295 4.510 0 1 HJAF CC[C@]1(c2ccc(OC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587813333 UYLQUMIKAYUEOM-MPBGBICISA-N 406.295 4.701 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)N1 587825240 GRMRCKHAZDRQKP-MYCJXMEPSA-N 408.355 4.669 0 1 HJAF CCc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(F)c1F 963175427 BOMANTHEOQPHHY-PXAZEXFGSA-N 419.777 4.888 0 1 HJAF COc1cc2c(cc1OCC1CC1)[C@H](CCc1c[nH]c3cc(C)ccc13)N(C=O)CC2 1857545121 ADOIAAOBUDGHPM-DEOSSOPVSA-N 418.537 4.962 0 1 HJAF c1ccc(CN2CCc3nc(=NCc4ccc(Oc5ccccc5)cc4)[nH]cc3C2)cc1 1857601708 KCFMDGJFIXFKDS-UHFFFAOYSA-N 422.532 4.861 0 1 HJAF CN(C)c1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 1857602160 DEDWFONHOLLSGG-UHFFFAOYSA-N 422.838 4.541 0 1 HJAF CO[C@@H]1O[C@]2(OC)CC[C@H](C)[C@@H]2[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@H]2C(C)=CCC=C(C)C 2356432444 AYMKZCCQRACJSK-HYKSFCOBSA-N 406.563 4.865 0 1 HJAF CC1(C)C=Cc2c(cc3c(c2O)C(=O)[C@H](c2cc(O)c4c(c2)C=CC(C)(C)O4)CO3)O1 2356476463 JMJCGYRWPLXSED-INIZCTEOSA-N 420.461 4.825 0 1 HJAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@]35CC[C@]12C 2356523511 UTMAHFHENBGQND-SPTGXSKESA-N 416.694 4.934 0 1 HJAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4043241 AUCQBQVOULQCDH-PZJWPPBQSA-N 417.912 4.553 0 1 HJAF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)cc1)O2 13378640 WCWOWFQELCQQCI-ZAZHNGRFSA-N 424.493 4.716 0 1 HJAF biogenic,in-vitro COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@H]2C)cc1 13450704 ZBCRNIFALVNVKY-MAUKXSAKSA-N 420.475 4.585 0 1 HJAF in-vivo O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1 13611710 CIFXQNAOTAZMDH-UHFFFAOYSA-N 419.550 4.691 0 1 HJAF Cc1ccccc1-c1nc2cc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)ccc2[nH]1 13652035 OVIGZMABGCIOMY-UHFFFAOYSA-N 422.536 4.833 0 1 HJAF O=C(Nc1c(O)cc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccccc1 28642676 JFCDKCMLPYSMPY-UHFFFAOYSA-N 407.809 4.777 0 1 HJAF CC1(C)CC(=O)c2sc(N3CCOC[C@H]3Cc3cccc4ccccc34)nc2C1 40406165 ZVNRYRQQVKJSFS-GOSISDBHSA-N 406.551 4.899 0 1 HJAF COc1c(OCc2ccccc2)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72116882 CNEITGDRTCOSGQ-HXUWFJFHSA-N 415.489 4.755 0 1 HJAF CCCOc1ccc(C(C)=O)cc1CSc1nc2cc(F)ccc2n1CC(=O)O 84668859 UZHJIJAZDSBJPE-UHFFFAOYSA-N 416.474 4.544 0 1 HJAF C[C@H]1CCCN(C(=O)c2nc(Nc3cc4c(cc3F)OCO4)sc2Cl)[C@@H]1C 96283029 GGKQWFQQUMWVOB-VHSXEESVSA-N 411.886 4.669 0 1 HJAF C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1 100382216 ICOAPDOBTUNNPQ-QRQLOZEOSA-N 419.577 4.796 0 1 HJAF O=C(NC[C@@H]1CCCO1)c1cc2c3ccccc3nc-2c(-c2cccc(Cl)c2)[nH]1 102644976 MOBVHKOGJXZESP-INIZCTEOSA-N 405.885 4.897 0 1 HJAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](c2cccc(Cl)c2)NC(=S)N1 103296564 MXWJTZYGVILJDJ-INIZCTEOSA-N 410.301 4.564 0 1 HJAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4ccccc4)nn32)cc1OC 104036490 DNIODSJCGPKQBJ-OAQYLSRUSA-N 402.454 4.634 0 1 HJAF COc1ccc(-c2sc(C(=O)O)cc2-c2cc(OC)c(OC)c(OC)c2)cc1 137955977 NOCHCUKYIGVNDM-UHFFFAOYSA-N 400.452 4.815 0 1 HJAF Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1C 168346090 RWQHGOQLSUVKOE-UHFFFAOYSA-N 415.463 4.810 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(CC)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169323797 GLSZMIVCBQXSEA-LWDIIJGKSA-N 402.623 4.725 0 1 HJAF O=C1c2cc(-c3ccc(C(F)(F)F)s3)ccc2OCCN1Cc1ccccn1 206213574 IXUHIUNJXWZIJI-UHFFFAOYSA-N 404.413 4.864 0 1 HJAF C[C@H]1CC[C@H]2[C@@H](C)[C@H]3CC[C@@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255238622 MWBJDDYEYGDWCZ-QGWKJZDFSA-N 413.646 4.771 0 1 HJAF O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCC2)nn1Cc1ccccc1 299826141 ZEWYSXWXUBWGAG-UHFFFAOYSA-N 421.504 4.812 0 1 HJAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(F)c3[nH]2)C[C@@H](C)O1 586967784 DYVPHWVNEVVRGJ-ZIAGYGMSSA-N 423.517 4.551 0 1 HJAF O=C(c1ccccc1)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007460 YUPCPZJGPBEUNQ-UHFFFAOYSA-N 417.266 4.871 0 1 HJAF COC(=O)c1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cn1 587046980 QNFDQVMOJJBYQZ-AATRIKPKSA-N 415.877 4.612 0 1 HJAF CN1CCN(c2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)CC1 587052266 ZDBLCPHJKZZZJJ-GJZGRUSLSA-N 401.341 4.893 0 1 HJAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(F)cc3[nH]2)CC1 587092732 XKUNGPZOXBCBAL-UHFFFAOYSA-N 417.403 4.507 0 1 HJAF O=C(O)c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1F 587124429 WYTTXSKJZGAVEJ-UHFFFAOYSA-N 400.353 4.732 0 1 HJAF Cc1ccc2c(ccc3nc(-c4cc(I)ccc4F)[nH]c32)n1 587182692 OKCXCZBYMASYIF-UHFFFAOYSA-N 403.198 4.830 0 1 HJAF C[C@@]1(c2ccc(C(=O)O)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336611 UIKWBONSKQDPMS-REWPJTCUSA-N 410.372 4.643 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3SCCS[C@H]32)[C@H]1c1ccc(F)cc1 587372140 HSKCNNLSZZLIDY-FMWKFLBASA-N 402.512 4.640 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(Br)c1)O2 587377952 QSEZZNKVJYKHET-HNNXBMFYSA-N 411.093 4.809 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC13CCN(C(=O)OC(C)(C)C)CC3)O2 587398859 IPLQDVNZEINIQY-DEOSSOPVSA-N 414.546 4.873 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C(C)(C)C1)CC2=O 587478463 SICXKEZTVFUZPY-HSZRJFAPSA-N 403.519 4.858 0 1 HJAF COCOc1ccccc1[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516090 UPFRTBPYTMFXQR-SANMLTNESA-N 415.489 4.852 0 1 HJAF C[C@@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553623 FYKBWGCVRICLAF-XLIONFOSSA-N 401.340 4.683 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)ccc2F)N1 587729628 WGXVHJFNUIJBNG-UOWDBTKRSA-N 418.079 4.508 0 1 HJAF Cc1cccnc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756497 RQYWEKVVRJZJMF-DJJJIMSYSA-N 400.295 4.706 0 1 HJAF C[C@H](NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587758003 WDLLTAGBZZBNKX-YPENRWOSSA-N 419.338 4.605 0 1 HJAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587876901 XYCYROUPVQYGSE-ZDUSSCGKSA-N 401.438 4.472 0 1 HJAF Nc1cccc(Br)c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962695807 FMTMJTCAFXEKPS-BLVKFPJESA-N 407.352 4.623 0 1 HJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(CCCC[C@H]2c2ccc(Br)cc2)N1 962896042 ITLHBIFXDQTIJX-CUWPLCDZSA-N 418.306 4.740 0 1 HJAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@@]21C 2356534824 JXAWKPXWXJLUMA-VXOYWXQRSA-N 416.558 4.795 0 1 HJAF CN(C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 3581390 JAZMZJDLZUDIDG-NSCUHMNNSA-N 400.316 4.709 0 1 HJAF in-vivo CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2cccc(Cl)c2)OCO3)cc1 13530435 HOCIPMUGIXFPGR-UHFFFAOYSA-N 400.883 4.730 0 1 HJAF CCCC[C@H]1NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833599 XAAHVRZYKXNCEC-QFIPXVFZSA-N 406.526 4.813 0 1 HJAF O=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 28645321 XHWIJMYLOJKSST-UHFFFAOYSA-N 424.785 4.962 0 1 HJAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C)NC23CCCCCC3)c2ncccc2c1 29128368 ZSKFKVKUKZEPNK-OALUTQOASA-N 424.589 4.695 0 1 HJAF COc1ccc([C@H](c2ccc(OC[C@@H](O)CN3CCCC3)cc2)c2cccs2)cc1 29131478 KPBUBWFUFSHFSA-SQJMNOBHSA-N 423.578 4.772 0 1 HJAF COc1ccc([C@@H](OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 40876358 PLNKPZJIUDXZNC-SESVDKBCSA-N 408.464 4.528 0 1 HJAF COC(=O)[C@@H]1[C@@H](C)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 58541549 SZHSMACEHOEENA-PEBXRYMYSA-N 405.519 4.678 0 1 HJAF COc1cccc(C2=Nc3nc4ccccc4n3[C@](C)(c3cccc(OC)c3)C2=O)c1 66101934 MYQJVSMXHWOCMW-RUZDIDTESA-N 411.461 4.521 0 1 HJAF CC(C)N(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)COc1ccccc1 95601037 IHVRBOPGPZFOEM-UHFFFAOYSA-N 419.403 4.571 0 1 HJAF COC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1 116235509 UONKVPSAMIUNOO-UHFFFAOYSA-N 417.421 4.809 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3ccc(F)cc3)cnc3ccc(F)cc23)CC1 201539251 SVPWDZAIPPRYSU-UHFFFAOYSA-N 402.466 4.582 0 1 HJAF N=c1[nH]c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc-2c(Cl)[nH]1 586997748 DJJIYWHISTZKRT-SOFGYWHQSA-N 416.666 4.563 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587026745 MLNYCBAKIDQYIH-JQFCIGGWSA-N 401.482 4.978 0 1 HJAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)c(Br)cnc3[nH]2)n1 587118885 QPVCPPNODGLYQR-UHFFFAOYSA-N 420.620 4.515 0 1 HJAF CC(=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154141 KEZBSYHUNWFICJ-UHFFFAOYSA-N 403.413 4.589 0 1 HJAF CC(C)CCOc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587249669 RALQUKJPEQZYTL-UHFFFAOYSA-N 418.291 4.698 0 1 HJAF COc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354254 ANVXBNJTXVSIAZ-QPPBQGQZSA-N 406.409 4.577 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1Br)[C@@H](C2)C3=O 587414175 UGGCQRJCMMXBIO-DYZYQPBXSA-N 424.088 4.709 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(ccn4C(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587432175 UIDGIJHJFCZIOV-JTSKRJEESA-N 405.450 4.922 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(C)ccn3c1Br)CC2=O 587459872 QINZHIRPMKMGFK-INIZCTEOSA-N 415.287 4.770 0 1 HJAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1OC 587547834 UXHFGVAQOZRJQO-LAUBAEHRSA-N 412.825 4.766 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587605240 YNPVKXGPGQEBHH-RDGATRHJSA-N 418.445 4.731 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccs2)nc1 587614790 UKZXVZXMKWWPKZ-RXVVDRJESA-N 402.431 4.614 0 1 HJAF C[C@]1(c2ccc3nc(O)sc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617520 JYEYRLIHKAUNOK-PGRDOPGGSA-N 405.431 4.585 0 1 HJAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc(OCc2ccccc2)cc1 587654084 HMWUJUBJIHWAHB-UHFFFAOYSA-N 421.909 4.874 0 1 HJAF COc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587709421 MJMBFCPOBFYGPR-QGHHPUGFSA-N 418.228 4.937 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2-c2ccccc2)N1 587755881 BGVXZFDSFYJYKV-RBZFPXEDSA-N 400.295 4.572 0 1 HJAF COCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587797502 VRDGBZJAECTUJE-XCLFUZPHSA-N 408.311 4.627 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2nc(-c3ccccc3)no2)N1 587797737 SEVDMDRNKNPOMW-FKIZINRSSA-N 416.294 4.630 0 1 HJAF Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587828273 OKLWFHFXZNESTA-XCLFUZPHSA-N 406.295 4.539 0 1 HJAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](C2(c3ccccc3)CCCC2)N1 962623344 BKBXJWZPATYXQJ-VQIMIIECSA-N 405.416 4.737 0 1 HJAF c1ccc(CC2CCN(CCCn3nnnc3-c3cccc4ccccc34)CC2)cc1 1772612803 BGQYQLGWRUPAFF-UHFFFAOYSA-N 411.553 4.838 0 1 HJAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356435660 JVGYVFLADYRWMJ-MWULTPTKSA-N 402.619 4.860 0 1 HJAF FC(F)(F)c1cc(CCN2CCNC[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 61948902 DESSZWJLWTVHBH-GOSISDBHSA-N 402.382 4.913 0 3 HJAF O=C1/C(=C/c2cc3c(=O)c4ccccc4sc3s2)NC(=S)N1c1ccccc1 1647509 STVGZEPRWJQVLV-WJDWOHSUSA-N 420.540 4.738 0 1 HJAF CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 