smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc(OC)ccc3O)N2C1=O 22204886 UIAZRTMEJSNYAT-DENIHFKCSA-N 419.481 3.961 10 50 HHCA COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(=O)NC2=S)c1 1197565 FWMVBCQSJNHFCU-XDHOZWIPSA-N 418.474 3.688 10 50 HHCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(OS(C)(=O)=O)cc2)SC1=S 3000532 MIXZWYHSIBTGBS-WJDWOHSUSA-N 405.522 3.739 10 50 HHCA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccccc3O)C2)c(OC)c1 12459550 VRBITGXGVUXOAO-GOSISDBHSA-N 412.530 3.718 10 50 HHCA COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1O 15015243 FTSURFNIUXDDAU-IUXPMGMMSA-N 401.465 3.531 10 50 HHCA O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccccc1F 4951691 GKHPNOPXJNXXHN-GIDUJCDVSA-N 404.400 3.868 10 50 HHCA COc1cccc(CN2CCC[C@@H](NCc3ccc(OC)c(Cn4cccn4)c3)C2)c1 19781694 MHXKVSZEXQDGOH-HSZRJFAPSA-N 420.557 3.703 10 50 HHCA CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)ccc21 2049455528 GFGIGGYFDHLZNQ-UHFFFAOYSA-N 419.481 3.524 10 50 HHCA Cc1ccccc1N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)NC1=S 1023569 KZHAZHRMBIZBFE-KPKJPENVSA-N 407.278 3.839 10 50 HHCA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 1131095 BDNPXGFQXFBGET-VGSSETLESA-N 402.447 3.831 10 50 HHCA CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)CC1 19791522 WLBNKUZVUKSAHV-UHFFFAOYSA-N 418.415 3.932 10 50 HHCA biogenic CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 245227407 GRMRNUJFJXZTGH-YXAMBPQSSA-N 403.500 3.655 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c(C)c1 1174568 MUFUCYSKQWITTN-XMHGGMMESA-N 401.491 3.925 10 50 HHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC)C1 101385289 XXEHSBZPOHEQAK-VCSATFKPSA-N 403.500 3.511 10 50 HHCA CCCN(CCCS(=O)(=O)O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cn2)c(O)c1 15020105 DSOBYSHRIJISFE-FMQUCBEESA-N 423.451 3.605 10 50 HHCA CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1Br 16671137 TZMUBDKRIJHQCF-ZROIWOOFSA-N 420.694 3.630 10 50 HHCA COc1ccc(O)c(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)c1 11910076 ZMCKTPWQEABINW-GCJKJVERSA-N 412.505 3.596 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239309550 HRLXEJZZCIFVET-YXAMBPQSSA-N 405.516 3.879 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc1 55368902 URHQWFWNDOWJSO-CTDFXDFQSA-N 411.571 3.583 10 50 HHCA CCOc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1O 4590973 LIPSRSGWGDYNLJ-UHFFFAOYSA-N 402.922 3.973 10 50 HHCA COc1ccc(/C(C)=C2/SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 12342753 LFHUMMSKBNITQT-RVDMUPIBSA-N 419.553 3.772 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(F)c4F)C3)CC2)cc1 20536305 CREACZBXUYCVSN-HXUWFJFHSA-N 401.501 3.760 10 50 HHCA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cc(Br)ccc2O)NC(=O)N1 655256 APBIGOKUUFWDRF-QGZVFWFLSA-N 416.275 3.730 10 50 HHCA CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 9111594 MEZRQZVJBJMURX-FOWTUZBSSA-N 405.479 3.501 10 50 HHCA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O 1134022 QARMSIJMRWINKJ-GHRIWEEISA-N 407.445 3.655 10 50 HHCA COc1ccc(N2C(=O)/C(=C\c3cccc(OCC(=O)O)c3)SC2=S)cc1 4512538 IQRWOBLGGZLUPK-MHWRWJLKSA-N 401.465 3.564 10 50 HHCA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C)c4)C3=O)o2)cc1 16265601 BLTVBJUYSIUMRC-ZHZULCJRSA-N 416.433 3.893 10 50 HHCA CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1O 15011043 UWHRIEUPYVQVCJ-AUWJEWJLSA-N 406.441 3.694 10 50 HHCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc(OC)c1OC 217837854 SFXRLYQCUSHDEN-UHFFFAOYSA-N 407.382 3.961 10 50 HHCA biogenic O=C1NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1 2900087 CROCWZZEDGMAJB-UHFFFAOYSA-N 414.248 3.746 10 50 HHCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 2936837 ZLICMRURHXEIBF-LDADJPATSA-N 416.389 3.620 10 50 HHCA O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2533179 QFQDHIXYDLKLMU-BOPFTXTBSA-N 421.503 3.825 10 50 HHCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 979753 AVQCQDZVCVVEJH-LDADJPATSA-N 422.437 3.926 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOc2ccccc2)cc1 1826629 UBJSTPBOBJGDCT-OQKWZONESA-N 400.434 3.606 10 50 HHCA COC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CCCC2 917007 GVDPWHIYVXEPJS-OAHLLOKOSA-N 416.524 3.855 10 50 HHCA COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CC2)cc1 6702806 JGDZBCYFPJWGBO-UHFFFAOYSA-N 419.481 3.811 10 50 HHCA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC 1200223 SVBSPEYQOPMVLV-PDGQHHTCSA-N 408.454 3.884 10 50 HHCA COc1ccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 20255059 ZKHYBFRIRDPOQM-JOCHJYFZSA-N 408.521 3.833 10 50 HHCA Cc1ccc(-n2cc(/C=C3/C(=O)NC(=O)N(CCC4=CCCCC4)C3=O)cn2)cc1 16213550 ZTYNMICMHHSQQZ-MOSHPQCFSA-N 404.470 3.533 10 50 HHCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1 15799533 OWXHYIBOWQYZBG-SSZFMOIBSA-N 413.524 3.710 10 50 HHCA COc1cc(OC)c(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1OC 217772915 BRCKWRIYYMELSK-UHFFFAOYSA-N 407.382 3.961 10 50 HHCA biogenic Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 4310058 QHEBMGCYELDCLB-UHFFFAOYSA-N 400.459 3.897 10 50 HHCA COc1cccc(CN2CCC[C@H](NCc3ccc(OC)c(Cn4cccn4)c3)C2)c1 19781695 MHXKVSZEXQDGOH-QHCPKHFHSA-N 420.557 3.703 10 50 HHCA COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 170623282 HJYITRBKEYURFG-SNVBAGLBSA-N 404.829 3.573 10 50 HHCA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)CN1Cc1ccc(Cl)cc1 20598914 YCNYTKDRLCVGQY-SFTDATJTSA-N 415.965 3.526 10 50 HHCA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccc2c(c1)OCO2 13547382 ZTKJOGLOIGZPQY-PXNMLYILSA-N 400.437 3.725 10 50 HHCA Oc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2cccnc12 19638957 LOSGJNZYKIXCBE-UHFFFAOYSA-N 400.482 3.512 10 50 HHCA biogenic CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OCC 15822955 MXIVUBKXQYUVHU-LGMDPLHJSA-N 408.454 3.713 10 50 HHCA COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)cc1 2984423 QEBYIXIEWHUPTO-YVLHZVERSA-N 415.492 3.560 10 50 HHCA COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)cc(OC)c1OC 17145590 XWKMGRCWVYKKKK-DHDCSXOGSA-N 412.467 3.692 10 50 HHCA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Br)cc3)CC2)cc1 2850350 VCMGSNWEVCPETG-OAHLLOKOSA-N 419.319 3.574 10 50 HHCA COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 4575410 DWSCRGYCBNTQEO-UHFFFAOYSA-N 407.474 3.733 10 50 HHCA Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)c1 2998332 HRWZEPDZXLUTSJ-MHWRWJLKSA-N 413.476 3.500 10 50 HHCA COc1ccc(O)c(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 23375546 UEYTVSUHDQVAOW-HXUWFJFHSA-N 414.546 3.557 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl 2959558 OOTTUZPYTKAWOJ-XNTDXEJSSA-N 400.887 3.878 10 50 HHCA N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(SCc3ccccc3)=NN12 4673652 PSTWKLFYQIECDI-TUQWILOLSA-N 410.480 3.608 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1C 2979492 DWRYXTPNFHYRID-XSFVSMFZSA-N 401.491 3.925 10 50 HHCA COc1ccc(Br)cc1/C=C1/SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O 15856799 LZWXPMSBQBHKEF-UOZUHTBQSA-N 411.321 3.537 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3OS(C)(=O)=O)SC2=S)cc1 3000881 DXAKBZUTORMTOM-WJDWOHSUSA-N 405.522 3.739 10 50 HHCA CCOc1cccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1O 20535711 NOZAOSYNIJUSTA-QFIPXVFZSA-N 413.537 3.717 10 50 HHCA COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)O 4919232 VXJUVESIUVBZDN-ZROIWOOFSA-N 400.818 3.618 10 50 HHCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1ccccc1 1184113 UWQRLOWKLWVGPA-ATVHPVEESA-N 416.955 3.900 10 50 HHCA COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)C(=O)NC2=S)cc1 15659366 FNGRSUDVGCYULC-UYRXBGFRSA-N 418.474 3.688 10 50 HHCA CCCCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 4821379 PLJFLYNESCCKBI-UHFFFAOYSA-N 413.474 3.745 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1 1182178 SDWATGBHCJQCBQ-PTNGSMBKSA-N 401.513 3.912 10 50 HHCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OC 16511603 IUILDZPZBXZASJ-ATVHPVEESA-N 402.406 3.523 10 50 HHCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 13880899 XOFMBPFRUANQLW-UEMWTREESA-N 415.492 3.953 10 50 HHCA COc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1546077 NDPBMCKQJOZAQX-UHFFFAOYSA-N 421.456 3.536 10 50 HHCA in-vitro O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCCCC2)cc1 44910921 KLMDWFQAQVIJPP-UHFFFAOYSA-N 407.558 3.829 10 50 HHCA Cc1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12 4815438 BNEUZPNFBPTYGG-UHFFFAOYSA-N 408.439 3.996 10 50 HHCA CCOc1ccc(N2CCN(CCNC(=O)Nc3cc(C)ccc3Cl)CC2)cc1 5041862 OVMCBRNECCOPSF-UHFFFAOYSA-N 416.953 3.991 10 50 HHCA COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 13787603 MOWZGRUMZNEARW-GDNBJRDFSA-N 404.900 3.895 10 50 HHCA O[C@@H](c1cccs1)C1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 952988642 RDWRWBOONOPZMT-JOCHJYFZSA-N 400.544 3.891 10 50 HHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Cl)c3)C2=O)cc1 2958911 CQRRDTJOFFCCIT-LFIBNONCSA-N 414.845 3.804 10 50 HHCA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 1133438 JZCYQSCPJZTYBP-UJFYRASASA-N 415.423 3.551 10 50 HHCA CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N(C)C1=S 1186839 FSKZYIZGQVDESX-UHFFFAOYSA-N 400.887 3.518 10 50 HHCA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 2967046 JRDCAODQOQKVNW-LFIBNONCSA-N 405.522 3.594 10 50 HHCA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3ccccc32)S1 3880368 FMAFPBCYNPALIA-UHFFFAOYSA-N 407.538 3.967 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccnc1 37865601 NGKWEFLVNDHHLM-XNTDXEJSSA-N 403.916 3.965 10 50 HHCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1227906 COHIEJLWRGREHV-RDQDRAATSA-N 400.319 3.760 10 50 HHCA in-vitro COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 13601309 OTKYFZZFKBYAES-GDNBJRDFSA-N 404.900 3.895 10 50 HHCA CCn1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)n1 20607880 SEJRZEWHVHVDRN-WQRHYEAKSA-N 417.556 3.673 10 50 HHCA O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1CN1CCOCC1 22216108 COLUEPFERORABP-GZTJUZNOSA-N 404.488 3.577 10 50 HHCA CN(Cc1nccn1Cc1ccccc1)C1CCN(c2ccc3c(c2)OCO3)CC1 1506423178 UEFQTFIWEQVSGZ-UHFFFAOYSA-N 404.514 3.761 10 50 HHCA CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 2305544 GBDRWLHKRDWPKI-OQLLNIDSSA-N 424.409 3.719 10 50 HHCA CCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1OC 2381866 LYRIVPRAGQILEK-FOWTUZBSSA-N 409.529 3.940 10 50 HHCA CCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)cc1 2325719748 OHOAHXRRBZNNPW-KRWDZBQOSA-N 419.566 3.570 10 50 HHCA COc1ccc(Br)cc1/C=C1/SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O 4754799 LZWXPMSBQBHKEF-IPUWSDAOSA-N 411.321 3.537 10 50 HHCA COc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc(OC)c1O 9165515 HBJMPLYAMPECFX-MLPAPPSSSA-N 416.817 3.878 10 50 HHCA CCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OC 4040140 SBDGDGSAEJMTSN-VBKFSLOCSA-N 409.529 3.638 10 50 HHCA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 9311153 YZLCOGUCYSXARL-ATVHPVEESA-N 417.377 3.830 10 50 HHCA COCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C 2648266 HXVWXMZNFNTZMU-QNGOZBTKSA-N 407.466 3.585 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1 706673 PATKLQVDJAVBIY-LDADJPATSA-N 410.495 3.624 10 50 HHCA Cc1cccc(Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)c1 1186236 ALLYUDXZHPXYMR-UHFFFAOYSA-N 403.507 3.597 10 50 HHCA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 19720550 ODJCKWJQLUVUCZ-HXUWFJFHSA-N 415.965 3.841 10 50 HHCA CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(Cc2ccco2)C1=O 16265490 QTTXOJYZIWEGQX-PDGQHHTCSA-N 406.463 3.658 10 50 HHCA CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8951588 DBOXGNDYMJFDSO-GULXKOIASA-N 418.452 3.919 10 50 HHCA COc1ccc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 55060360 WJJYGUGKLRSQDC-UHFFFAOYSA-N 409.511 3.870 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 100285260 MYCPMISCHRNPFC-JMEGRJHJSA-N 403.500 3.655 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1C[C@H](C)CC2 104316539 DRIVUZOCVWJTKJ-VCSATFKPSA-N 403.500 3.511 10 50 HHCA Cc1cc(Br)ccc1N1C(=O)/C(=C/c2sccc2C)C(=O)NC1=S 1161594 JLNPOBNXLAERPD-XYOKQWHBSA-N 421.341 3.959 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 1172911 RKMDOABQPSUMEI-MHWRWJLKSA-N 415.243 3.514 10 50 HHCA Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1C 2982113 NLQRQGQUCNJDCR-XMHGGMMESA-N 401.491 3.925 10 50 HHCA COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccccc2)c1 