6725259 MZHNWFRXQJYOIJ-NHCUHLMSSA-N 406.507 4.696 0 1 HJAF COc1ccc(C[C@H](C(=O)O)C(C)C)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 12358290 IBDGAOTUTCCWQU-KRWDZBQOSA-N 423.431 4.543 0 1 HJAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCCC[C@@H]3C=C21 13310393 KXKULRKSUHFWLX-VFNWGFHPSA-N 407.510 4.737 0 1 HJAF biogenic C=C[C@]1(C)C[C@](O)([C@H]2O[C@@]2(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21 14823601 DWOGRBCRLCTXJF-FQUZAXHOSA-N 410.510 4.920 0 1 HJAF biogenic COc1ccc(N2Cc3cc(C)cc(C)c3C2=O)cc1OCCN1CCC(C)CC1 28819820 CWYLHTHVLKCZIJ-UHFFFAOYSA-N 408.542 4.583 0 1 HJAF CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823168 KVAXCDFYKXYUNJ-CYBMUJFWSA-N 402.343 4.870 0 1 HJAF CCO[C@H](Cc1cccc2c1ccn2CCc1nc(-c2ccccc2)oc1C)C(=O)O 40812417 XAGKAHDCKRCLLG-HSZRJFAPSA-N 418.493 4.880 0 1 HJAF CC(=O)O[C@@H]1[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1OC(C)=O 40862640 ZRIFHZYKUAYXCS-PPKADXTISA-N 402.531 4.881 0 1 HJAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)NCc2ccccc2)c1 82146643 OCZJZEQUYAFXSJ-UHFFFAOYSA-N 400.526 4.618 0 1 HJAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2cc(C)ccc2s1 84652332 LVCFVGSYDZTWOH-UHFFFAOYSA-N 400.301 4.629 0 1 HJAF Clc1ccc2c(c1)[C@]1(CN3CCC(Nc4ncccn4)CC3)C[C@@H]2c2ccccc21 100021790 WQRWGWWLRZNMDS-BWKNWUBXSA-N 416.956 4.842 0 1 HJAF Cc1ccc(-n2nc(-c3nnc(Nc4ccccc4F)s3)c(=O)cc2C)c(C)c1 103280733 USPFVLBJFHULTP-UHFFFAOYSA-N 407.474 4.559 0 1 HJAF Cc1cc(N[C@H](CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)nc2ccccc12 148718796 AIBSNCWVPJSECP-JOCHJYFZSA-N 419.525 4.947 0 1 HJAF COc1cc(N[C@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 169321327 ACGILVOUJMSCRZ-QZTJIDSGSA-N 400.611 4.839 0 1 HJAF Cc1cc2c(Cl)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 219017591 CMGHBJGVIZELJX-UHFFFAOYSA-N 403.917 4.640 0 1 HJAF C[C@@]12CC[C@@]34CC[C@H](C5=CC(=O)OC5)[C@@](C)(CC[C@]3(C)[C@]1(C)CC[C@H](O)C2)C4=O 238741057 JERJZGUDOYHMFI-NPHYLBLGSA-N 400.559 4.593 0 1 HJAF COc1cccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1OC 254201562 UGEUDCCVECRBFX-ZWSUVBHBSA-N 403.526 4.651 0 1 HJAF CN1C[C@](O)(c2ccc(-c3ccc(Br)s3)cc2)O[C@H]2CCCC[C@H]21 261100543 GFRMFVSDSQREBC-JTDSTZFVSA-N 408.361 4.596 0 1 HJAF in-vitro CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(C)c2[nH]1 586972311 HAVBJXDZEVZZAF-QGZVFWFLSA-N 418.360 4.744 0 1 HJAF COC(=O)CCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992729 SRECLQBLKYHHMK-UHFFFAOYSA-N 409.441 4.924 0 1 HJAF Cc1cc(Cl)cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587002464 GFEDBIQYOHKZBU-SNVBAGLBSA-N 405.679 4.923 0 1 HJAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc3ncccc3c2[nH]1 587167264 JYOQIWGZGREEBG-UHFFFAOYSA-N 424.482 4.780 0 1 HJAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc4c(cc32)OCCO4)[C@@H]1c1ccc(F)cc1 587355656 FNCMMFQEKHIDBJ-NOZRDPDXSA-N 418.420 4.503 0 1 HJAF COC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587375206 LNZLNWMAMMYMRY-SIKLNZKXSA-N 412.438 4.654 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)O2 587386934 YASPAIHEJUWVBP-DEOSSOPVSA-N 405.425 4.962 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)O2 587401910 SYDFARRDOMCHBV-WIOPSUGQSA-N 417.461 4.663 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(C(=O)OC)c1)CC2=O 587459920 ZQMQMDPIBOQRLI-GOSISDBHSA-N 419.271 4.600 0 1 HJAF CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(c1ccccc1)CC2=O 587467515 ANSPWVHKHLLQKE-XMMPIXPASA-N 411.498 4.730 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1ccccc1)CC2=O 587478856 BZKVQXCFLCGZEK-XMMPIXPASA-N 410.466 4.577 0 1 HJAF C[C@]1(c2ccc(O)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549727 RJJKJIVGSZITKF-GHTZIAJQSA-N 416.351 4.994 0 1 HJAF CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587557476 RXZANEWUTAZAOG-VQIMIIECSA-N 418.371 4.720 0 1 HJAF Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)no1 587577816 PCYPDZCEVFHWRG-QPPBQGQZSA-N 416.433 4.799 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(NCc1ccccc1)CC2 587579742 OXQFEVQXSJEBOA-CXSPSCEVSA-N 415.489 4.825 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nccs1 587618352 NYPLLWXRYLDHIT-AUSIDOKSSA-N 401.443 4.754 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2c(F)cccc2F)N1 587719044 KDQALDRYQPHICS-DYBLOJMWSA-N 422.248 4.880 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2Cn2ccnc2)N1 587752083 BMAFUQNNYBEFIH-PTSWNOGYSA-N 406.343 4.795 0 1 HJAF CCOC(=O)[C@@H]1CCCCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587793334 DJBYQEVTCFHCIO-KPHUOKFYSA-N 412.343 4.851 0 1 HJAF COc1ccc2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc2c1 587869966 WNBXONUMYYGYTE-UHFFFAOYSA-N 406.389 4.580 0 1 HJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(C(=O)O)=CN(C(C)C)c1ccccc12 962955427 MGXVKCGMZOYBGI-LMKMVOKYSA-N 401.510 4.533 0 1 HJAF O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Cl)cc1Cl 1772580997 AIGYYZQYCLTLQL-UHFFFAOYSA-N 414.336 4.936 0 1 HJAF FC(F)(F)c1cnc(N2CCC(NC(=S)Nc3ccccc3)CC2)c(Cl)c1 1857585624 PFHNNBGPLVNGEV-UHFFFAOYSA-N 414.884 4.709 0 1 HJAF O=C(C=Cc1cccs1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 1857590243 MVMNMTXHGIYCCR-UHFFFAOYSA-N 412.515 4.830 0 1 HJAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1 1857612429 GRRARQOFQOLEAH-ASSNKEHSSA-N 406.375 4.624 0 1 HJAF COc1ccc2cc1Oc1cc(ccc1OC)CC[C@H](N1CCN(C)CC1)CCCC2 1857614405 LXDUUMZDIJIMSU-JOCHJYFZSA-N 424.585 4.771 0 1 HJAF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc(O)c(OCCc3ccccc3)c2)CC1 2356364712 WWZGRLMHQUMKNE-RZTXVSJASA-N 408.538 4.869 0 1 HJAF CC(=O)Oc1c(C(C)C)cc(C=O)c2c1O[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]21C 2356657912 XWAMMEGQPHELCK-FIXSFTCYSA-N 416.514 4.913 0 1 HJAF O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1O 13493250 DCUQGGIBGKLOAM-UHFFFAOYSA-N 420.475 4.976 0 1 HJAF O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 20201672 FYGGGUWTSLHUGX-JOCHJYFZSA-N 410.989 4.942 0 1 HJAF COC(=O)C(C)(C)CCCOc1cc(C)cc(OCCCC(C)(C)C(=O)OC)c1 25980267 FKLCZJHVUKGYSB-UHFFFAOYSA-N 408.535 4.711 0 1 HJAF CN(C)c1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1Cl 28381460 FDCKKKZNQLOMBU-UHFFFAOYSA-N 422.884 4.666 0 1 HJAF CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(CC)CC)s1 28827416 VSPRMKGOKMURIX-KRWDZBQOSA-N 423.529 4.791 0 1 HJAF CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 29410768 QFSPSYBWCGPXGH-UHFFFAOYSA-N 411.523 4.988 0 1 HJAF CCCCCC12CCC(c3nc4c([nH]3)c(=O)n(CCC)c(=O)n4CCC)(CC1)CC2 40567940 HXZDBSNGCKBXGM-UHFFFAOYSA-N 414.594 4.879 0 1 HJAF CCCOc1cc2c(cc1OCCC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 40846697 JYIVCTHQBVRNOF-UHFFFAOYSA-N 408.518 4.945 0 1 HJAF CN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 42892185 ZAFTWOVROZMXTK-OAQYLSRUSA-N 420.384 4.725 0 1 HJAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCC3)n2)cc1 43068988 HONHICONPPFBQI-UHFFFAOYSA-N 414.449 4.668 0 1 HJAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccco2)C1 82224914 OMBYGVFPQYKGLK-MSOLQXFVSA-N 404.514 4.999 0 1 HJAF O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)N1CCCC1 101051336 ZATVUPWKSGXWDZ-UHFFFAOYSA-N 412.493 4.860 0 1 HJAF C[C@@](O)([C@H]1CCCNC1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920029 GKFMYDYALVUXPQ-QVOKAEAISA-N 403.651 4.757 0 1 HJAF O=C(/C=C/c1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164851196 MNAMTOJKIFAIGB-FMIVXFBMSA-N 406.449 4.667 0 1 HJAF COC(=O)/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)S(=O)(=O)c1ccccc1 473248206 LROKMFKLECROCP-CJLVFECKSA-N 417.486 4.823 0 1 HJAF COC(=O)c1ccnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015898 XJANRXXAXVQQJW-UHFFFAOYSA-N 405.266 4.842 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@@H]2CCCC[C@H]21 587027014 OLYFGTSKEQBZDC-IMJJTQAJSA-N 400.935 4.748 0 1 HJAF Fc1cc(C(F)(F)F)ccc1-c1nc2cccc(I)c2[nH]1 587108936 CWTRBLZBOZXADT-UHFFFAOYSA-N 406.120 4.992 0 1 HJAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 587183453 ZJVGAKOBNFHVIP-ZETCQYMHSA-N 421.069 4.589 0 1 HJAF COC1=C(Br)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587323031 JDZIZNXMDMWHSL-XLIONFOSSA-N 419.246 4.676 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1NC(=O)OC(C)(C)C)O2 587379862 LLNVERDTXFLPIS-MRXNPFEDSA-N 403.866 4.679 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587474937 ILDRFUNQAGZQCD-WNSKOXEYSA-N 403.519 4.858 0 1 HJAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2=O 587475541 PFVBOWDGYZNTRP-QRWLVFNGSA-N 403.519 4.716 0 1 HJAF CCCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587483736 FTKCDMWYYIUBQG-NRFANRHFSA-N 402.512 4.625 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3sc(C(=O)O)c(C)c3c1)CC2=O 587497974 XPAMGMJRSZODBB-QFIPXVFZSA-N 411.479 4.842 0 1 HJAF COc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587501013 VYGHOYPPDBQQFK-SFHVURJKSA-N 403.272 4.749 0 1 HJAF CC(=O)Oc1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587602479 YAGXXVLYBIABCV-YKSBVNFPSA-N 404.418 4.637 0 1 HJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncc1Br 587679929 GBGMSWHGYTYPRU-JDNHERCYSA-N 414.116 4.678 0 1 HJAF COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587710118 QNASJQWWTVHKOR-QGHHPUGFSA-N 418.228 4.937 0 1 HJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587785357 NNGQTCANOKRDLP-QWHCGFSZSA-N 405.679 4.922 0 1 HJAF COC(=O)c1ccc2c(c1)[C@@]1(CCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962702291 MLETXTYNUOGJLR-HOYKHHGWSA-N 411.542 4.556 0 1 HJAF COc1cccc2cc3c(nc12)[C@H](C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC3 963070285 SUTVFSPDAGNTCS-PKOBYXMFSA-N 413.562 4.760 0 1 HJAF Cc1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc(C)c1OCC(=O)NC(C)(C)C 963107102 WQFGCSGDDLZKEE-HYBUGGRVSA-N 424.560 4.846 0 1 HJAF C[C@@]1(c2ccnc(C(F)F)c2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177703 OMMPGQHYDAJOGH-SJCJKPOMSA-N 420.765 4.554 0 1 HJAF O[C@@H](CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 1772612135 OXMXFLBOVMILOO-SVBPBHIXSA-N 400.566 4.539 0 1 HJAF COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3[nH]cc4c3[C@@H]2C[C@H](C)CCC4)ccc1O 2356437217 LNMJLWPACMNBRF-MAODMQOUSA-N 421.537 4.979 0 1 HJAF CC1=C[C@H](CN2C(=O)C(C)=C(C)C2=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356527092 WDKKSTLUZNHEID-HBMCJLEFSA-N 419.569 4.974 0 1 HJAF CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1ccc(C(C)(C)C)cc1 61944769 ONMUXERVUQSNHR-HSZRJFAPSA-N 415.599 4.838 0 3 HJAF CN(CC[C@@H](Oc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)CC(=O)O 26165707 XIHVPDXIJFVKMC-QGZVFWFLSA-N 401.812 4.885 0 1 HJAF COc1cc2c(cc1OC)Sc1ncnc(N(C)c3cccc(Cl)c3)c1NC2 35848642 KQJJBBBVLYOXTC-UHFFFAOYSA-N 414.918 4.992 0 1 HJAF CCN(CC)CCNCc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12 72105381 BFPZTMAYLDXSBY-UHFFFAOYSA-N 404.533 4.808 0 1 HJAF COc1ccc(NN2C(=O)O[C@](C)(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 72106758 IPHMZAKWGRRJGE-HSZRJFAPSA-N 404.422 4.709 0 1 HJAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82141595 ALGXKSPULNDGIM-UHFFFAOYSA-N 418.516 4.935 0 1 HJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)C1 82142359 HRMDLDPDLNKBOB-ZSYWTGECSA-N 410.562 4.870 0 1 HJAF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)oc1C 82163038 VRPVTWJVSDITKA-UHFFFAOYSA-N 406.530 4.801 0 1 HJAF CO[C@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307419 DLRLNTSNPGQSJE-LJQANCHMSA-N 421.522 4.818 0 1 HJAF CCn1c(O)c2n(c1=O)[C@H](c1ccc(Cl)c(Cl)c1)c1[nH]c3ccccc3c1C2 169724424 PGZAFOBSXFAOHT-LJQANCHMSA-N 414.292 4.705 0 1 HJAF C/C=C/C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1CC(=O)OC)-c1ccccc1C4=O 586992612 QLBSVDCARJMOBY-FHPLJQIUSA-N 413.473 4.937 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2c1 587162324 VNIZIUYJKZABQJ-KBPBESRZSA-N 403.251 4.912 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239729 NWTWFCIDSRSUHP-PKQAIAMASA-N 423.916 4.910 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 587334931 GCUQDZCYEPWYNP-UKILVPOCSA-N 412.420 4.624 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N1CCCC1)O2 587377965 QWUOOYSEWYDCHO-IBGZPJMESA-N 401.304 4.646 0 1 HJAF COC(=O)[C@H](Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 587400296 MKBBOCZAECIAPX-XZOQPEGZSA-N 417.461 4.577 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc5c(c4)CCC5)o1)[C@@H](C2)C3=O 587456935 YOFWNCXXQJNJDI-NBGIEHNGSA-N 402.446 4.845 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COCC(F)(F)F)o1 587546462 JZZOIAOCQDRSLG-PXNSSMCTSA-N 420.339 4.767 0 1 HJAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 587566478 ODWNHZLHQQXRLD-UHFFFAOYSA-N 413.193 4.778 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cn2)N1 587735777 VCZHQXHERPPASN-ZSEKCTLFSA-N 415.281 4.948 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 587761551 PVNIZUQNEQVOHE-WHCBVINPSA-N 413.331 4.563 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587768099 ZYEVBXPEMXMTGV-FKIZINRSSA-N 400.295 4.706 0 1 HJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587836849 XWYWPYJFRVCWDF-YEJXKQKISA-N 420.322 4.937 0 1 HJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc(Cl)cn1 587865381 XNJJYQNXGVUQRL-UHFFFAOYSA-N 412.799 4.548 0 1 HJAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C)(C)C1 1772627200 RGRXGUWRVPJLEZ-UHFFFAOYSA-N 412.534 4.753 0 1 HJAF COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC 1857593957 RMBYJNZDODDRNO-NHCUHLMSSA-N 424.541 4.515 0 1 HJAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4)cccn23)cc1F 1911579014 FLHSFIKLKCQDPK-UHFFFAOYSA-N 403.457 4.778 0 1 HJAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC4CCN(C)CC4)C=C3C)[nH]c2c1 2356308542 AMLHSQOAJHFNAH-SXWKCWPCSA-N 424.633 4.652 0 1 HJAF CC(=O)O[C@@H]1c2c(C)coc2CC(C)=CCC[C@H](C)[C@H]2CC[C@@](C)(O2)[C@@H]1OC(C)=O 2356555174 KUTORQUTGLZWRR-LKGWUFMXSA-N 418.530 4.980 0 1 HJAF CN(Cc1cn(C)nc1-c1ccccc1F)CC1CCN(Cc2ccccc2)CC1 13636719 GRQGLKMHFUKFAF-UHFFFAOYSA-N 406.549 4.570 0 3 HJAF COc1ccc(-n2cc(CNCCc3nc(C)c[nH]3)c(-c3ccccc3Cl)n2)cc1 15962439 KSVMDKYSPVIONH-UHFFFAOYSA-N 421.932 4.565 0 3 HJAF O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ncccn12)c1ccc(F)cc1 203465977 AUGMONDKHITJDW-UHFFFAOYSA-N 400.335 4.807 0 3 HJAF c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 3834197 VOYMOBPSYVKQGF-UHFFFAOYSA-N 404.539 4.990 0 1 HJAF in-vivo CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)cc1 8598085 OKBKLULMAJMTOT-UHFFFAOYSA-N 412.603 4.784 0 1 HJAF Cc1c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 16042770 GSDIFODGDYQNDM-OAHLLOKOSA-N 423.465 4.587 0 1 HJAF biogenic COC(=O)N(COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)c1ccc(OC)cc1 28903661 MCPCKCQNFOWHJB-INIZCTEOSA-N 423.465 4.734 0 1 HJAF CC(=O)O[C@@H]1/C(C)=C/C[C@H](O)/C(C)=C/CC/C(C)=C\C=C(/C(C)C)[C@H]1OC(C)=O 29042133 BEGZWCKKXIZDII-JUJCSKJISA-N 404.547 4.816 0 1 HJAF CCN(CC)c1nc(NCc2ccc(Cl)cc2)nc(Oc2ccc(OC)cc2)n1 82066200 ZBHJKOZFAHSXQG-UHFFFAOYSA-N 413.909 4.784 0 1 HJAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 95593058 UAAJCSKHRNNLLF-UHFFFAOYSA-N 410.779 4.765 0 1 HJAF C[C@H](O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1 96168526 PWGOFEJFKNIFDS-UCLAIMLFSA-N 406.404 4.746 0 1 HJAF Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1-c1ccnc2c(N)cccc12 98067418 WRLGBBDKDMRTGG-UHFFFAOYSA-N 411.461 4.816 0 1 HJAF CC(C)C[C@@H]1NC[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)OC1=O 141827006 ITRKRMVRBCMBFT-NDUUGVRDSA-N 415.618 4.898 0 1 HJAF O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc2ccccc2c1 168301030 PPTHRJHKTGHIMP-UHFFFAOYSA-N 409.489 4.645 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 169321928 XQSKEOBPPYRPOT-DZNSWUJVSA-N 414.634 4.887 0 1 HJAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713486 NVBZLUSKXDCJBQ-VITIKHFTSA-N 402.623 4.580 0 1 HJAF O=C1C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845726 UKCKMAPJVUQTAB-NJDAHSKKSA-N 413.359 4.824 0 1 HJAF O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)c(O)c3[nH]2)cc1 586901160 QESXXRFYGOPYBX-UHFFFAOYSA-N 413.227 4.683 0 1 HJAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C(C)(C)C)c4[nH]3)CC2)cc1 586955582 RRHOSJLQJOIFFK-UHFFFAOYSA-N 411.571 4.737 0 1 HJAF Fc1cc(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005782 SJRXCHDKXIARGZ-UHFFFAOYSA-N 405.452 4.942 0 1 HJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587203957 RGUJBHKVROYXRA-UHFFFAOYSA-N 406.273 4.782 0 1 HJAF COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587229367 WCGQMVCGSODOJN-UHFFFAOYSA-N 414.378 4.974 0 1 HJAF CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N 587329762 APIWEBHRFKHOLM-ISKFKSNPSA-N 407.441 4.787 0 1 HJAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(C(=O)O)CC2)[C@H]1c1ccc(F)cc1 587354978 SDTUZASBZGNIJA-SQJMNOBHSA-N 418.420 4.651 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3cn4ccccc4n3)c1)O2 587394261 SAESPPOJTYCMES-RUZDIDTESA-N 413.477 4.685 0 1 HJAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587424121 XCMAELIMHAZXQI-NPMXOYFQSA-N 422.820 4.557 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4ccc(C)cn14)[C@@H](C2)C3=O 587426244 BQSHZJOMZULEFZ-AVRWGWEMSA-N 414.436 4.946 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)Oc1ccccc1)[C@@H](C2)C3=O 587433245 PBQLWIWZMQGRCI-UQBPGWFLSA-N 415.445 4.969 0 1 HJAF CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453582 ZIPXODNCQDHBQW-SBZFUYPRSA-N 420.505 4.792 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCCCC3)cc1)CC2=O 587478078 ZOUQGBMQQUKLBQ-DEOSSOPVSA-N 409.526 4.916 0 1 HJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1O 587497454 CIQSDURKBPGPEF-KRWDZBQOSA-N 403.272 4.749 0 1 HJAF CCOC(=O)c1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549415 ZXAPWDPFASILQO-SIKLNZKXSA-N 424.836 4.925 0 1 HJAF CN(Cc1ccccc1)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574772 YPSHGKRBLITFHI-RCZVLFRGSA-N 417.505 4.881 0 1 HJAF COc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C)c2c1 587578038 PUIKDKGHMSGCFK-QPPBQGQZSA-N 401.418 4.595 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncc1)c1ccccc1 587586190 JFTFZGUFZMUWOY-JYFHCDHNSA-N 409.441 4.887 0 1 HJAF O=C(c1ccnc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655935 IMFWNQPEBCCLRE-UHFFFAOYSA-N 413.383 4.578 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cnccn3)cc2)N1 587775250 QFDGNIWLYYOBGR-YUNKPMOVSA-N 414.278 4.794 0 1 HJAF CCOC(=O)c1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587792905 DFSXCRJBLKGEJH-ASSNKEHSSA-N 420.322 4.757 0 1 HJAF CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587800838 ZURGZZKWPSLFJB-FKIZINRSSA-N 406.295 4.563 0 1 HJAF CN1C(=O)C[C@H]2CN[C@](Cc3ccncc3)(c3ccc4ccccc4c3)c3cccc1c32 963028680 PDXRJKZTQBCHLM-RBISFHTESA-N 419.528 4.774 0 1 HJAF Cc1ccnc2c1CCN[C@]2(CCCC1OCC(C)(C)CO1)c1cc(F)cc(F)c1 963078172 XQIMFUILZODCAF-XMMPIXPASA-N 416.512 4.627 0 1 HJAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccccc3)cc2NC(=N)C1 1772617544 FOGSFFLXRWQODC-UHFFFAOYSA-N 404.514 4.764 0 1 HJAF Cn1cc(-c2cccc(N3CCC([C@@H]4c5c(F)cccc5-c5cncn54)CC3)c2)cn1 1857616824 QUDANWQDAHSKPJ-RUZDIDTESA-N 413.500 4.909 0 1 HJAF N=c1[nH]cc(-c2ccccc2)n1CCCCCCCn1c(-c2ccccc2)c[nH]c1=N 1857759283 ZLVUGOMFUNCUKS-UHFFFAOYSA-N 414.557 4.889 0 1 HJAF CCCCC[C@@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(C=O)c2C=C[C@H]1O 2356818583 DUIBJHDVPDDUKP-CTNGQTDRSA-N 410.466 4.799 0 1 HJAF O[C@](Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(C(F)(F)F)cc1 599406 WPTRTKHRBVAGNS-JOCHJYFZSA-N 409.411 4.900 0 1 HJAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)c1 775024 FDCBETYWFIDCBS-PMACEKPBSA-N 424.472 4.580 0 1 HJAF CC(C)=CCc1c(C)cc(O)c2c1[C@H](O)c1c(CC=C(C)C)c(O)cc(O)c1C2=O 14883280 HDMVLEWLWPOMNK-DEOSSOPVSA-N 408.494 4.755 0 1 HJAF biogenic N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)O 27109265 NBJQHPFIQOMXMR-IUYQLWOBSA-N 419.380 4.699 0 1 HJAF COc1ccc(-c2ccc(OCC(=O)Cn3ccc4cc(C(=O)O)ccc43)cc2)cc1 49049226 ZVDGDOXHAHGFFW-UHFFFAOYSA-N 415.445 4.663 0 1 HJAF COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccc(Br)cc2)c(OC)c1OC 72124349 DDYHBTIBNXDJJR-GOKBKIRCSA-N 420.259 4.893 0 1 HJAF COc1ccccc1Nc1nnc([C@H](O)c2cccc(OCc3ccccc3)c2)s1 82081860 OWRYRGMCGKKKKP-OAQYLSRUSA-N 419.506 4.951 0 1 HJAF COc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2C[C@@H]2CCCO2)cc1 82187708 LEASQTRKDJHQQO-FQEVSTJZSA-N 421.545 4.816 0 1 HJAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@@H]1c1cccc(F)c1 95560016 CKZQJESSIQWURR-OAQYLSRUSA-N 402.425 4.588 0 1 HJAF COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1 104074189 NOTLLZXIVXNSQR-OAQYLSRUSA-N 409.482 4.767 0 1 HJAF C=Cc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1 113389294 SMOMKQGPMBXGNI-UHFFFAOYSA-N 407.481 4.745 0 1 HJAF CC(C)(C)c1cccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167609293 QXYUSCHXLWFDBY-UHFFFAOYSA-N 415.537 4.789 0 1 HJAF CN(C(=O)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1)c1cccc2cccnc12 169722002 YYLVWUCOSSEPIV-HDICACEKSA-N 423.472 4.854 0 1 HJAF COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@@H]4[C@H](CCC[C@H]4C)[C@H]3C2=O)cc1 195478187 JQULSAYEPOTISD-JXKXRSEPSA-N 414.505 4.983 0 1 HJAF Cc1cc(C)c(-c2[nH]ncc2Cl)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 220782915 QEYYMQLDKGCVRA-UHFFFAOYSA-N 408.864 4.539 0 1 HJAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3cc(C(F)(F)F)ccc3C)C2)cc1 221045100 DCXHFDGQULURLG-OXQOHEQNSA-N 420.475 4.911 0 1 HJAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C)nc4[nH]3)c(=O)oc2c1C 586919003 WPFHTANWOKMZJF-UHFFFAOYSA-N 403.482 4.925 0 1 HJAF N=C(N)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587057735 UJZJYNKPMKWNJF-UHFFFAOYSA-N 401.253 4.993 