2868825 VIZBBHFFDPRVPY-UHFFFAOYSA-N 408.454 3.828 10 50 HHCA O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccc2c(c1)OCO2 12615006 NSUIEQHVTFBUAR-PXNMLYILSA-N 400.437 3.725 10 50 HHCA COc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1Br 16667954 KAUCTONKMICYTJ-QPEQYQDCSA-N 407.651 3.573 10 50 HHCA c1ccc(CN2CCC[C@H](CNC3CCN(c4ccc5c(c4)OCO5)CC3)C2)cc1 1506409430 XFMNHGHUXKXKNI-OAQYLSRUSA-N 407.558 3.886 10 50 HHCA CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1OCC(=O)O 100147730 ZPLCMDVLHIIMKM-CXUHLZMHSA-N 415.243 3.719 10 50 HHCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 1185193 CIADUBHGOBZQQW-QGOAFFKASA-N 407.882 3.962 10 50 HHCA O=C(O)CCCCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 4980824 ZDSAUKMLMYPJKP-PTNGSMBKSA-N 401.513 3.923 10 50 HHCA CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N(C)C1=O 2905616 PMOZNIFLGDKLCH-UHFFFAOYSA-N 407.857 3.777 10 50 HHCA biogenic COC(=O)c1cccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c1 977412 UPGXBRYAEMZQJF-UHFFFAOYSA-N 404.374 3.915 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 100686682 RLSOPXMBRGJTNT-APYUEPQZSA-N 405.516 3.878 10 50 HHCA O=C(COc1ccc(F)cc1)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 115976149 SMBJEKFLONGRSU-CQSZACIVSA-N 412.383 3.746 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)C(=O)NC2=S)cc1 1142791 WIXLFNSELJBFSQ-LDADJPATSA-N 405.479 3.706 10 50 HHCA COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 1217861 AZYJBQRKBLICMX-PTNGSMBKSA-N 404.538 3.987 10 50 HHCA O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1816621 JQBXGMWSNAAQLK-ZROIWOOFSA-N 404.425 3.531 10 50 HHCA COCC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC 952985830 DWAGPGQDYOHAFE-UHFFFAOYSA-N 407.470 3.940 10 50 HHCA Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 1176800 ONUMTSJPHKBLGU-XYOKQWHBSA-N 407.314 3.650 10 50 HHCA O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1 22135468 KAXGSYSNMANGGZ-LHQXNBGVSA-N 413.296 3.837 10 50 HHCA COc1ccc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cccn1 20351395 IFCMCBILPBRNFT-XMMPIXPASA-N 416.569 3.661 10 50 HHCA CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 22185083 YHIHRYVTAPDHED-NTEUORMPSA-N 420.321 3.891 10 50 HHCA N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SN=C(SCc3ccccc3)N12 8769109 GSCODZSOFDVBPV-ZSCJGDHMSA-N 422.491 3.925 10 50 HHCA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)CN1Cc1cccc(Cl)c1 23362733 IBGCMUNDFYTLHS-SFTDATJTSA-N 415.965 3.526 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17083191 FAYYDKAQHIXEFZ-DCNYZXSGSA-N 405.516 3.879 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCCC2 1175222 PYWGQTDTTLPVSD-YPMHNXCESA-N 411.907 3.976 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCCOc1ccccc1 2180335 YWTDYTPMDQNKAV-RELWKKBWSA-N 414.461 3.996 10 50 HHCA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 799800 METWSRHAUIOERA-SFHVURJKSA-N 400.935 3.838 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 2293008 ZRFZDHNHNFFLPU-UYRXBGFRSA-N 408.410 3.871 10 50 HHCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 20109650 TWTHONKUBNGVOX-OAQYLSRUSA-N 412.574 3.863 10 50 HHCA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccccn1 888104073 ZQNKXSCCTLVMMF-UHFFFAOYSA-N 421.460 3.608 10 50 HHCA O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cc(Cl)cc(Cl)c1O 1875271203 AOFXNHAHYPPBJQ-MRXNPFEDSA-N 412.294 3.864 10 50 HHCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NCc2ccco2)cc1 16115782 LFTVEFSUSONJDZ-ZHZULCJRSA-N 418.409 3.621 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 1011243 SSMTYDGKLCBNRV-LFIBNONCSA-N 402.472 3.761 10 50 HHCA COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O 1214418 UGRUUXWCKGCZIU-SFQUDFHCSA-N 414.508 3.631 10 50 HHCA Cc1cc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)no1 1205805 RQCLQJOPOJWPGJ-DHDCSXOGSA-N 401.513 3.946 10 50 HHCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1 1153828 LKXDJSDNNHFXCH-YRNVUSSQSA-N 411.664 3.830 10 50 HHCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1227908 COHIEJLWRGREHV-SEVUFMINSA-N 400.319 3.760 10 50 HHCA in-vitro O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1898413 ZLRIKBKFZDQPKP-XNTDXEJSSA-N 418.452 3.921 10 50 HHCA O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cc(Cl)cc(Cl)c1O 1875271202 AOFXNHAHYPPBJQ-INIZCTEOSA-N 412.294 3.864 10 50 HHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1C 1185839 HEOKLNDYSKQSRZ-AWNIVKPZSA-N 405.237 3.982 10 50 HHCA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 799799 METWSRHAUIOERA-GOSISDBHSA-N 400.935 3.838 10 50 HHCA Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 1139804 RKWLZYAGEZHLNJ-XDHOZWIPSA-N 418.428 3.603 10 50 HHCA O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1cccnc1 970659 TZWWNLUOUARQEO-MLPAPPSSSA-N 410.307 3.935 10 50 HHCA CN1CCCCC[C@@H]1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 952967249 LATZYXKTCSXJDP-XMMPIXPASA-N 407.558 3.789 10 50 HHCA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccccc1O 15931901 DDJPKOBYTFHJEA-UVTDQMKNSA-N 419.222 3.715 10 50 HHCA CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)NC1=S 9295873 UQPHOHNDAMGLLU-DHDCSXOGSA-N 421.291 3.855 10 50 HHCA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCN(c4cnccn4)CC3)c12 218433807 VSICHZVRXFVFQZ-UHFFFAOYSA-N 420.494 3.543 10 50 HHCA CN1CCN(Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)CC1 19707318 ZEXHOJSTSDCKLT-UHFFFAOYSA-N 407.495 3.523 10 50 HHCA biogenic,in-vitro CCOc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2c1 20081485 ONZHLBLQKJCWOJ-YVLHZVERSA-N 412.492 3.921 10 50 HHCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1 2978066 RGCPPVFSZLTXJA-AQTBWJFISA-N 401.509 3.984 10 50 HHCA CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)c1 5113007 HIDPTYBHDIXUSI-DHDCSXOGSA-N 416.886 3.579 10 50 HHCA O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O 9349079 JHDIQDXWNHIDHH-MRXNPFEDSA-N 417.259 3.697 10 50 HHCA Cc1cc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)ccc1Br 1211506 AYEDNGLWZVZGST-OQLLNIDSSA-N 424.254 3.905 10 50 HHCA O=C1N=C(O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 15722785 HEHGHBMIDCFGGB-AQTBWJFISA-N 402.366 3.892 10 50 HHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c2ccccc12 1197508 WKOGODNGFUGKQA-CPNJWEJPSA-N 402.475 3.988 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cc(OC)ccc4F)C3)CC2)cc1 20784515 YBDINVRDPHKWIC-NRFANRHFSA-N 413.537 3.630 10 50 HHCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O 2914902 WUKDYRRBUHICMT-XYOKQWHBSA-N 407.278 3.833 10 50 HHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 22034010 YFTZXGMHEXWGTO-RGEXLXHISA-N 423.465 3.980 10 50 HHCA CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2sc3c(c2c1=O)CCCC3 2366572 ARYVDNDRBGAITD-UHFFFAOYSA-N 416.524 3.743 10 50 HHCA COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(N(C)C)cc4)N4CCC[C@@]34C2=O)cc1 12448703 FREKFVAKFMLVJD-OPHFCASCSA-N 405.542 3.699 10 50 HHCA CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 15011063 ZSIUYVLAIINCCB-YBEGLDIGSA-N 403.481 3.623 10 50 HHCA COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+]([O-])c2ccccc12 96028152 PNXZQXZPTYZCCM-UHFFFAOYSA-N 409.467 3.750 10 50 HHCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O 220957725 MHXRHORNDGONRJ-MKMNVTDBSA-N 407.278 3.833 10 50 HHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)o1 2915687 RYXDAFVLFWSHAN-YRNVUSSQSA-N 411.664 3.527 10 50 HHCA COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 13058278 ZNFYXETVUVNULJ-YBEGLDIGSA-N 401.465 3.808 10 50 HHCA COC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CCCC2 917006 GVDPWHIYVXEPJS-HNNXBMFYSA-N 416.524 3.855 10 50 HHCA Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 66156654 YVPGZQLRPAGKLA-UHFFFAOYSA-N 414.465 3.755 10 50 HHCA investigational Cc1cccc(N2C(=O)NC(=O)/C(=C/N3c4ccc(F)cc4CC[C@@H]3C)C2=O)c1C 101328574 GOCUMPODTJLOEA-HIXWQLQUSA-N 407.445 3.751 10 50 HHCA O=S(=O)(Nc1ccc(O)cc1OC(F)(F)F)c1ccc(OCC(F)F)cc1 170617700 GQTRFYWGZHHGTA-UHFFFAOYSA-N 413.320 3.736 10 50 HHCA COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCCCC2)cc(OC)c1OC 3053351 AOFTVDRTEGBGAK-NRFANRHFSA-N 401.459 3.722 10 50 HHCA in-vitro CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1192074 HAOZGAHRNIGLPB-SFHVURJKSA-N 400.935 3.838 10 50 HHCA Cc1c(N2C(=O)/C(=C/c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 2056051 JGNCCUSKEAIIIH-PTNGSMBKSA-N 413.549 3.952 10 50 HHCA O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1cccc2ccccc12 2985510 VPHOUPBJNYKMJE-UHFFFAOYSA-N 422.893 3.987 10 50 HHCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 100060445 YNCXHXYZTLIZTO-VKJFTORMSA-N 405.317 3.923 10 50 HHCA in-vitro COc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1Cn1cccn1 19226772 OMZJMZFUIPWPHW-OAQYLSRUSA-N 414.513 3.688 10 50 HHCA FC(F)(F)Cn1nnnc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 757945400 KZECEOYWRWNWNB-AWEZNQCLSA-N 424.452 3.570 10 50 HHCA CCc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)N(C)C2=S)cc1 1185706 BZHDVDYQPSTCHJ-CPNJWEJPSA-N 403.507 3.914 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)sc2c1CCCC2 1836015 HBRHOWIYIMLVAF-FCHUYYIVSA-N 417.527 3.707 10 50 HHCA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 4687735 UWTXWSWANXZJKK-RQZCQDPDSA-N 402.447 3.833 10 50 HHCA O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1816620 JQBXGMWSNAAQLK-NTEUORMPSA-N 404.425 3.531 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCCOc2ccccc2)cc1 2180331 YGSOKJAQCRTUKG-PTGBLXJZSA-N 414.461 3.996 10 50 HHCA COc1cccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c1O 12057756 HTDIYBWWVZKGPN-UHFFFAOYSA-N 420.513 3.995 10 50 HHCA C/C(NC[C@@H]1CCCO1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 101153023 QORQLDIKYBSIEC-IWQAVIMZSA-N 410.421 3.604 10 50 HHCA O=C(O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O 944521 SVMSPCODNMIVPY-UHFFFAOYSA-N 407.444 3.662 10 50 HHCA CN(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 1166371 AHKMYRMHHGMCEY-GZTJUZNOSA-N 400.276 3.608 10 50 HHCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 15821236 NUWWDGYOAIRITC-BOPFTXTBSA-N 408.797 3.760 10 50 HHCA O=C(C1=CN(c2cc(F)cc(F)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1 263619372 YLKDKJKETSUOMN-UHFFFAOYSA-N 422.428 3.883 10 50 HHCA COc1cccc(-c2cc(CC3(O)CCN(Cc4ccc(OC)cc4O)CC3)on2)c1 12579163 FDDZTXWUJRYTAP-UHFFFAOYSA-N 424.497 3.634 10 50 HHCA CCN(CC)c1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)c(OC)c1 15010104 IZGCAGBQAWOTAK-UYRXBGFRSA-N 411.527 3.812 10 50 HHCA CC1(C)OC(=O)C(=Cc2ccc(-c3ccccc3I)o2)C(=O)O1 1126442 STZIBDJGBYADJU-UHFFFAOYSA-N 424.190 3.771 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1C[C@@H](C)CC2 239309001 HCYWBISQVXIIPQ-AVVLXZEZSA-N 417.527 3.901 10 50 HHCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 13482393 NRXNPZVFDIWANY-NDENLUEZSA-N 403.438 3.658 10 50 HHCA CC(C)CCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888103851 DTMZNHDXLVMMOO-UHFFFAOYSA-N 414.509 3.737 10 50 HHCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 640383 ZUNJCQVFMHRTTP-UHFFFAOYSA-N 416.524 3.905 10 50 HHCA Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OS(C)(=O)=O)SC1=S 3001309 CZSMPNCUOJFAMQ-WJDWOHSUSA-N 405.522 3.739 10 50 HHCA CCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1OC 17836147 LAFBKUGLPHGJCQ-FKSQXNRSSA-N 404.532 3.954 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239403062 RLSOPXMBRGJTNT-YXAMBPQSSA-N 405.516 3.878 10 50 HHCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(S(=O)(=O)c3ccc(C)cc3)c2)cc1 1085948 TZYAHROQDGRCCW-UHFFFAOYSA-N 417.508 3.643 10 50 HHCA COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 1089930 OTKYFZZFKBYAES-XNTDXEJSSA-N 404.900 3.895 10 50 HHCA COc1cccc(C(=O)Oc2cccc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2)c1 16247139 SWQZYXYGNGSYGA-JMCWYTMQSA-N 405.435 3.691 10 50 HHCA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2O)n1 6490157 FUFWVYWCZIHIDD-SFHVURJKSA-N 419.441 3.817 10 50 HHCA CN(Cc1ccccc1)[C@@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 22914601 ZBBMACQSQXAEQK-HSZRJFAPSA-N 407.558 3.981 10 50 HHCA Oc1cc2c(cc1CN1CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C1)OCO2 1875260270 FBEMMZNEIFRBHD-VLIAUNLRSA-N 420.303 3.829 10 50 HHCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1C 6898083 HTUNCSSHDASLQP-YBEGLDIGSA-N 408.414 3.784 10 50 HHCA C/C(NC[C@H]1CCCO1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 101153025 QORQLDIKYBSIEC-ZTMOJVSCSA-N 