0 1 HJAF COC(=O)c1cccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c12 587145387 VFTNHGVHAVMULG-UHFFFAOYSA-N 404.397 4.829 0 1 HJAF Cc1c(Br)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161237 LOOHWBSGZUTYHQ-UHFFFAOYSA-N 420.673 4.733 0 1 HJAF CC(C)Oc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br 587254120 GPODZRANWNWXDJ-UHFFFAOYSA-N 424.302 4.819 0 1 HJAF C[C@@]1(Cn2ccc(C(F)(F)F)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332631 SXNGYCILKWFHOL-ICSRJNTNSA-N 420.362 4.564 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccc(C(=O)O)cc4)c1)[C@@H](C2)C3=O 587448515 DGYABZXWVJQKEH-NBGIEHNGSA-N 400.430 4.723 0 1 HJAF C[C@@]1(c2ccc(C(F)(F)F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553621 FYKBWGCVRICLAF-PXNSSMCTSA-N 401.340 4.683 0 1 HJAF CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615024 VACLCAQWJRFRCP-FAHJTYSBSA-N 424.474 4.510 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccnc2)s1 587616048 YSPPKFRQENEHMD-WIYYLYMNSA-N 402.431 4.614 0 1 HJAF CCc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc(-c2ccccn2)n1 587660516 GHRDZAZGNNQNPK-UHFFFAOYSA-N 423.451 4.606 0 1 HJAF CC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587698090 HRRQJMDFKMFMKD-WLRWDXFRSA-N 410.714 4.999 0 1 HJAF Cc1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587762894 GROBBBUAKFQOHL-FKIZINRSSA-N 400.295 4.706 0 1 HJAF Cc1cc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C 587839134 QKCZSIJGHMQWGV-YUNKPMOVSA-N 416.290 4.935 0 1 HJAF CC1(C)[C@H]2CCCC[C@H]2[C@@]12N[C@H](C(=O)O)Cc1ccc(Oc3ccc(O)cc3)cc12 962929960 VMPNVAUKYJDDOC-VTKNMLBTSA-N 407.510 4.825 0 1 HJAF CCOc1cc([C@@H]2N[C@H]3CC[C@H]3c3ccc(OC)cc32)c(Br)cc1OC 962995058 MCAJFNMHNIASGG-DHUIEDIVSA-N 418.331 4.804 0 1 HJAF COc1cccc2cc([C@]3(c4ccccc4)NC[C@@H]4CC(=O)N(C)c5cccc3c54)oc12 963023726 KOXWBRPDNWUIPD-XRHLQHRESA-N 424.500 4.787 0 1 HJAF CN1C(=O)C[C@@H]2CN[C@H]([C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)c3cccc1c32 963039549 YDKNJCPQROEGNU-KUDFPVQQSA-N 415.578 4.501 0 1 HJAF CC1=C[C@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@H](C(C)C)CC1 963135230 DQHLOFWXOSWZEE-CMPZQBNXSA-N 406.548 4.597 0 1 HJAF COc1ccc(-c2cc3c(cc2[C@H]2NCCc4c(OC)ccc(Cl)c42)OCO3)cc1 963257153 IHUZKOMRSZHOTN-XMMPIXPASA-N 423.896 4.988 0 1 HJAF COc1cccc([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c1N 963832362 OSXGTXDKJCCLBD-AREMUKBSSA-N 413.521 4.747 0 1 HJAF C=CC(=O)Nc1cccc(-n2c(=O)ccc3oc4ccc(-c5cccnc5)cc4c32)c1 1857603667 FVCDPGCMEGFTQT-UHFFFAOYSA-N 407.429 4.923 0 1 HJAF CO[C@@H]1O[C@]2(OC)CC[C@H](C)[C@@H]2[C@@H]2[C@H](C(C)=CCC=C(C)C)C[C@@H](OC(C)=O)[C@H]12 2356432447 AYMKZCCQRACJSK-VGHJIGSNSA-N 406.563 4.865 0 1 HJAF CCc1nc2c(OCc3ccccc3)cccn2c1N(C)C(=O)COc1ccccc1 61904617 PSYFVMYVPBSQNR-UHFFFAOYSA-N 415.493 4.518 0 3 HJAF Cc1c(CNc2ccc3c4c(cccc24)-c2ccccc2-3)cnc2nc(N)nc(N)c12 5891500 UYPDILOOFRURAA-UHFFFAOYSA-N 404.477 4.910 0 1 HJAF Clc1nc2ccccc2n1Cc1ccc(-c2ccccc2Cc2nnn[nH]2)cc1 13652532 XWCGUHPWUWNRHO-UHFFFAOYSA-N 400.873 4.509 0 1 HJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(F)cc1 13742743 QRXQUYSQEGNIRQ-QKONGSNMSA-N 410.533 4.678 0 1 HJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@@]4(C)[C@@H]3CC[C@]12C 26385624 CJNYDPBXKCGRGK-NRYASGGISA-N 402.623 4.580 0 1 HJAF CCN(CC)C(=O)/C=C/[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26391883 PGJBQLZXSGYLAU-JBHZTKAVSA-N 414.634 4.891 0 1 HJAF CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)O1 27209760 GTJZNUCKMJCREJ-SFTDATJTSA-N 422.500 4.801 0 1 HJAF CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21 29053256 ZXFXIIYDRJKCMJ-DEOSSOPVSA-N 411.977 4.932 0 1 HJAF CCCCCN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189694 DEHQNTITQNDAJK-JVSPOQEVSA-N 402.623 4.867 0 1 HJAF CN1C(=O)[C@H](Cc2ccc(/C=C/c3ccccc3)cc2)NC(=O)c2cc(Cl)ccc21 40800901 QMHRNDVMYSNRGE-DORXLWPQSA-N 416.908 4.828 0 1 HJAF Cc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2ccccc2)n1 72182086 FMNCAAZRBDHAIG-UHFFFAOYSA-N 420.476 4.502 0 1 HJAF Cc1ccc(CNc2ncnc3c2nc(CC(C)(C)C)n3CCN2CCCCC2)cc1 82179404 KSODUGQQSDDMPV-UHFFFAOYSA-N 420.605 4.821 0 1 HJAF Cc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2C[C@@H]2CCCO2)o1 82179942 AELNYCQGNNYENR-IBGZPJMESA-N 417.513 4.618 0 1 HJAF Clc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1cccnc1O2 84615261 RGWQQGRBCBEASR-UHFFFAOYSA-N 404.901 4.737 0 1 HJAF CCOc1ccc(C(=O)Nc2ccc3c(c2)[C@H](C)N(C)CC3)cc1Br 84733043 UZOGCWQTUIIRKJ-ZDUSSCGKSA-N 403.320 4.649 0 1 HJAF O=C(Nc1nc(C(F)(F)F)cs1)c1cc(Cl)cc(Oc2cncnc2)c1 96938940 IFMDONYDLPCROE-UHFFFAOYSA-N 400.769 4.650 0 1 HJAF CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 100350675 RYMZZMVNJRMUDD-XJEYDNLMSA-N 418.574 4.586 0 1 HJAF COCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 137318510 IGRKSDPUORCBFN-IHWYPQMZSA-N 416.525 4.674 0 1 HJAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(CCC(C)(C)O)ccc3Cl)nnc12 145741363 YMOWLMZNUJCNMI-UHFFFAOYSA-N 421.932 4.882 0 1 HJAF CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@@H](c3ncccc3F)CC2)C1 148939585 UUSLYEADHCNAEP-SHTZXODSSA-N 411.912 4.842 0 1 HJAF COC1CCC2(CC1)Cc1ccc(-c3cnc(C)c(Cl)c3)cc1[C@@]21N=C(C)C(N)=N1 166362642 FSPVOBOVPOEPEV-TVNWEXPRSA-N 422.960 4.826 0 1 HJAF CC[C@H]1CCN(C)[C@@H](Nc2c(-c3nc4ccccc4[nH]3)c(=O)[nH]c3ccccc23)C1 169291273 TVMVUMUJXVSING-MGPUTAFESA-N 401.514 4.561 0 1 HJAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)CC/C=C/I)N3C)cc1 253639076 WPOWYXAYIRKXTG-JFMSOUEISA-N 423.338 4.859 0 1 HJAF O[C@H]1CC[C@H](n2cc(-c3ccc4cn(Cc5ccc6ncccc6c5)nc4c3)cn2)CC1 261114358 IOEGMAJBPLCGLZ-RQNOJGIXSA-N 423.520 4.972 0 1 HJAF CC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccnc(C)c3)cnn21 299867282 XUFKUJQJBRITKF-INIZCTEOSA-N 400.404 4.884 0 1 HJAF C[C@@H]1[C@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C 299885839 WCZILEKOMSKCAJ-IHLUGKFPSA-N 422.548 4.905 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3c2)cc1 586899047 RQRFGLURSKSWBJ-UHFFFAOYSA-N 400.434 4.927 0 1 HJAF CCOC(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959265 KFXOQIPIBCLHDF-SSEXGKCCSA-N 418.518 4.778 0 1 HJAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997499 SBQCQXGYBQEFAY-SUKGGPEHSA-N 424.500 4.745 0 1 HJAF Cc1ccc2c(ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c32)n1 587004104 QQYKEMIWKWWPJD-LBPRGKRZSA-N 422.282 4.817 0 1 HJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(I)c2[nH]1 587149902 IQHGESMSTXVMNG-QMMMGPOBSA-N 400.166 4.586 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 587156659 OTJUNLADMVDUOS-KOSHJBKYSA-N 417.440 4.622 0 1 HJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)c(O)c2[nH]1 587204495 VSVLQYMSRZRQMK-UHFFFAOYSA-N 412.328 4.612 0 1 HJAF CCCCC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351911 VRTRXERZOUJSCN-NFBKMPQASA-N 400.446 4.772 0 1 HJAF C[C@@]1(c2c(N)sc3c2CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373193 LSTOHNPNTQVELK-WMZHIEFXSA-N 409.482 4.938 0 1 HJAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]4CN(Cc5ccccc5)C[C@H]41)[C@@H](C2)C3=O 587445993 ZURVQDPAVQSNJE-RPJCSTDNSA-N 403.522 4.504 0 1 HJAF COc1cc2c(cc1Cl)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554938 YMBXTENDDHPLCK-OFNKIYASSA-N 408.837 4.858 0 1 HJAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Cl 587557812 OQBXCHKHOHILNA-NQIIRXRSSA-N 400.789 4.896 0 1 HJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Br)c1 587568975 GSWPWRSIPGRWEO-XLIONFOSSA-N 415.214 4.997 0 1 HJAF CCOC(=O)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593064 BUSOOJKUDLMZQN-IFMALSPDSA-N 418.445 4.532 0 1 HJAF Cc1cc(C)c2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587610224 PMPUAGBBKVWWNX-CPJSRVTESA-N 414.413 4.818 0 1 HJAF C[C@@H](C(=O)O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622732 SGMZRRJFZCKUOR-MRVPVSSYSA-N 402.223 4.801 0 1 HJAF O=C(COc1ccccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656712 JUPMHZKRKZTARY-UHFFFAOYSA-N 408.816 4.575 0 1 HJAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccc1 587761237 AAFKYKWWNYBEQA-YEJXKQKISA-N 414.322 4.880 0 1 HJAF CCOC(=O)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798951 QHDCNKJNWRRFNE-QKKBWIMNSA-N 420.322 4.514 0 1 HJAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587835896 RGIXNAYNYPASKM-ZBUHCNDUSA-N 406.295 4.771 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(SC(=O)N(C)C)c2)N1 587845090 MUVIMCIEWZZFGF-ADLMAVQZSA-N 423.351 4.986 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(OC)cc1 587858386 HLLHLEYRKFAQCY-UHFFFAOYSA-N 421.280 4.983 0 1 HJAF COc1ccc2c(c1OC)[C@](C)(C1C(C)(C)C1(C)C)N(C(=O)c1ccccc1N)CC2 963160080 VOCFLNOBJZKHEP-AREMUKBSSA-N 422.569 4.882 0 1 HJAF COc1cc(NC(=O)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 1857747599 KBCFQLZUIDDVCT-UHFFFAOYSA-N 412.389 4.593 0 1 HJAF C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 2356436082 AANKDJLVHZQCFG-BFTRWLTJSA-N 413.646 4.626 0 1 HJAF O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 14979711 XPTXXILZIKAQBW-IBGZPJMESA-N 405.473 4.864 0 3 HJAF N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61926139 QQLNVFCIFNEIPV-KRWDZBQOSA-N 407.474 4.851 0 3 HJAF C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@@H]1CCC2=O 2105889 XSVDHLSLBYJBSG-AEZRXPCCSA-N 418.518 4.643 0 1 HJAF biogenic CC(C)c1ccc2c(CCCNS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2cc1 13826277 UEXOITLJJSPBHI-UHFFFAOYSA-N 411.523 4.524 0 1 HJAF Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccc(Br)cc3)O2)cc1 28766786 NVZNCSUZQNSSKL-OALUTQOASA-N 419.706 4.940 0 1 HJAF CCN(CC)C(=O)C[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801224 SWADDJASDXOIKA-BKNBBBRFSA-N 402.623 4.725 0 1 HJAF Cc1nc(-c2cccc(Nc3nccc(NC[C@@H](O)c4ccccc4)n3)c2)cs1 45193933 OVYXTUYDCGLOTM-HXUWFJFHSA-N 403.511 4.798 0 1 HJAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O 66112067 WGSZYXOFBZFPTI-IEBWSBKVSA-N 414.292 4.773 0 1 HJAF CCN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 96175337 FLLFTNRDBTYQIZ-KSFYIVLOSA-N 419.550 4.574 0 1 HJAF O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1 169346486 VTWUFVAKJVRFNV-PSTGCABASA-N 402.368 4.527 0 1 HJAF CC(=O)c1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1 169349738 XRCCAWIVHSMHBA-UHFFFAOYSA-N 413.477 4.706 0 1 HJAF C[C@H]1/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)/C=C\CC(=O)N[C@H]1c1ccccc1 169356407 NRHNQHSEKZNYCZ-NOHPJANPSA-N 402.538 4.880 0 1 HJAF CC(C)N(C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 169358927 RYPMTHMHTXUIIA-ZWMHXEIYSA-N 400.607 4.545 0 1 HJAF Cc1ccc(-c2cc3c(N[C@@H](c4ccccc4)P(=O)(O)O)ncnc3s2)cc1 209321849 KOCSFSGRWBPNAY-LJQANCHMSA-N 411.423 4.955 0 1 HJAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12 299872095 ZYMWDMDUXLTZON-UHFFFAOYSA-N 421.888 4.618 0 1 HJAF COc1ccc2c(Cc3c(Cl)cncc3Cl)[nH][n+](=O)cc2c1OC1CCCC1 377438278 QISVEPRKDLYESS-UHFFFAOYSA-N 