410.421 3.604 10 50 HHCA COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 1805066 QLPGPHPPKQZNJY-KGZWWPETSA-N 415.492 3.731 10 50 HHCA Oc1cc2c(cc1CN1CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C1)OCO2 1875260271 FBEMMZNEIFRBHD-XOBRGWDASA-N 420.303 3.829 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCC2 1175224 PYWGQTDTTLPVSD-AAEUAGOBSA-N 411.907 3.976 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OC(=O)c2ccc(F)cc2)c1 1118465 WQYNCZPJHZSILZ-XSFVSMFZSA-N 402.381 3.506 10 50 HHCA N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 4664751 PCNHHIPPKZCPFK-PVKCIBLZSA-N 403.183 3.631 10 50 HHCA COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)cc1 239434056 YXWLUFJYUXOUAJ-RXOYHEDQSA-N 404.595 3.656 10 50 HHCA COc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc(OC)c1OC 13661541 AQOAOAFZVYEMEF-YBEGLDIGSA-N 403.481 3.824 10 50 HHCA COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)cc1 1143020 MKXVIYGNYABIER-UHFFFAOYSA-N 414.513 3.768 10 50 HHCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 10059834 SLBCUGJNMROTAA-MOSHPQCFSA-N 416.393 3.890 10 50 HHCA Cc1c(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1907853 ZCYIPBYVUVEZEW-ATVHPVEESA-N 423.519 3.596 10 50 HHCA CCOc1ccc(N2CCN(CCNC(=O)Nc3cccc(Cl)c3)CC2)cc1 55539477 IVTRINBOQQHRET-UHFFFAOYSA-N 402.926 3.682 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1C[C@@H](C)CC2 100648682 HCYWBISQVXIIPQ-NTLKJNNPSA-N 417.527 3.901 10 50 HHCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 103223135 FYLKWTHBHOBRNP-KNKQGSTJSA-N 405.454 3.894 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(OC)cc4F)C3)CC2)cc1 19745615 LMACYYFPBJDBFR-NRFANRHFSA-N 413.537 3.630 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc1 13799429 FFUUEUNJLVECFU-CYVLTUHYSA-N 410.564 3.945 10 50 HHCA N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 16248088 ZLHQTXHDPDPBDL-RBKZQELPSA-N 421.301 3.965 10 50 HHCA O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1899458 CBPOKMCVXUYVHW-XNTDXEJSSA-N 418.452 3.921 10 50 HHCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 1131638 BUOJCHRGKHNYHU-ATVHPVEESA-N 408.410 3.568 10 50 HHCA Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 1180307 KOJJGUBAQNAYFR-CXUHLZMHSA-N 424.254 3.607 10 50 HHCA Cc1cccc(Nc2cc(N3CCOCC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1 4811727 MQCNJDGSXLLSPZ-UHFFFAOYSA-N 413.477 3.933 10 50 HHCA CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2978211 CQDCULUTWQUDPL-HNNXBMFYSA-N 424.522 3.572 10 50 HHCA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccc(O)c(O)c3)nc2-c2ccccc2)o1 1857526498 JQGIJCDEZJIQNJ-UHFFFAOYSA-N 406.394 3.627 10 50 HHCA Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 4873402 QWWHTDAWUXCKDW-ZTPJVXOPSA-N 419.510 3.759 10 50 HHCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)cc1C 15821894 PMSNRRWXVPZWRC-BGARDKSCSA-N 408.410 3.662 10 50 HHCA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 16713836 XGCHZXVYVVQBBK-WZMONFQBSA-N 416.572 3.825 10 50 HHCA O=C1/C(=C/NCc2ccncc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 1208643 BIRNOVATQAFBQJ-ZRDIBKRKSA-N 403.389 3.630 10 50 HHCA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)C2=O 5031243 QNLRDTWLIGVDRB-UHFFFAOYSA-N 404.334 3.886 10 50 HHCA O=C(O)COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl 2815589 DHYOCIPWQLARGH-AUWJEWJLSA-N 409.872 3.798 10 50 HHCA O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 9015847 JDJIYHXJQCUAEM-PGMHBOJBSA-N 419.525 3.738 10 50 HHCA FC(F)(F)Cn1nnnc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 757945402 KZECEOYWRWNWNB-CQSZACIVSA-N 424.452 3.570 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)CC2)cc1 55568662 KRJFBFCJZLWECQ-IBGZPJMESA-N 413.949 3.775 10 50 HHCA CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 1153982 ADECBVWZLKUFBI-OQLLNIDSSA-N 402.809 3.933 10 50 HHCA O=C(Nc1cccc(F)c1)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 12377232 SNWYAQIJAWLDHM-UHFFFAOYSA-N 421.449 3.938 10 50 HHCA CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc23)cc1 2325748749 XIDUTVBVLMQWGI-UHFFFAOYSA-N 410.904 3.666 10 50 HHCA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 14010845 UOIKHWRYQSQBMU-RAXLEYEMSA-N 404.253 3.726 10 50 HHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 22239196 DISXPUINSCGKJX-KPKJPENVSA-N 421.236 3.764 10 50 HHCA CN(C)c1ccc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1C(=O)O 823736179 BXEURFPITMABEG-UHFFFAOYSA-N 410.429 3.966 10 50 HHCA biogenic COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccco3)CC2)cc1 6709715 PADUMNZQSCFBBX-UHFFFAOYSA-N 405.454 3.503 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S 2897831 SDIYUXPHUZQZOX-NTUHNPAUSA-N 424.297 3.995 10 50 HHCA COCCc1noc([C@@H]2CCCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)n1 1506395730 LUGXGCAIPHDDCP-HXUWFJFHSA-N 410.562 3.596 10 50 HHCA COC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCCC2 17083201 WAFOZVVFMMBGIO-DCNYZXSGSA-N 405.516 3.879 10 50 HHCA Cc1ccc(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1C 1811596 XDYMXNPCDFKDET-ZCXUNETKSA-N 424.503 3.511 10 50 HHCA COc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)SC2=S)cc1 1134182 WKDHKAHFJDVCOC-LSCVHKIXSA-N 415.492 3.834 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 239119563 IVFLOMBMZSYNAC-DVKYCARXSA-N 417.527 3.901 10 50 HHCA COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)cc1 15013191 TXWCEJITOOAKND-KGENOOAVSA-N 415.449 3.978 10 50 HHCA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C1=O 1176229 UNNCOOYUDZNGIZ-DEDYPNTBSA-N 414.465 3.718 10 50 HHCA O=C1N=C(O)/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156507 ZVDOSDQSUUIJOP-NTEUORMPSA-N 416.187 3.864 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCC)c1 1176704 ZLAXIWHGAVDUDT-XDHOZWIPSA-N 408.454 3.767 10 50 HHCA CN(C)c1ccc(/C=C2\N=C(c3ccccc3I)OC2=O)cc1 2878940 NYVQOBAHLYOGFE-WJDWOHSUSA-N 418.234 3.702 10 50 HHCA COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1 15222341 RNFMKCLNLQOTCG-GZTJUZNOSA-N 414.508 3.558 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)sc2c1CCCC2 1128793 NBEPGHNEWFAPRN-AWEZNQCLSA-N 412.511 3.795 10 50 HHCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)o3)C2=O)cc1 4473828 JKGMAXQQOZVFNK-ZROIWOOFSA-N 403.232 3.832 10 50 HHCA CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)cc1 4723879 QAWVLDDQVKOCKX-GDNBJRDFSA-N 400.887 3.742 10 50 HHCA CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)O 16193484 UYQASGKUISCHBL-WQRHYEAKSA-N 412.467 3.940 10 50 HHCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 100148877 FWVJRBIFXSXEPX-LTGZKZEYSA-N 424.526 3.580 10 50 HHCA CCOC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1217729 XCGRXPVWCAXTKN-RAXLEYEMSA-N 414.346 3.994 10 50 HHCA COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)c1 4524148 ASYYDXCAIAVMMR-DHDCSXOGSA-N 400.818 3.862 10 50 HHCA CCNC(=O)c1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cc1 1857527819 XVDXMBUYEOIQKJ-UHFFFAOYSA-N 403.473 3.796 10 50 HHCA CCCCN(CC)C[C@H]1C(=O)N(C(=O)c2ccc(C)cc2)N=C1c1ccccc1O 25585276 RIAXRFLQRQLAQH-HXUWFJFHSA-N 407.514 3.826 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1 19939045 PUERMKCIIAEHRU-QHCPKHFHSA-N 409.574 3.804 10 50 HHCA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 4321136 KVXCJDBYPIEREP-JOCHJYFZSA-N 423.513 3.783 10 50 HHCA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OC)ccc3ccccc23)C1=O 5043578 KTEMWRPWRGHLIL-LGMDPLHJSA-N 402.406 3.523 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCC2 17083196 WQMBSOYIDGEVGC-UQZDFYISSA-N 405.516 3.878 10 50 HHCA COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCCCC2)cc(OC)c1OC 1586960 AOFTVDRTEGBGAK-OAQYLSRUSA-N 401.459 3.722 10 50 HHCA in-vitro COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(F)c(OC)c4)C3)CC2)cc1 19336093 FOUWPMYJCAPTII-NRFANRHFSA-N 413.537 3.630 10 50 HHCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 4321137 KVXCJDBYPIEREP-QFIPXVFZSA-N 423.513 3.783 10 50 HHCA O=C1N=C(O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 1185704 RQZSXOKOFWKLHI-MHWRWJLKSA-N 420.352 3.685 10 50 HHCA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 13452500 LRIVHBGJSNUONR-RGEXLXHISA-N 402.406 3.585 10 50 HHCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 13898609 NCGDYMXELPWCLV-DHDCSXOGSA-N 402.453 3.710 10 50 HHCA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 4482827 CZTFGWXAIXIAPL-XNTDXEJSSA-N 400.437 3.787 10 50 HHCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O 13615679 UXFBAFSCUZDDSJ-ZSOIEALJSA-N 407.651 3.573 10 50 HHCA COCCc1noc([C@H]2CCCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C2)n1 1506395727 LUGXGCAIPHDDCP-FQEVSTJZSA-N 410.562 3.596 10 50 HHCA CCOc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC 15821776 OIOVMYWVZITHTN-DHDCSXOGSA-N 404.825 3.738 10 50 HHCA O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nccs1 19952961 CVQBLXQDYGEFLX-UQAUATQKSA-N 401.538 3.929 10 50 HHCA Oc1ccc(Cl)cc1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 23375066 XQYGSPWTMYUSTE-OAQYLSRUSA-N 403.929 3.971 10 50 HHCA NC1=NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)S1 8829721 WHHBIURMEKIKFL-PDGQHHTCSA-N 410.476 3.537 10 50 HHCA aggregator O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Br)s1 10113597 BJTZJRGBGGZCKS-UHFFFAOYSA-N 401.351 3.589 10 50 HHCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C 1154205 RYAKOUXXUMGTPV-LFIBNONCSA-N 414.845 3.802 10 50 HHCA Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)s3)C2=O)c1 1214625 WXJJHSOGOSIREW-MDWZMJQESA-N 405.273 3.794 10 50 HHCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc2c1OCCO2 217877750 XWLHPGBROGRYKU-UHFFFAOYSA-N 405.366 3.715 10 50 HHCA biogenic COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)c3ccccc3C(=O)[C@H]12 254757526 VOPXBRBTYQNZFZ-NXPNQGMMSA-N 422.091 3.959 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 101391550 LWEQYPUQHXGNHP-APYUEPQZSA-N 403.500 3.655 10 50 HHCA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1C(F)(F)F 1153407 QFMXXGPMYMNKSN-UHFFFAOYSA-N 405.376 3.547 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3ccc(OS(C)(=O)=O)cc3)SC2=S)cc1 3000539 HQYTWAVARRUFNL-WJDWOHSUSA-N 405.522 3.739 10 50 HHCA Cc1cc(Br)c2c(c1)/C(=C1/SC(N3CCCCCC3)=NC1=O)C(=O)N2 100481357 LECHVJGDLMGSRA-SQFISAMPSA-N 420.332 3.926 10 50 HHCA CCCc1ccc([C@H](C)NC(=O)CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 22751933 XURAVEAAHWIYGF-NRFANRHFSA-N 422.617 3.700 10 50 HHCA COc1cc(-c2nc(-c3ccccc3)c(-c3oc(C)cc(=O)c3O)[nH]2)cc(O)c1O 1848443110 VVEVHRZNAZLTJG-UHFFFAOYSA-N 406.394 3.798 10 50 HHCA O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(O)cc1 1175451 LNAZMBDIMZCJAN-KGENOOAVSA-N 414.417 3.638 10 50 HHCA COC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 17083200 WAFOZVVFMMBGIO-INCPQMAJSA-N 405.516 3.879 10 50 HHCA COc1ccccc1/C=C1\SC(=S)N(CNc2cccc([N+](=O)[O-])c2)C1=O 334160300 AMZRKGWKNRGFNR-SXGWCWSVSA-N 401.469 3.874 10 50 HHCA CCn1c(/C=C2/C(=O)N(C)c3ccc(Br)cc32)nc2ccccc2c1=O 32618003 BKZWSZIBAPPCMN-RVDMUPIBSA-N 410.271 3.696 10 50 HHCA c1ccc(-n2ncc3c2CCC[C@@H]3NC2CCN(c3ccc4c(c3)OCO4)CC2)nc1 39500853 FCDRJYKZEROPRH-FQEVSTJZSA-N 417.513 3.632 10 50 HHCA Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 981109 BYRHOXHIOMQHLO-YBFXNURJSA-N 401.422 3.920 10 50 HHCA COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2nc(C)cs2)C1=O 2980582 AIDXCQKQQWVGBN-ZROIWOOFSA-N 419.553 3.690 10 50 HHCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 20109651 TWTHONKUBNGVOX-NRFANRHFSA-N 412.574 3.863 10 50 HHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O 1214297 GHGDZDOBCINLKI-OVCLIPMQSA-N 414.845 3.728 10 50 HHCA Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 1875354295 UCVJJXOVVGPQPE-DLBZAZTESA-N 412.486 3.629 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(O)c(Cl)c4)C3)CC2)cc1 23373668 IZLKPTFHBUGRLJ-FQEVSTJZSA-N 415.965 3.841 10 50 HHCA CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 238900593 JRJLYCYGHKJFHH-VAMGGRTRSA-N 413.905 3.661 10 50 HHCA CN(C)c1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 13774397 HLSNKKDPZAGCBK-CXUHLZMHSA-N 417.321 3.739 10 50 HHCA Cc1c(Cl)cccc1N1C(=O)N=C(O)/C(=C\c2ccccc2OCC(=O)O)C1=O 20149509 BHFSNZMTJKXYPA-UKTHLTGXSA-N 414.801 3.619 10 50 HHCA CCCCN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 6042634 JPRPKAWEGMOTJY-VLUKHXRESA-N 402.541 3.584 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 239030831 CJMKMKWRGVGPJV-DVKYCARXSA-N 417.527 3.900 10 50 HHCA COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2 