421.304 4.705 0 1 HJAF O=C(O)CCCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 473098016 FDUGYOJUAXSNHC-UHFFFAOYSA-N 412.438 4.675 0 1 HJAF Cc1c(Cl)ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586968630 BOKZTBYSEYIBJC-UHFFFAOYSA-N 400.847 4.596 0 1 HJAF Cc1cc(=O)oc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(O)ccc12 586994464 TZUKOQJAVRDMDO-UHFFFAOYSA-N 421.408 4.939 0 1 HJAF Cc1csc(SCc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)n1 587020684 XAPJXOMTDKFJAB-UHFFFAOYSA-N 418.345 4.791 0 1 HJAF O=S(=O)(c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1)C(F)(F)F 587027399 DKAHXWZRBAODBH-UHFFFAOYSA-N 409.414 4.647 0 1 HJAF CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2C1 587106225 MBHXBYLLJKKQBJ-AUUYWEPGSA-N 412.489 4.953 0 1 HJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1 587126158 WISQOEWDKZMKNN-KGFZYKRKSA-N 418.192 4.636 0 1 HJAF FC(F)(F)c1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587183866 KFVJUTVQFGLTJF-SNAWJCMRSA-N 415.156 4.752 0 1 HJAF Cc1c(F)ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 587239977 PMVDQQCGBBZPFU-OIAISFKWSA-N 403.498 4.565 0 1 HJAF O=C1c2ccc(O)cc2O[C@@]2(CCCN(Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587347915 VTWJXXJVGXVMBC-AOYPEHQESA-N 417.480 4.925 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCN4CCC[C@H](C)C4)cc1)[C@@H](C2)C3=O 587437926 MBQJJNNNPVRJLI-CGSPVCNISA-N 421.537 4.685 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1I)CC2=O 587472448 QQNCSUHANRECOR-LJQANCHMSA-N 422.262 4.830 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1CCCOC)CC2=O 587482399 NVKJVHFMLNFLOB-NRFANRHFSA-N 414.498 4.647 0 1 HJAF O=C(C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1cccnc1 587511557 LQAKMJSFDXIKJD-SANMLTNESA-N 412.489 4.850 0 1 HJAF Cc1ccc([C@]2(C(C)(C)N3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587518355 GMYUGPOZJJDJCG-MHZLTWQESA-N 419.565 4.845 0 1 HJAF O=C(O)c1ccc([C@@]2(c3cccc(O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531442 GMBRNYNWCPJHPJ-AREMUKBSSA-N 414.457 4.878 0 1 HJAF CC(=O)Nc1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580938 TXXJYAYYLKUETM-DHLKQENFSA-N 415.445 4.544 0 1 HJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C 587584007 YCUZPKZWYFXWMN-OFVILXPXSA-N 412.445 4.804 0 1 HJAF C[C@H](Oc1ccccc1F)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655323 BQMGMYAYSRSIHN-ZDUSSCGKSA-N 424.378 4.589 0 1 HJAF Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)no1 587754400 YJVCUFZSMLLSKT-FVINQWEUSA-N 418.310 4.916 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCN(Cc3ccccc3)C2)N1 587758173 BTRAFZKDSRCSHU-LDJQZATESA-N 417.366 4.860 0 1 HJAF CN(c1ccc(-c2csc(-c3cccc(-n4cccc4)c3)n2)cc1)S(C)(=O)=O 587923989 WSDLQKJUMHFLGA-UHFFFAOYSA-N 409.536 4.664 0 1 HJAF Cc1cc(OC(C)(C)C)n(-c2cc(Br)cnc2Br)c1O 587941055 RDDGPZKFCCRSOS-UHFFFAOYSA-N 404.102 4.589 0 1 HJAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cccc(Br)c1N 962395350 COHGBPRDVOXQNT-IBGZPJMESA-N 402.361 4.579 0 1 HJAF C[C@]1(Cc2nc(-c3ccccc3)no2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713203 QOSIXJGJEJVRHW-HXOBKFHXSA-N 409.530 4.697 0 1 HJAF COc1ccc([C@@]2(c3ccccn3)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962723042 YCNQJSXTDGZJMS-CLOONOSVSA-N 420.553 4.885 0 1 HJAF CCOc1cc([C@@H]2N[C@H]3CC[C@@H]3c3ccc(OC)cc32)c(Br)cc1OC 962995064 MCAJFNMHNIASGG-YMTYPPQLSA-N 418.331 4.804 0 1 HJAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(Br)c(Cl)n1 963289675 QHWUBNVYADBJPX-AWEZNQCLSA-N 416.544 4.837 0 1 HJAF O=C1c2ccccc2[C@]2(NCCc3ccc(O)cc32)[C@@H]1c1ccc(Br)cc1 963352955 NURKEPRHVBUXKI-FYYLOGMGSA-N 420.306 4.524 0 1 HJAF C[C@H]1c2cccnc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772645216 FZSRPXVMKCEYMK-UXHICEINSA-N 400.526 4.763 0 1 HJAF COc1ccc(CC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1OC 1857553655 YWNJFQWCTDBUJT-UHFFFAOYSA-N 406.413 4.832 0 1 HJAF CO[C@]12C[C@](C)(O)[C@@H]3C[C@]4(C)CC[C@H]([C@H](C)C=CC=C(C)C)[C@@H]4CC=C(C(=O)N1)[C@@H]32 2356431561 VQIAIGUFXCMWQU-GKTLPWGQSA-N 413.602 4.757 0 1 HJAF CC(=O)OCC=C(COC(C)=O)[C@@H]1C[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356726996 CUPZCQDOYGIYBQ-SKWRHMBASA-N 406.563 4.829 0 1 HJAF CC(C)n1cc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 15080238 IZDYXGATSZPJLH-FQEVSTJZSA-N 419.529 4.502 0 3 HJAF O=C(N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 199411002 BALSDMMPZMCWIB-SFHVURJKSA-N 424.850 4.670 0 3 HJAF C[C@H]1[C@@H](OC(=O)NCc2ccccc2Cl)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711541 UFYZYQLUNQBLRR-TXDFXGTJSA-N 404.938 4.526 0 3 HJAF O=C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 28822086 IRHTWLKWBXJAQQ-UHFFFAOYSA-N 408.723 4.846 0 1 HJAF CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12 35242510 CVBPCHAWPDLWBY-UHFFFAOYSA-N 416.502 4.917 0 1 HJAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NCC)c(C)c2)n1)c1cccnc1 38359180 SPQPCSMOQQXHMU-FQEVSTJZSA-N 404.518 4.942 0 1 HJAF CCN1[C@@H](C)CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@H]1C 58651164 HNYZKOASTAMYNF-SVMVAKDDSA-N 409.574 4.710 0 1 HJAF N[C@@H](COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12 73311145 GWJHMRBQEUHFOC-GOSISDBHSA-N 400.507 4.788 0 1 HJAF COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1Cc1ccccc1F)[C@@H](CO)N2 95667832 FAPVSPMPFWAOFQ-OLLUBJOZSA-N 418.512 4.851 0 1 HJAF CC(C)Oc1cc(CC(=O)c2ccc(Cl)cn2)cc([C@]2(C)CCSC(N)=N2)c1 96174369 GBDZSUMCULMHBH-NRFANRHFSA-N 417.962 4.614 0 1 HJAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3ccc(Cl)cc3)n2)cc1 96939919 KTXWMSXHBREFRW-UHFFFAOYSA-N 400.887 4.676 0 1 HJAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2 100753724 JAKRKKAOZPPTDH-AVRDEDQJSA-N 419.569 4.719 0 1 HJAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2ccccc2O1 143407118 OFBQXYQNZSPOBA-LJQANCHMSA-N 408.502 4.868 0 1 HJAF COc1cc(Nc2cncc(Oc3cccc([C@@H](C)N=O)c3)n2)cc(OC)c1OC 169686080 ICRWWBDZEAPJSF-CYBMUJFWSA-N 410.430 4.866 0 1 HJAF CCC[C@H]1Cc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc2O1)CC(C)(C)CC3=O 221484087 TXWPKOAVOIYSHT-ZDUSSCGKSA-N 414.933 4.797 0 1 HJAF in-vitro NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cncc(-c3ccccc3)c2)CC1 299871201 YBGBRIXNKBFHTK-KJOQGJGQSA-N 413.565 4.914 0 1 HJAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 586939525 VOVMLXCXRDJOTD-HNNXBMFYSA-N 416.305 4.684 0 1 HJAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586962995 WDGNATQKHIQBEV-SNVBAGLBSA-N 420.523 4.771 0 1 HJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586974904 XRENVUPVWTYELF-QGZVFWFLSA-N 411.424 4.831 0 1 HJAF COC(=O)c1cc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2cc1OC 587159016 VFXJLPWEOMDGPG-UHFFFAOYSA-N 404.397 4.644 0 1 HJAF Oc1ccc(Nc2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1 587242480 MKNQXUVXAYRMGG-UHFFFAOYSA-N 424.464 4.738 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)c(C(=O)O)c1)O2 587399432 KSZIUCZXMSXWNH-QFIPXVFZSA-N 403.434 4.561 0 1 HJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CC(C)(OC)OC)c1F)CC2=O 587466277 KMXWRKSHWFLUES-HSZRJFAPSA-N 416.489 4.916 0 1 HJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(C)cn3)c1)CC2=O 587475701 NYTPPGNIHPDQDM-HSZRJFAPSA-N 406.482 4.613 0 1 HJAF CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587479313 HOFMXNMGCODFLA-XMMPIXPASA-N 412.482 4.859 0 1 HJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(C(=O)O)o3)c1)CC2=O 587486297 XHPQCFRROQGYLU-QFIPXVFZSA-N 422.433 4.921 0 1 HJAF Cc1oc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587538717 FYHKNPRJYFJJSS-LPHOPBHVSA-N 401.212 4.759 0 1 HJAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)cccc21 587554246 WMUOHPBEWOWTAR-XMSQKQJNSA-N 406.825 4.635 0 1 HJAF CC(C)[C@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587509 OFTUKVCINZXRNA-HYBUGGRVSA-N 417.417 4.752 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(F)cc2)N1 587733303 LGGAOKXUVDGALG-ASSNKEHSSA-N 415.281 4.948 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)n2)N1 587738239 LRQSNMKRBSJDEM-WJWGPLDTSA-N 418.079 4.508 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)cc(O)n3C)N1 587754427 DLGHTLCWWSXFTR-PRWKNARSSA-N 403.295 4.583 0 1 HJAF CCOC(=O)C[C@]1(CCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795248 IFEQDCGHXINGHG-DJJJIMSYSA-N 400.332 4.707 0 1 HJAF COc1ccc(-c2ccncc2)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962617933 CLOIGRAPEZEBNR-UPCLLVRISA-N 404.510 4.740 0 1 HJAF CCCCCCn1c(CS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2ccccc21 1857750294 NSZADFDELDVWFT-UHFFFAOYSA-N 413.543 4.549 0 1 HJAF CN(Cc1cccc2ccccc12)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 1857753773 VIXMPTFZKKQNPS-UHFFFAOYSA-N 416.452 4.963 0 1 HJAF C[C@H]1Cc2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O[C@@H]1c1ccc(O)cc1 2356620835 GGPZVBXSSCKWFL-OWJWWREXSA-N 404.462 4.931 0 1 HJAF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccccc2)cc1 767248 JZPZAPJEYMDMLG-ILBGXUMGSA-N 414.505 4.536 0 1 HJAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)cc1F 4153254 MYDDPBVCDZJNDY-TZIWHRDSSA-N 418.896 4.886 0 1 HJAF O=C1CN2C(c3ccc(Cl)cc3)=NO[C@]2(c2ccccc2)c2cc(Cl)ccc2N1 8387071 FUXUHNHQROIECH-JOCHJYFZSA-N 424.287 4.841 0 1 HJAF biogenic CC(C)=CCc1cc([C@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@H]2O)ccc1O 13485403 LAQLCZKPJGMFRM-DNQXCXABSA-N 408.494 4.793 0 1 HJAF endogenous,in-man Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1 13684248 BOXUVZUCCJGJJB-UHFFFAOYSA-N 423.492 4.624 0 1 HJAF COc1cccc([C@@H](c2ccc(OCCN3CCOCC3)cc2)c2cccs2)c1 29130768 ORQKFLSKZYBUNE-XMMPIXPASA-N 409.551 4.648 0 1 HJAF Cc1cc(/C=C/c2ccccc2OC[C@@H](O)CN[C@@H](C)CCc2ccccc2)on1 29231458 MJXYGUDQUMSFBE-HAWAFHPZSA-N 406.526 4.504 0 1 HJAF CCc1nc2c(=O)n([C@@H](C)c3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 64436547 IXWIEUSCMKPOBF-KRWDZBQOSA-N 409.493 4.586 0 1 HJAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccc(F)cc2)=N1 95579017 PDAGKAXYOMNUPD-INIZCTEOSA-N 408.285 4.913 0 1 HJAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c3c2)cn1 96282986 WIWKHKMJZYIJLG-UHFFFAOYSA-N 422.414 4.894 0 1 HJAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586886264 OSUBYGTWFRJYLM-QVKFZJNVSA-N 411.299 4.874 0 1 HJAF Cc1ccc2c3c(cc(Cn4cc(Br)cn4)nc13)-c1ccccc1C2=O 586993781 OSZPFXSAIFYEAN-UHFFFAOYSA-N 404.267 4.762 0 1 HJAF Fc1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006036 ANEYVMMFINXOQS-UHFFFAOYSA-N 410.044 4.542 0 1 HJAF FC(F)(F)C(F)(F)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1 587016699 BRHMOPBFHYKVMR-UHFFFAOYSA-N 400.332 4.919 0 1 HJAF Ic1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028289 PIVMDMBQMAUEIQ-UHFFFAOYSA-N 403.248 4.958 0 1 HJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587034427 ITZALKLCTWTYJL-GFCCVEGCSA-N 405.483 4.631 0 1 HJAF Cc1ccc(-c2csc3ncnc(SCc4nc5ccnc(N)c5[nH]4)c23)cc1 587037529 FWRCWXSOVXIEOP-UHFFFAOYSA-N 404.524 4.813 0 1 HJAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)cnc3[nH]2)c1 587049178 PTZCXVDJMSQSGB-UHFFFAOYSA-N 420.300 4.575 0 1 HJAF Cc1ccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(Cl)c2)cc1F 587146990 DWEHNTLGPXYMMN-UHFFFAOYSA-N 404.836 4.974 0 1 HJAF Fc1ccc(-n2nnc(-c3nc4cc(Br)cc(F)c4[nH]3)c2C2CC2)cc1 587169234 YTBBXLZHMSLTPA-UHFFFAOYSA-N 416.229 4.729 0 1 HJAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4ncccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240327 SSRXTZMHECWGJI-KFSOKAEPSA-N 422.529 4.666 0 1 HJAF Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 587342579 OJMFVKCDPOAXNV-QPPBQGQZSA-N 402.425 4.692 0 1 HJAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587418511 INYDZKWRGJVAJB-UCMHMESESA-N 404.293 4.720 0 1 HJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cc(C(=O)O)ccc4F)c1)[C@@H](C2)C3=O 587424622 QFIHFUANZXZEMD-UQBPGWFLSA-N 418.420 4.862 0 1 HJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1I)CC2=O 587472447 QQNCSUHANRECOR-IBGZPJMESA-N 422.262 4.830 0 1 HJAF Cn1ccnc1COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512860 PASXXFBQTQMEDF-RUZDIDTESA-N 402.494 4.759 0 1 HJAF O=C1C[C@@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587517846 WFTPVQXWCXKSBK-CVDCTZTESA-N 405.494 4.558 0 1 HJAF Cc1nccn1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576690 KETRWXJYLPFYRU-RDGATRHJSA-N 412.445 4.763 0 1 HJAF COc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587709420 MJMBFCPOBFYGPR-DYZYQPBXSA-N 418.228 4.937 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCCC2)N1 587717635 GJXWVBXEPHABJR-ODXCJYRJSA-N 407.302 4.951 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(OC(F)(F)F)c2)N1 587721338 PFUIKLSSFBPWEF-PWJLMRLQSA-N 420.200 4.816 0 1 HJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2CCCCCC2)N1 587749154 NGEMFBRYMKBDGW-RNODOKPDSA-N 411.359 4.567 0 1 HJAF Cc1c(C=O)c2ccccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587769068 MQXSQTUCGFPRNG-JEOXALJRSA-N 401.279 4.585 0 1 HJAF Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587832599 ZKUVBAOXWYYVKV-ZUOKHONESA-N 406.295 4.539 0 1 HJAF CC(=O)OCc1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587846502 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Clc1ccc(-c2nnc(Cn3c(CN4CCCCC4)nc4ccccc43)o2)cc1 1911576341 OLWYHNZRDBSKTH-UHFFFAOYSA-N 407.905 4.774 0 1 HJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@]6(CCC[C@H]6CCO)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356352096 MLJOFDODJGSSER-XDQUBNTCSA-N 416.602 4.600 0 1 HJAF C[C@@]12CC[C@@]3(C1)[C@H](CC2=O)C[C@H](OC(=O)c1ccccc1)[C@@H]1[C@@H](CO)CCC[C@]13C 2356780873 GWDZFSLRNFJCLZ-BYCYOMRWSA-N 410.554 4.796 0 1 HJAF O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1 1659501 WVCZBVOCPXGWIU-NRFANRHFSA-N 413.882 4.593 0 1 HJAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295428 DCUPCNFOXFBODB-QPTUXGOLSA-N 424.541 4.559 0 1 HJAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(F)c1 26965272 POHRSBLYZIRFBO-GSVKBTKASA-N 410.533 4.678 0 1 HJAF C[C@H](C1CCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823221 OCVSOISGGAYYKC-CYBMUJFWSA-N 414.354 4.870 0 1 HJAF Nc1scc(-c2ccc(I)cc2)c1C(=O)c1ccccc1 43017879 AGSZPYPSKILONT-UHFFFAOYSA-N 405.260 4.833 0 1 HJAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)o1 103291363 YKVXOZSREVKCGA-UHFFFAOYSA-N 416.308 4.919 0 1 HJAF O=C1CCC[C@@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 169331506 IYRRWQZJVHAWNG-FLABLRJTSA-N 408.501 4.702 0 1 HJAF COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2c2ccc(C(=O)O)cc2)cc1 203857316 YRGMYWWQQSAYPS-HSZRJFAPSA-N 402.450 4.758 0 1 HJAF Cc1cc2c(cc1-c1cnc(NCc3c(F)cc(F)cc3F)cn1)OC(F)(F)O2 207720921 DBZZSOMQAHKBJT-UHFFFAOYSA-N 409.314 4.803 0 1 HJAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H]1O[C@@H]2[C@H](C)[C@@H]1C 238762731 WNZPXAXGHBMGPR-XJSVZPCESA-N 416.470 4.500 0 1 HJAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299880292 MAPXQIJRDUNXME-JMJGKCIBSA-N 416.562 4.519 0 1 HJAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(Cl)c2[nH]1 586938501 WDNRYBASRQBQGG-MRXNPFEDSA-N 423.991 4.606 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3nccc(C(F)(F)F)n3)c1C)O2 587381157 CIZZCJYOBZJGCB-KRWDZBQOSA-N 416.403 4.500 0 1 HJAF 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0 1 HJAF COC1=CC(c2ccc3c(c2)OCO3)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857535408 SGZJYEYHKJSDGN-UHFFFAOYSA-N 400.478 4.944 0 1 HJAF CC1=C[C@H](CN2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356379900 LGKRCSMESNCLNG-QKNQBKEWSA-N 413.537 4.605 0 1 HJAF CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 36385200 QMBJSIBWORFWQT-NJZGOQBBSA-N 404.934 4.752 0 1 HJAF CCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1 43152398 PKIADIKSNMXZIA-UHFFFAOYSA-N 408.517 4.651 0 1 HJAF CC1(C)C[C@@]2(OC(=O)N(Cc3ccccc3)C2=N)c2cc(Br)ccc2O1 45288337 WMJSDTSZQJBGQG-HXUWFJFHSA-N 415.287 4.835 0 1 HJAF CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)n[nH]1 49049887 IDABFBUJFMQBID-UHFFFAOYSA-N 409.902 4.665 0 1 HJAF Cc1ccccc1CSc1nc(Cc2ccccc2)c(Br)c(=O)[nH]1 49113171 PYFBWAMMSXWENW-UHFFFAOYSA-N 401.329 4.724 0 1 HJAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(F)c(F)c3)cc2c1 66262220 ABFSUVJAXIRIDG-UHFFFAOYSA-N 408.404 4.550 0 1 HJAF CC[C@@H](C)Cn1c(-c2cccc(O)c2)nc2c(NCc3cccc(F)c3)ncnc21 82181476 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(C(F)(F)F)N1 587706439 QAICKVPPTIOCIM-QLJPJBMISA-N 403.217 4.518 0 1 HJAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794008 FZTTVKPUBBCIAK-SPKLELGKSA-N 400.332 4.563 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3cc(C(=O)O)ccc23)N1 587807589 XMRXYPDIPTYZQZ-WVDJIFEKSA-N 417.278 4.565 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC[C@H]2CCCO2)N1 587833438 NDBBVSAZBUXNSH-MFLXSWDHSA-N 420.322 4.770 0 1 HJAF COC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962665057 JVOKHNYNTBGCAB-HSZRJFAPSA-N 400.453 4.996 0 1 HJAF N=C(N)NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccc1 1857620378 MNRUGEWQKLTAPC-FQEVSTJZSA-N 406.873 4.751 0 1 HJAF CN1C[C@H](c2c[nH]c3cc(Br)ccc23)NC[C@H]1c1c[nH]c2ccccc12 2356792117 JIQDATGCBHDHPV-RTWAWAEBSA-N 409.331 4.729 0 1 HJAF C[C@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1cccc(Cl)c1 772430 HGIJBLHDIXYMEL-IBGZPJMESA-N 411.716 4.746 0 1 HJAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 4048926 ODSYCIAFDKOWMO-ILBGXUMGSA-N 419.569 4.504 0 1 HJAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C(=O)Sc3ccccn3)CC[C@@H]12 26396874 FOOJBYZHQBYLFU-FFJXAJGVSA-N 410.583 4.614 0 1 HJAF N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)O 27104819 AFZVODUIDLEBBC-XMCSSRMMSA-N 420.273 4.987 0 1 HJAF O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CCF 28568764 HFGPOIZXGKDVPR-UHFFFAOYSA-N 403.244 4.526 0 1 HJAF Cn1c(Nc2ccc(CCNc3ncnc4ccsc34)cc2)nc2ccccc21 49019039 KEOVIOTXXBEWRT-UHFFFAOYSA-N 400.511 4.976 0 1 HJAF COc1cc(Nc2nccc(Nc3ccc4c(c3)NCC4(C)C)n2)cc(OC)c1OC 71316012 OKDOKFJQBSOBBG-UHFFFAOYSA-N 421.501 4.693 0 1 HJAF CCOc1ccc2oc(C(=O)N[C@H](CSC)c3nc4ccccc4[nH]3)c(C)c2c1 71331027 HPIAEZYZZHLOTA-GOSISDBHSA-N 409.511 4.850 0 1 HJAF CCC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O 95561944 UVPAFACFFSFLHN-KRWDZBQOSA-N 415.342 4.567 0 1 HJAF C[C@@H]1CN(c2ccc(NC(=O)c3cccs3)cc2)CCN1Cc1cccc(F)c1 96901674 MDFDAQSTSPAJAI-QGZVFWFLSA-N 409.530 4.850 0 1 HJAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc2cc[nH]c2c1 96922456 IYPSSJCRWHANLL-AVRDEDQJSA-N 402.542 4.792 0 1 HJAF CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@@H]3CC[C@H](C2)N3C#N)cc1 100760598 KZLPCMNZZDEWIQ-BKFWDETESA-N 402.542 4.783 0 1 HJAF COC12CC3C[C@@H](C1)C(Cc1nnn[nH]1)(c1ccc(-c4ccccc4)cc1)[C@H](C3)C2 103232196 XKMLIUUJBQQYML-PPTLYVDCSA-N 400.526 4.572 0 1 HJAF COc1ccc2nc(C)oc2c1[C@H]1CCCC(=O)N1Cc1ccc2ccccc2n1 167485083 ZKDBZAPJINOVIE-HXUWFJFHSA-N 401.466 4.947 0 1 HJAF COc1cc2ncc3c(c(-c4ccc(-c5ccn[nH]5)cc4)nn3C)c2cc1-c1cn[nH]c1 169685062 KTBPTBFBYJBZMX-UHFFFAOYSA-N 421.464 4.577 0 1 HJAF Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O 196208494 VSMAWNXCMCNNPR-ZDUSSCGKSA-N 410.823 4.967 0 1 HJAF Cc1nc(N[C@H](C)c2cccc(OC[C@H](C)O)c2)cc(-c2ccc3ncsc3c2)n1 205833908 KZOODEXQLVTCCJ-LSDHHAIUSA-N 420.538 4.994 0 1 HJAF FC1(F)Oc2cc3nc(COc4ccc(Cl)cc4Br)[nH]c3cc2O1 586977993 VHDKGVIOKSHFMJ-UHFFFAOYSA-N 417.593 4.879 0 1 HJAF Cc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 587092271 UGYUFMXIJRQIDB-UHFFFAOYSA-N 413.440 4.676 0 1 HJAF C[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1nc(C(F)F)c(Cl)c1C(F)F 587129341 IGDKBCKMMLBDCB-ZCFIWIBFSA-N 404.751 4.669 0 1 HJAF COC(=O)c1cc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1OC 587148952 FFAHYUKTNIKKLD-NRFANRHFSA-N 424.403 4.805 0 1 HJAF COc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Cl 587202936 ISDLRTOQSWIVRS-UHFFFAOYSA-N 400.866 4.742 0 1 HJAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349250 UBPSEUXAHAHJPP-KBOJRLNKSA-N 417.436 4.648 0 1 HJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4F)c(OC)c1)[C@@H](C2)C3=O 587425250 AROVXJKWHJWFDA-BVZFJXPGSA-N 420.436 4.911 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(OC(C)(C)C(=O)O)ccc31)CC2=O 587482908 KNSHBNDSSUGOTB-VWLOTQADSA-N 424.493 4.784 0 1 HJAF C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554966 YXAIXAGUXUNCSL-XMSQKQJNSA-N 406.825 4.799 0 1 HJAF C[C@@H](c1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583213 QZNXUGXTWOJCCM-MBSDFSHPSA-N 415.489 4.950 0 1 HJAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)C 587597129 SKDWXMGUZBVVPT-RDPSFJRHSA-N 406.434 4.891 0 1 HJAF CC(C)=C1NCCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587598947 ZCYQBEMJIJBLEB-NVQXNPDNSA-N 413.473 4.992 0 1 HJAF O=C(O)c1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605556 BAWITJYKXYQSHA-OFVILXPXSA-N 416.429 4.674 0 1 HJAF Cc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658549 OOCRKGLYQSLHAA-INIZCTEOSA-N 402.425 4.619 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)c(O)c2)N1 587714056 FTZUCZZJHRVSCS-ZKANADHPSA-N 402.210 4.519 0 1 HJAF Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587740822 FQNBPSLURWNNCF-LHSJRXKWSA-N 419.338 4.983 0 1 HJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)no2)N1 587794536 MZRSEZQAGCBCPQ-MPBGBICISA-N 417.278 4.779 0 1 HJAF COc1cc2c(c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c1)O[C@@H](C)C2 587833235 MMWRSTFROAYDMJ-ADWYPQAOSA-N 406.295 4.544 0 1 HJAF CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 587836379 TZVWRIMCKGWYFB-ODXCJYRJSA-N 406.295 4.547 0 1 HJAF O=C(O)c1cc(O)cc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)c1 587926115 LFHHOGSWQWQAKU-UHFFFAOYSA-N 401.418 4.833 0 1 HJAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccccc2)[nH]n1 621476121 OMUSGNUJXYKSAH-UHFFFAOYSA-N 412.280 4.881 0 1 HJAF Cc1ccc(NC(=O)C[C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1C 961613171 GSFCIDVKDDUMPX-NRFANRHFSA-N 413.359 4.988 0 1 HJAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(OC(F)(F)F)c2)N1)C(F)(F)F 962731251 QRWSEROEYVXOCE-UKRRQHHQSA-N 423.740 4.974 0 1 HJAF COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NCCc3c(C)ccnc32)c1 963075129 ZUXKTDKTIHXYME-SANMLTNESA-N 410.521 4.546 0 1 HJAF O=C(O)c1ccoc1COc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963102173 KITRGXXLFVWKHG-WZONZLPQSA-N 407.441 4.806 0 1 HJAF C[C@H]1CN(Cc2ccccc2)c2cnccc2[C@@H](C)N1C(=O)NCc1ccccc1 1772632494 QGMUDAKKGSLGLA-VQTJNVASSA-N 400.526 4.763 0 1 HJAF Clc1cc(-c2ccnc(N3CCNCC3)c2)cc(Cl)c1OCc1cncs1 1772657333 JWFZNAAZPRXSGP-UHFFFAOYSA-N 421.353 4.501 0 1 HJAF O=C(/C=C/c1ccncc1)Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 1911574020 HMVOIUHDHREVQO-LZCJLJQNSA-N 415.346 4.542 0 1 HJAF C[C@H]1C[C@@H](C)CN2C[C@@H]3[C@@H](CC[C@@H]4[C@@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)C[C@@H]12 2356524294 YIYKJKFLANHXRV-KEUPXKECSA-N 415.662 4.563 0 1 HJAF CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(Cl)c3Cl)N2C1=S 2496351 NUDSXAJKYUQEBU-CRAIPNDOSA-N 416.333 4.548 0 1 HJAF Cc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1 3658339 WLLPEYQVUHQFTQ-UHFFFAOYSA-N 420.534 4.674 0 1 HJAF CC(C)=CCc1c(O)c(C(=O)C[C@H](C)CO)c(O)c2c(-c3ccccc3)cc(=O)oc12 13328075 WJEIZADSLGSKHN-HNNXBMFYSA-N 422.477 4.581 0 1 HJAF biogenic CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)O[C@@](C)(CO)C=C5)ccc2O1 14825207 FECHDMKKULRSDG-RUZDIDTESA-N 418.445 4.506 0 1 HJAF biogenic Clc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28768728 PKVCETMNSYTMNH-MOPGFXCFSA-N 419.706 4.940 0 1 HJAF CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c2C1 29055089 IADSDBJTSWKJGC-HNNXBMFYSA-N 412.921 4.976 0 1 HJAF COc1cc2c(cc1OC)Oc1ncnc(Nc3cc(Cl)ccc3F)c1NC2 38149526 WCMSKFSDZXTGKD-UHFFFAOYSA-N 402.813 4.748 0 1 HJAF CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc5ccccc5c4)cc23)CC1 45192886 AKYALBGUDLJACG-UHFFFAOYSA-N 411.509 4.784 0 1 HJAF Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 63539929 CJUJLGFTKBBDMG-UHFFFAOYSA-N 406.339 4.547 0 1 HJAF COc1ccc(-c2ccc(Cn3c4c(c5ccccc53)C(=O)CCNC4=O)cc2)cc1 72175286 IFXSGNXICHOBJG-UHFFFAOYSA-N 410.473 4.681 0 1 HJAF O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95893313 BJDZFTPRLIYMBG-SMIHKQSGSA-N 424.972 4.596 0 1 HJAF Cc1cc(C(=O)Cc2cc(Br)cc([C@@]3(C)CCSC(N)=N3)c2)c(C)o1 96174304 IUWRTAZOSAXQOS-LJQANCHMSA-N 421.360 4.751 0 1 HJAF Cc1cc(N)c2cc(Nc3ccnc(Nc4ccc5nc(C)cc(N)c5c4)n3)ccc2n1 98084097 FOQCMEHDADMERU-UHFFFAOYSA-N 422.496 4.841 0 1 HJAF COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1 103873050 ZDPAIIWPPXXHSX-JOCHJYFZSA-N 403.482 4.846 0 1 HJAF O=C(O)CCCCOc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144829430 NGDUTYCUMBDTPN-SFHVURJKSA-N 400.780 4.752 0 1 HJAF Oc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)n1 169726269 BNORPTGPKVWAPY-INIZCTEOSA-N 400.301 4.967 0 1 HJAF COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)cc1 586903444 OZBVSQWXNSWGJY-UGKGYDQZSA-N 400.434 4.711 0 1 HJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 586916418 MCAOWUZDJJVGNR-BUXKBTBVSA-N 403.251 4.681 0 1 HJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 586916422 MCAOWUZDJJVGNR-HXPMCKFVSA-N 403.251 4.681 0 1 HJAF CCOc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)cc(Br)c1OC 586978461 SZCWYADJRSNOCQ-DAXSKMNVSA-N 417.259 4.601 0 1 HJAF Cc1c(Br)cnc2[nH]c(-c3ccnc(Cl)c3Br)nc12 586979565 POMTYHFRQGDIIL-UHFFFAOYSA-N 402.477 4.507 0 1 HJAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026684 MCHLOMLPHMHJOI-AGRHKRQWSA-N 401.482 4.978 0 1 HJAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587038441 HYFIRVHIRKXYHJ-UHFFFAOYSA-N 403.361 4.586 0 1 HJAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(F)c(Br)c2[nH]1 587064599 DBOVPXOLYPJDKC-UHFFFAOYSA-N 413.630 4.518 0 1 HJAF Clc1cccc(-c2cc(-c3nc4cc(I)ccc4[nH]3)n[nH]2)c1 587068610 WAKBORHNJNAIQR-UHFFFAOYSA-N 420.641 4.878 0 1 HJAF Nc1ccc(F)c(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587141646 YNBAWBRCVYUQAU-UHFFFAOYSA-N 404.161 4.536 0 1 HJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(F)c1 587144680 NADMUUHWFIXIHX-HXUWFJFHSA-N 404.401 4.766 0 1 HJAF CCCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br 587157290 SESHXKHQOCHLCB-HXPMCKFVSA-N 404.283 4.595 0 1 HJAF CCCOc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br 587245586 ZVRJAHNTMBNYGQ-HJWRWDBZSA-N 400.276 4.766 0 1 HJAF C[C@@]1(c2ncc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334332 MAYMEAAJSOTMPZ-WIYYLYMNSA-N 401.796 4.993 0 1 HJAF Cn1cc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2n1 587343459 TXGOSSZCJSSLQK-QPPBQGQZSA-N 402.425 4.692 0 1 HJAF O=C1c2ccc(O)cc2O[C@](c2cnoc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 587351205 ZFGHUYOXOWWZCH-LADGPHEKSA-N 417.392 4.528 0 1 HJAF COc1cc2c3c(c1)O[C@@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](C2)C3=O 587428842 LOXIUNHLFONCIC-CAASOKRLSA-N 413.517 4.902 0 1 HJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1cc(C(=O)OC)ccn1)CC2=O 587485800 KQGNQNFZVQNKJC-UUOWRZLLSA-N 409.482 4.588 0 1 HJAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(F)(F)C1 587507450 QBCSVUWOQRXUPU-NRFANRHFSA-N 407.457 4.546 0 1 HJAF Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 587541817 VSLYUKBNKHFOMQ-JXFKEZNVSA-N 412.239 4.561 0 1 HJAF C[C@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547139 ZHNIPSWPTQEXCP-QFBILLFUSA-N 401.212 4.625 0 1 HJAF Cc1nc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549419 WVHHEEBVZATFCK-PXNSSMCTSA-N 412.239 4.561 0 1 HJAF COc1ccccc1-c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)on1 587586934 LVAWXXFSKZVNDE-ZJSXRUAMSA-N 415.401 4.759 0 1 HJAF CCc1nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587588643 UHUJNAYDSPYBBL-HYBUGGRVSA-N 401.418 4.973 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)F)N1 587707341 UFUQDOCKPZQHAK-FVMDXXJSSA-N 410.249 4.885 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCCCC2)N1 587766222 MQZHEIWKFVHLAR-DJJJIMSYSA-N 404.327 4.597 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)nc2)N1 587766926 OYHVUZYRVRNJLO-ZUOKHONESA-N 404.327 4.597 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)N1 587771514 TYKXTWDKMUOZQQ-QOSXVOFASA-N 407.371 4.887 0 1 HJAF Cc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774659 NJHYWDQIDAIMOU-XCLFUZPHSA-N 412.306 4.977 0 1 HJAF CCOC(=O)Cc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782256 KUMQMVJQLGKWEQ-UHFFFAOYSA-N 402.450 4.620 0 1 HJAF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1OC 587803920 YHPXCSQIRRXXAC-ODXCJYRJSA-N 408.311 4.928 0 1 HJAF COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587805886 IBYBTMFBWXAAHO-FKIZINRSSA-N 408.311 4.598 0 1 HJAF Cc1noc(C)c1[C@]1(C)C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)NC(=N)S1 653878742 CKWDCGLBDXCILZ-PXNSSMCTSA-N 415.469 4.644 0 1 HJAF CCCCC[C@]1(CC(=O)c2ccccc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963216636 ACYQEICJXQRFHT-JYFHCDHNSA-N 416.521 4.882 0 1 HJAF Cc1cccc(N(C)c2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2)c1 963216838 AORDIKNHGQPWRF-CLJLJLNGSA-N 423.516 4.999 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cc(C)ccc2C)C(=O)OC)cc1 1772576100 YYDOIEYYLXOTIJ-HOYKHHGWSA-N 411.542 4.691 0 1 HJAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3cccc(Cl)c3)nn12 1772593855 MZVVDPHDZVWIQX-UHFFFAOYSA-N 401.253 4.560 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OC(F)(F)F)c3)n3c2CCOCC3)cc(C)n1 1772611448 XNVGVQDPTGBTAR-UHFFFAOYSA-N 421.394 4.839 0 1 HJAF CC[C@@]1(CCn2cc(COc3ccc(C)cc3)nn2)OCCc2c1[nH]c1ccccc21 1857599456 DTDHIMCTTNDNDN-VWLOTQADSA-N 416.525 4.915 0 1 HJAF O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)Nc1cccc2ccccc12 1857611929 DBCHWTLKNNUKJL-UHFFFAOYSA-N 421.456 4.761 0 1 HJAF CCCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)c1cccc2cccnc12 1911579799 BLSSVCVHSDSFKM-LQATUXICSA-N 408.523 4.511 0 1 HJAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)CC[C@@H]2Cc3occ(C)c3C[C@]12C 2356677178 KBUUBOOGAZPPCR-NAOSLSSXSA-N 402.531 4.939 0 1 HJAF CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC[C@@H]3CCCO3)c2c1 922182 FYCWFVJWVNMBLH-IBGZPJMESA-N 421.566 4.555 0 3 HJAF O=C(COC(=O)/C=C/c1ccccc1Cl)NCCc1ccc(Cl)cc1Cl 3300067 CPOAEIXUCGANLU-SOFGYWHQSA-N 412.700 4.562 0 3 HJAF CC(C)=CCOc1c(C)cc(O)c2c1[C@@H](O)Oc1c(CC=C(C)C)ccc(O)c1C2=O 13373317 WKCOWVOAMWLTDQ-VWLOTQADSA-N 424.493 4.874 0 1 HJAF biogenic,in-vitro CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(Cl)cc1Cl)C(=O)CC2 13744777 SZAIXFSNPPEGOG-UHFFFAOYSA-N 402.324 4.645 0 1 HJAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Cl)cc4Cl)oc23)CC1 25989387 WUFNJUSAQOHWQG-UHFFFAOYSA-N 418.276 4.897 0 1 HJAF COc1cc(CN2CCC3(CC2)OC(=O)c2ccccc23)c(OC)c2ccccc12 28861868 SRENOBXHPKBXOL-UHFFFAOYSA-N 403.478 4.519 0 1 HJAF COc1nc2ccc(Br)cc2cc1[C@@H](N[C@@H]1CCCO1)c1ccccc1 40395042 ZUWJOZQFGAIPRI-PMACEKPBSA-N 413.315 4.821 0 1 HJAF Clc1cccc(-n2cc(-c3ccccc3NCc3ccc4c(c3)OCO4)nn2)c1 40864135 NMBKGBDYMASKKJ-UHFFFAOYSA-N 404.857 4.929 0 1 HJAF Cn1c(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nc2ccccc2c1=O 40873234 DFPSNZGMYXFTMK-LJQANCHMSA-N 404.857 4.536 0 1 HJAF COc1ccc(Sc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1 71318718 CYLXABNZYVTFFR-UHFFFAOYSA-N 408.508 4.872 0 1 HJAF Cc1nc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)ccc1Br 73157190 QDDXWVAOEKELSK-AWEZNQCLSA-N 419.131 4.633 0 1 HJAF Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCCCC4)ncn3)[nH]c2cc1Cl 82154250 RMUXDTUSSPJZMC-KRWDZBQOSA-N 417.344 4.992 0 1 HJAF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)cc1 82165108 SFMMYJSIONWJMK-UHFFFAOYSA-N 404.445 4.909 0 1 HJAF O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 84617753 GJQZQVRIRSQPIP-UHFFFAOYSA-N 416.308 4.915 0 1 HJAF CC[C@@H](C)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br 96170626 YEPIOFDLMGAKEX-WYVULQQZSA-N 415.382 4.909 0 1 HJAF CCC(=O)[C@@H]1[C@@H](c2ccc(/C=C(/C)I)cc2)C[C@H]2CC[C@H]1N2 100911882 FMZWUJWDVRSFBN-GUVJJKMBSA-N 409.311 4.686 0 1 HJAF CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N3)cc1 102577093 MFOSPKMOBGUVJI-NRFANRHFSA-N 414.513 4.714 0 1 HJAF CCN(CC)C(=O)/C=C/[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299820374 PGJBQLZXSGYLAU-VODHSZETSA-N 414.634 4.891 0 1 HJAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073147 CXUMVYAZORFJPH-UHFFFAOYSA-N 417.962 4.521 0 1 HJAF N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1F 587142845 NQFLEUBHCCEDTA-LBPRGKRZSA-N 402.189 4.726 0 1 HJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1C)O2 587406231 ANBWKJSSASMTHP-IVCQMTBJSA-N 421.493 4.800 0 1 HJAF COCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573283 VQCCDZLAGSWOJL-QPPBQGQZSA-N 408.425 4.815 0 1 HJAF Cc1cc(C)c(-n2cccn2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587579338 DJMNEBCIJSNMJR-OFVILXPXSA-N 412.445 4.898 0 1 HJAF Cc1ccccc1C1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 587610125 PEAFWLYFMDRSKT-WIOPSUGQSA-N 416.473 4.779 0 1 HJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H]1CCCCCN1C(=O)OC(C)(C)C 587651693 YAAZQGCGHGNPIH-GOSISDBHSA-N 406.548 4.732 0 1 HJAF Cc1ccc(OC(F)F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587714541 GEAKKYVEUMFRRQ-RFAUZJTJSA-N 401.226 4.517 0 1 HJAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 587726988 AMUDAFLMFKSQIM-PRWKNARSSA-N 418.285 4.845 0 1 HJAF CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587798610 PKYBZAFXHIFHSF-DPMMWBKBSA-N 406.295 4.510 0 1 HJAF Cc1cc(C)nc(SC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587847574 UPUCRPYWVFAFKS-KPZWWZAWSA-N 410.356 4.537 0 1 HJAF Cc1nc(N2CCCCC2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587852709 NDGSULPAXWXVJR-DIFFPNOSSA-N 424.383 4.967 0 1 HJAF COCCCN1CCc2ccc(OC)cc2[C@]1(c1ccccc1)c1cc(C)ccc1N 961329118 XNEVIJFYONWRSM-HHHXNRCGSA-N 416.565 4.772 0 1 HJAF COc1cccc2cc([C@@]3(c4ccccc4)NC[C@H]4CC(=O)N(C)c5cccc3c54)oc12 963023716 KOXWBRPDNWUIPD-CLYVBNDRSA-N 424.500 4.787 0 1 HJAF COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c(C)c4ccccc4nc32)cc1 1772597519 QCIZPEXXZGQKRQ-UHFFFAOYSA-N 414.387 4.559 0 1 HJAF CCc1c(O)nc(=O)n(COCc2ccc(C(F)(F)F)cc2)c1CC1CCCCC1 1772630893 ZNOARWNNGZQVFP-UHFFFAOYSA-N 424.463 4.827 0 1 HJAF Cc1cc(-c2nc(-c3ccc(F)c(OC(F)F)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772638331 PKRQVNUXXFIVRI-CQSZACIVSA-N 417.431 4.931 0 1 HJAF CCOC(=O)COc1ccc(Nc2ncc(C)c(-c3cc4ccccc4o3)n2)cc1 1772655892 SEUMDMLURRULEZ-UHFFFAOYSA-N 403.438 4.884 0 1 HJAF CC(=O)C[C@@H]1OCC2=C1[C@H](C=COC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)C[C@@H]2O 2356594560 DOUGJCUAIIVOOP-UEOMBKFZSA-N 416.558 4.818 0 1 HJAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356818250 DSADZYPPAGRNLW-HPGQDJOYSA-N 402.575 4.983 0 1 HJAF C[C@@H]1C=CCCO[C@]12C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 36381893 ZGHFJFFMAKHRJY-SPLOXXLWSA-N 416.290 4.943 0 3 HJAF O=C1CN(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456675 ZEYSDGLBYLGYOR-OAQYLSRUSA-N 412.823 4.802 0 1 HJAF COC(=O)c1ccccc1NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 8611680 LNLYRPXQLILAEK-UHFFFAOYSA-N 400.434 4.652 0 1 HJAF CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(C(=O)O)cc1 13738042 WHEOFBARILXLCF-UHFFFAOYSA-N 410.470 4.671 0 1 HJAF O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2ccc(-c3ccccc3)cc2)on1 72142421 KMMUKYLABZBHOQ-UHFFFAOYSA-N 412.445 4.710 0 1 HJAF COc1ccc(CCNc2cc(Oc3ccc(F)cc3)ncn2)cc1Br 82067452 SXSQWWRLYUFFCH-UHFFFAOYSA-N 418.266 4.834 0 1 HJAF Fc1ccccc1CCNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1 82180786 WDLHGGLEMNBYHK-LJQANCHMSA-N 423.536 4.847 0 1 HJAF COc1cc(OC)cc([C@@H]2[C@@H](O)c3cc(OC)cc(OC)c3[C@H]2c2ccc(F)cc2)c1 96916239 IQHQQEGZNRCNAO-LSQMVHIFSA-N 424.468 4.823 0 1 HJAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCC=C(Cl)Cl)cc1 103219627 RYMHVUAVHRKINR-UHFFFAOYSA-N 401.196 4.625 0 1 HJAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3Cl)CC2)c1 103291403 YROXJEKONPJICC-UHFFFAOYSA-N 409.917 4.883 0 1 HJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)ccc3F)cc21 139732441 UDONKWVUKRXGRH-UHFFFAOYSA-N 410.376 4.921 0 1 HJAF CCc1ccc(COc2ccc(C3CN(C(=O)c4ccc(C)cn4)C3)cc2OC)cc1 143579670 JBYCYCIWFZHLSG-UHFFFAOYSA-N 416.521 4.780 0 1 HJAF COc1ccnc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ccccc2)c1 167386052 ZEBODEPVZIPGLD-DYESRHJHSA-N 402.494 4.876 0 1 HJAF CC1CCN(c2c(S(=O)(=O)c3cc(F)cc(F)c3)cnc3cc(F)ccc23)CC1 201541394 JGUGTDKZWQBISX-UHFFFAOYSA-N 420.456 4.721 0 1 HJAF COc1cc(Cl)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1 587066064 FYWCOFMSEHKWCZ-UHFFFAOYSA-N 420.037 4.545 0 1 HJAF CN(C)C(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110479 YUVJKPGKCBCTBO-UHFFFAOYSA-N 415.337 4.893 0 1 HJAF FC(F)(F)c1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 587116333 DUVIXLNPGJDGPO-UHFFFAOYSA-N 423.748 4.966 0 1 HJAF N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587158959 ZGCLQJNACFIUNJ-ABKXIKBNSA-N 414.200 4.825 0 1 HJAF Fc1ccc(-c2cnn(Cc3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 587165482 XAEYMKDLAGHSAI-UHFFFAOYSA-N 407.193 4.655 0 1 HJAF O=C(O)CSC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533364 SIXLPCVMUCQYLZ-JOCHJYFZSA-N 416.926 4.897 0 1 HJAF O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587639050 ZJIVZFQDKPRFPG-UHFFFAOYSA-N 414.417 4.557 0 1 HJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC(F)F)c2)N1 587722729 ZNECVHQENMRGOL-ZKANADHPSA-N 404.201 4.952 0 1 HJAF CCC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804658 CCBLPBYSLKHVDZ-PRWKNARSSA-N 422.294 4.536 0 1 HJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cccs2)N1 587852464 LEYYXNXXHCHITP-BMLIUANNSA-N 406.324 4.674 0 1 HJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)c(C)nn1C 587857815 VJWMYAVSHHZWJK-UHFFFAOYSA-N 413.692 4.639 0 1 HJAF COC(=O)c1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587949971 HAONNRVDCSHBSE-UHFFFAOYSA-N 419.319 4.597 0 1 HJAF Oc1nc(NCc2ccccc2)c2nc(Cc3ccccc3-c3ccccc3)nc-2[nH]1 587959695 SKMYGHUBXUZJTH-UHFFFAOYSA-N 407.477 4.880 0 1 HJAF O[C@@H]1CN2CCCCCC/C=C\CCC3=C[C@H]4CN5CCC/C=C\CC[C@H]2[C@H]([C@@H]35)[C@H]14 621430880 HMVINQSUNXRPKR-QBCUGWEGSA-N 410.646 4.935 0 1 HJAF Clc1cc2c(cc1[C@@H]1c3ccccc3C[C@H]3CN(c4ccccc4)CCN31)OCO2 962628788 DAYVGWZNLJDVJA-DFBJGRDBSA-N 418.924 4.905 0 1 HJAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)([C@H]1C(=O)[C@@]3(C)CC[C@H]1C3(C)C)NCC2 962914167 CTFISOXMTGSCCH-XNBKKKCTSA-N 405.586 4.574 0 1 HJAF CC(C)[C@]1(c2ccc(Cl)s2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983023 YIEAFELRSABMAA-PIGZYNQJSA-N 406.281 4.832 0 1 HJAF CNc1cc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)c(C)c2)ncn1 1772596811 MVVMXYWHIRXROA-UHFFFAOYSA-N 406.471 4.873 0 1 HJAF Cc1nnc([C@@H](CC(=O)O)c2cc(F)cc(-c3ccccc3OC(F)(F)F)c2)o1 1772622943 JLCUJLISQIMCHH-HNNXBMFYSA-N 410.323 4.689 0 1 HJAF COc1ccc(CN(CCO)Cc2nc3cccc(OCC4CCCCC4)c3[nH]2)cc1 1857540858 ZDAHXPHBNYETGJ-UHFFFAOYSA-N 423.557 4.525 0 1 HJAF COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4ccc(OC)c(OC)c4)cn23)c1 61930431 PSFLNABKTVFFLU-UHFFFAOYSA-N 417.465 4.653 0 3 HJAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(F)cc1Cl 4153225 WBQSPRIOLYAWBI-FPOVZHCZSA-N 418.896 4.886 0 1 HJAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccncc2)cc1 13553369 GFCFUWLICGPQJQ-VEXUSMLFSA-N 409.574 4.787 0 1 HJAF COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl 13755792 MSULOQJDYOQZPZ-UHFFFAOYSA-N 409.841 4.608 0 1 HJAF CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(I)ccc12 16893606 QCZZTGLRWDAZMG-CQSZACIVSA-N 411.331 4.762 0 1 HJAF COC(=O)c1cccc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 29048557 KCDKBOJTMBIFQE-UHFFFAOYSA-N 416.433 4.607 0 1 HJAF COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCCCCCCC(=O)CC[C@@H](C)O 34002564 OROJAERRGGSBPD-OXQOHEQNSA-N 406.519 4.853 0 1 HJAF biogenic CC1(C)C[C@]2(OC(=O)N(Cc3ccccc3)C2=N)c2cc(Br)ccc2O1 45288340 WMJSDTSZQJBGQG-FQEVSTJZSA-N 415.287 4.835 0 1 HJAF N=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1cccc(C(=N)NC[C@@H]2C[C@@H]2c2ccccc2)n1 58576736 CUKUTZPWSOAOPE-MYDTUXCISA-N 423.564 4.519 0 1 HJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccccn2n1)C(F)(F)F 64437020 HGZWFFDLJPIVDH-FQEVSTJZSA-N 410.411 4.686 0 1 HJAF c1ccc(-c2ccc(-c3cn(C[C@@H]4Cc5c([nH]c6ccccc56)CN4)nn3)cc2)cc1 64526853 GVSKLIPXNJUWLZ-NRFANRHFSA-N 405.505 4.808 0 1 HJAF FC(F)(F)c1ccc([C@H](NC2CCN(c3cncs3)CC2)c2cccnc2)cc1 72103211 GBOJIOBZHIDHJJ-FQEVSTJZSA-N 418.488 4.905 0 1 HJAF CCCCC(=O)N(Cc1ccc2ccccc2c1)c1cc(-c2nnn[nH]2)ccc1F 84654565 OVYUTGPAGJXDNA-UHFFFAOYSA-N 403.461 4.882 0 1 HJAF O=C(c1ccccc1)N1CCC(CCCCn2cc(/C=C/c3cccnc3)nn2)CC1 96921836 KQAATLUVBJBOMQ-VAWYXSNFSA-N 415.541 4.566 0 1 HJAF COc1ccc([C@H]2C3=C(CCCC3)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1OC 103162535 ZFDRUXWQDLHJSL-NRFANRHFSA-N 415.493 4.840 0 1 HJAF CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2Cc2ccccc2)CCCCC1)C1CC1 169329462 GIDTYIDLQSYENN-UHFFFAOYSA-N 414.549 4.943 0 1 HJAF CCONc1cnc(C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 169719092 IWAVXWMIICSKSL-UHFFFAOYSA-N 411.346 4.671 0 1 HJAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@@H]3C)n(C)n1 204917257 KOVPEGOTJHKICH-LBPRGKRZSA-N 419.920 4.643 0 1 HJAF O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(Cl)c(-c2cncnc2)c1 224271083 BHFPNMRGSVUFLM-UHFFFAOYSA-N 411.195 4.612 0 1 HJAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819560 GZGRNURZGJTHEM-QKONGSNMSA-N 402.623 4.725 0 1 HJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Br)ccc(Br)c2[nH]1 587087175 BPGBUJGQMDQZGV-ZETCQYMHSA-N 421.083 4.838 0 1 HJAF N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F 587155685 KAXJLQFMCCFAGL-ZBEGNZNMSA-N 414.200 4.825 0 1 HJAF N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F 587158961 ZGCLQJNACFIUNJ-JDNHERCYSA-N 414.200 4.825 0 1 HJAF Fc1c(F)c(F)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1F 587183954 LVOBARDYUGFVPC-PLNGDYQASA-N 418.131 4.894 0 1 HJAF CC(C)(C)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587187399 GLGTVXXVOHOFRX-UHFFFAOYSA-N 416.266 4.780 0 1 HJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 587475871 QOPQBUJXIUAIIB-CCHLGUQTSA-N 415.530 4.716 0 1 HJAF COc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521065 ADRGKDGMNKXGTH-RUZDIDTESA-N 424.493 4.698 0 1 HJAF CC(=O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576596 JOOGOSCYFYQAGA-RCZVLFRGSA-N 413.429 4.884 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccccc1 587579302 DBDGMBIOZYHHHQ-JYFHCDHNSA-N 424.456 4.771 0 1 HJAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)C 587597128 SKDWXMGUZBVVPT-HYBUGGRVSA-N 406.434 4.891 0 1 HJAF COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 587600580 OMITWAPTFARNGT-RCZVLFRGSA-N 402.446 4.983 0 1 HJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](O)c1ccccc1 587605940 BXSPGIQTFYNPNV-MSLLRLGPSA-N 424.452 4.983 0 1 HJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1c[nH]c2ccc(Br)cc12 587648655 CYRRICOUSCAHSP-UHFFFAOYSA-N 417.328 4.714 0 1 HJAF COC(=O)c1ccc([C@@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)s1 962633708 GLLNEMRIGGZYSI-CJFMBICVSA-N 418.562 4.545 0 1 HJAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3cccnc3OCC3CC3)C2)cc1 962643876 WWGSDOFKWPPWDN-ZEQKJWHPSA-N 411.549 4.707 0 1 HJAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)OC)cc1 1772604497 RKESULLGEWOCGT-OPAMFIHVSA-N 417.933 4.728 0 1 HJAF