239403088 RMGYGYBIBZRJDX-YXAMBPQSSA-N 403.500 3.655 10 50 HHCA CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1cccc(F)c1 1112545 MLDRQFLTJBHKIE-ODLFYWEKSA-N 414.458 3.910 10 50 HHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 1186562 LTZBEQQSTLXAJH-FOWTUZBSSA-N 415.902 3.755 10 50 HHCA CCOc1ccccc1N1CCN(Cc2cc(Br)cc(OC)c2O)CC1 53175258 FGZYWXNTJOOGDX-UHFFFAOYSA-N 421.335 3.884 10 50 HHCA COc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3C)CC2)cc1 230513023 MOTIDGFPNYVFNT-UHFFFAOYSA-N 415.342 3.821 10 50 HHCA Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)no1 1192335 VKZOCQVPOUNLQG-LCYFTJDESA-N 407.904 3.866 10 50 HHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1 1205029 NBGVCLOOXDMZAN-NTEUORMPSA-N 405.635 3.769 10 50 HHCA COc1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 4371918 WQLQUEFLOICSJL-UHFFFAOYSA-N 401.315 3.513 10 50 HHCA Cc1noc([C@@H](NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C(C)C)n1 170625573 MVFOMOGSHIKISE-FQEVSTJZSA-N 410.474 3.684 10 50 HHCA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O 2075723 CKOCMBIKZFNGHT-IZZDOVSWSA-N 423.277 3.539 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 239128764 KTHFHVLRIZBOIV-AVVLXZEZSA-N 417.527 3.901 10 50 HHCA COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)c1 4258669 SKJNFSFQLFOUKF-UHFFFAOYSA-N 414.483 3.890 10 50 HHCA CC(=O)C(C(C)=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1O 101404568 FDJHCKIJCLVOEQ-UHFFFAOYSA-N 411.479 3.916 10 50 HHCA CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 13153528 ACQINELRTJJBKZ-AQTBWJFISA-N 410.930 3.865 10 50 HHCA Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 15768811 XJGMCFFLCXEIGK-JAIQZWGSSA-N 416.462 3.773 10 50 HHCA COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)c1 666636 SBBLBDRUBMCTHP-PDGQHHTCSA-N 422.824 3.848 10 50 HHCA COc1ccc(N2CC3(CN(Cc4cccc(OCc5ccccn5)c4)C3)C2)cc1 2100480620 KNNKYTFNZRMVEZ-UHFFFAOYSA-N 401.510 3.991 10 50 HHCA O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccncc1 1209090 GFXLVEWNFVMATJ-JYRVWZFOSA-N 410.307 3.935 10 50 HHCA CN(C)c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1Br 1185344 ANYHCQZCVODSBX-UHFFFAOYSA-N 402.244 3.697 10 50 HHCA COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nn3-c3ccccc3)CC2)cc1 170625257 RXGWCBQLBYIPON-UHFFFAOYSA-N 404.514 3.967 10 50 HHCA CN(Cc1ccccc1)[C@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 22914606 ZBBMACQSQXAEQK-QHCPKHFHSA-N 407.558 3.981 10 50 HHCA CN(Cc1ccccc1O)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 64103273 UOYBJGSQIJBJFE-UHFFFAOYSA-N 418.950 3.733 10 50 HHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 1197658 HMMOSTBUAOZXLO-AQTBWJFISA-N 411.914 3.772 10 50 HHCA CCCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1O 2470736 CMNHQEXGOSEKLW-HXUWFJFHSA-N 423.425 3.973 10 50 HHCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(Br)cc1 849755 QLLLVDZPFDUZJY-YVLHZVERSA-N 413.271 3.717 10 50 HHCA O=c1ccc(-c2ccccc2)nn1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 1506420868 LSLKQQRZECGOBH-UHFFFAOYSA-N 414.553 3.658 10 50 HHCA COc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1 6702616 PYGTXBGQDQVBGC-UHFFFAOYSA-N 415.493 3.910 10 50 HHCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 5073422 LPWGQEHMEASIDD-UNOMPAQXSA-N 403.394 3.933 10 50 HHCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Br)cc1 910346 PXRHMENDVUPECE-ZROIWOOFSA-N 422.076 3.673 10 50 HHCA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 4600020 IGPDCFRNCCQAEI-CXUHLZMHSA-N 415.423 3.553 10 50 HHCA COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 5060922 JHPSYDNFMZZQGR-RIYZIHGNSA-N 407.278 3.833 10 50 HHCA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1C 6269274 IIYHDWHRDGAVLO-UHFFFAOYSA-N 404.517 3.696 10 50 HHCA COc1ccc(CN2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2CCO)c(C)c1C 20915910 VIDLJIMXMQTBGE-NRFANRHFSA-N 418.965 3.740 10 50 HHCA COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1cccs1 1076462 PBCDBBQWYAKCBD-UHFFFAOYSA-N 412.467 3.659 10 50 HHCA CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 1228291 SMWDTDWXBYGOTR-WJDWOHSUSA-N 417.943 3.952 10 50 HHCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(Cc4ccco4)C3=O)c2C)cc1 16265831 QBXWHJCZXSBFMI-NDENLUEZSA-N 419.506 3.822 10 50 HHCA Cc1c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1 631981 ZRDFSRMSIKMGTQ-UHFFFAOYSA-N 403.507 3.597 10 50 HHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O 15836353 IHQDPRAKUJMXOF-AWNIVKPZSA-N 421.236 3.764 10 50 HHCA CC(C)CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500495 GTNMXCVETGHFIL-XMMPIXPASA-N 416.525 3.560 10 50 HHCA C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 252537641 LXRFCARZLWLFKT-LPHOPBHVSA-N 417.981 3.841 10 50 HHCA COc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cncn1 14977316 PBOAHENZCSLJNE-QGZVFWFLSA-N 402.502 3.680 10 50 HHCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 1176282 LPIYKLARIBDFJO-FYJGNVAPSA-N 414.465 3.718 10 50 HHCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 6221909 CWGRXFKQAMAUHJ-BOPFTXTBSA-N 408.797 3.760 10 50 HHCA COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1Br 15724117 XIIADXAZCISBKY-NVNXTCNLSA-N 415.243 3.962 10 50 HHCA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cccc(O)c1 15931899 OCVSUPOGXFXWQP-YBEGLDIGSA-N 419.222 3.715 10 50 HHCA COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 22107455 IOVUQDFJPNAKCV-UYRXBGFRSA-N 402.475 3.988 10 50 HHCA Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)c1 686189 YBNHXTYCMKBXPC-DEDYPNTBSA-N 416.506 3.629 10 50 HHCA CCOC(=O)C1CCN(Cc2cc(Br)cc(Br)c2O)CC1 16662810 XGCHAFPKDCHPPK-UHFFFAOYSA-N 421.129 3.692 10 50 HHCA O=c1c(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc2cccc3c2n1CC3 218260651 XOGNRLFKQJVGRW-UHFFFAOYSA-N 410.389 3.807 10 50 HHCA CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cc(Br)ccc2O)NC(=O)N1 940184 ONYPLBAMDXSEQY-KRWDZBQOSA-N 416.275 3.730 10 50 HHCA O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1Cc1cccnc1 1146394 OIVLPTNPXLPJIV-AUWJEWJLSA-N 407.314 3.951 10 50 HHCA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(N(C)C)cc2)N2C(=O)CSC2=N1 1124666 YIBRHLPSZOLTJH-NRFANRHFSA-N 420.538 3.960 10 50 HHCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)-c3ccccc3C4)C2=O)c1 4834219 GQLGXKIGPUZIGG-UUYOSTAYSA-N 410.429 3.933 10 50 HHCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl 12362862 LXCMYLZGUUMZRN-ZROIWOOFSA-N 400.887 3.797 10 50 HHCA O=C1N=C(O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 15722663 MQGBSWAVCIXXJY-AQTBWJFISA-N 402.366 3.892 10 50 HHCA Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)o1 1187342 UTCGHQAKDVXJBJ-MDWZMJQESA-N 423.313 3.897 10 50 HHCA COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OCc1ccccc1 1152398 RUIZDWPMDDZXNB-XSFVSMFZSA-N 410.495 3.577 10 50 HHCA Cc1cc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 225764421 XEEXPSPDMCKPHE-QHCPKHFHSA-N 412.534 3.866 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1C[C@H](C)CC2 239297057 DRIVUZOCVWJTKJ-APCWTUGXSA-N 403.500 3.511 10 50 HHCA COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)cc1 6702172 ZFEOACQCGORZBS-UHFFFAOYSA-N 405.454 3.503 10 50 HHCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc2ccccc12 1215708 CMPOQGKJUKZWNN-UHFFFAOYSA-N 416.433 3.567 10 50 HHCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 15013091 GIYQLGSNERKPGW-PTNGSMBKSA-N 401.850 3.754 10 50 HHCA CC(=O)O[C@@H](CCc1ccc(O)c(O)c1)C[C@@H](CCc1ccc(O)cc1)OC(C)=O 206485340 PBCHINDGXDDCEA-RTWAWAEBSA-N 416.470 3.622 10 50 HHCA biogenic COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1OC 13914916 XUHNFWAUECSSFY-CHHVJCJISA-N 400.818 3.862 10 50 HHCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S3)CC2)cc1 1183808 HLTCCGGVOZWZQQ-RGEXLXHISA-N 408.483 3.696 10 50 HHCA COc1cc(-c2nc(-c3ccc(O)c(O)c3)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526590 NNAZWSUZDYZDBA-UHFFFAOYSA-N 422.393 3.503 10 50 HHCA COc1ccc(N2CC3(CN(C(=O)c4csc(Cc5ccccc5)n4)C3)C2)cc1 2100556902 VBIFHOAALLOLJZ-UHFFFAOYSA-N 405.523 3.705 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)NC2=S)cc1 4725193 BYGIGKUGUXROJV-GDNBJRDFSA-N 416.886 3.579 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1C(=O)O 15746305 PUWHBLFXJWGIFD-GXDHUFHOSA-N 418.521 3.676 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2566910 CLHFOCNNCZBREZ-AWNIVKPZSA-N 424.843 3.794 10 50 HHCA COC(=O)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 4482828 UWXXNBNUKOQMCD-XNTDXEJSSA-N 400.437 3.787 10 50 HHCA CS(=O)(=O)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 16193054 XQBDWLKSJHRVFJ-GDNBJRDFSA-N 409.485 3.570 10 50 HHCA N=C1/C(=C/c2ccc(C(=O)O)cc2)C(=O)N=C2SC(SCc3ccccc3)=NN12 20138550 ZCCNPNMJHAVASI-ACXWOISZSA-N 422.491 3.895 10 50 HHCA c1cc2c(cc1N1CCC(N3CCC(c4nnc5n4CCCCC5)CC3)CC1)OCO2 1506400535 APULNKFDAJUFMM-UHFFFAOYSA-N 423.561 3.582 10 50 HHCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)NC2=S)c1 2919914 YYJZSYORBOLLSJ-XSFVSMFZSA-N 423.538 3.763 10 50 HHCA CCOc1ccc(N2CCN(CCNC(=S)Nc3cccc(C)c3C)CC2)cc1 55545168 TYXOCCAQPCVDSF-UHFFFAOYSA-N 412.603 3.811 10 50 HHCA CCn1c2c(c3cc(C(=O)N[C@@H]4COc5c(cccc5OC)C4)ccc31)CCCC2=O 824804730 KTSDXOPLRBNTBT-KRWDZBQOSA-N 418.493 3.922 10 50 HHCA COc1ccc(CN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)SC2=S)cc1 15837669 ASVZYCAFEMIAGW-SXGWCWSVSA-N 402.453 3.710 10 50 HHCA CCN1CCCc2cc(CN3CCC4(CC3)C[C@H](O)c3nn(CC)cc3O4)ccc21 2325872161 KPMYZARPDBPISO-NRFANRHFSA-N 410.562 3.526 10 50 HHCA COc1ccccc1N1C(=O)/C(=C\c2ccc3c4c(cccc24)CC3)C(=O)NC1=S 4873004 MJCYPFHCYCQBTG-AQTBWJFISA-N 414.486 3.778 10 50 HHCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 1172252 QFBBWXYETGBISH-UHFFFAOYSA-N 417.830 3.582 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1C 1101056 XJFAKWYRUCVVOZ-DEDYPNTBSA-N 417.490 3.631 10 50 HHCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 15746315 HHZKSFDEOVINOY-KAMYIIQDSA-N 403.554 3.936 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C(=O)O)sc2c1CCCC2 244724654 MYCPMISCHRNPFC-AUCKXGGESA-N 403.500 3.655 10 50 HHCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl 12363188 YYXYDSYNEGKBIO-ZROIWOOFSA-N 400.887 3.797 10 50 HHCA COc1cccc(C(=O)[C@@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 39413126 XXULDPCLMYZXSD-LJQANCHMSA-N 422.525 3.988 10 50 HHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 14011061 OMPFIZUVWXYGGP-CPNJWEJPSA-N 407.470 3.516 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccco2)c(Cl)c1 1120155 LRYHFXTXEKMBPW-RVDMUPIBSA-N 408.797 3.614 10 50 HHCA Cc1cc(C(=O)NS(=O)(=O)c2cccc3cnccc23)c(C)n1-c1ccccc1 111225479 CEDKURKTJXSXBR-UHFFFAOYSA-N 405.479 3.761 10 50 HHCA COc1ccc2cc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)c(=O)[nH]c2c1 217879487 YBCWLBLMCRQEIB-UHFFFAOYSA-N 414.377 3.786 10 50 HHCA biogenic CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2O)n1 653871 WRBGPQTZGJKYAD-CQSZACIVSA-N 411.443 3.570 10 50 HHCA CN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N(C)C1=S 655870 ZGTWRCHMZOAXIX-UHFFFAOYSA-N 400.887 3.518 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239403060 RLSOPXMBRGJTNT-GVAFMPQTSA-N 405.516 3.878 10 50 HHCA O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 1163755 VDCSGRWOVZGDEX-LDADJPATSA-N 409.417 3.587 10 50 HHCA Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 4746503 KIQKTHCYRAGMNQ-DHZHZOJOSA-N 410.571 3.528 10 50 HHCA CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S 1127872 XAMIJEGMQUPQMX-AQTBWJFISA-N 413.930 3.970 10 50 HHCA Cc1cccc(N2C(=O)NC(=O)/C(=C/N3c4ccc(F)cc4CC[C@H]3C)C2=O)c1C 16212586 GOCUMPODTJLOEA-IIMQCXAKSA-N 407.445 3.751 10 50 HHCA CS(=O)(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 16193132 DOWAGHQAMHGBQF-GDNBJRDFSA-N 409.485 3.570 10 50 HHCA O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1F 136607518 OHQXLPGMIWWSJL-PWRODBHTSA-N 404.397 3.582 10 50 HHCA Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C(=O)Nc3cccnc3)CC2)cc1 1875262032 ZSSZDAFGVGCBMS-UHFFFAOYSA-N 402.498 3.980 10 50 HHCA COc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=S)N=C2O)c(OC)c1OC 1307578 QHTIKMZZHKZZAD-RVDMUPIBSA-N 412.467 3.692 10 50 HHCA COc1c(Br)cc(/C=C2\SC(=S)NC2=O)cc1Br 15685504 FGDKWJUUYQTFFJ-YWEYNIOJSA-N 409.124 3.709 10 50 HHCA CC(C)c1cc(C(F)(F)F)c(=NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH]n1 1875258411 KSQGPWUKWMBUCF-UHFFFAOYSA-N 412.431 3.753 10 50 HHCA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3Cc4ccccc4C3)c2)cc1 1148914 IBAPIMWTDXVRKA-UHFFFAOYSA-N 421.522 3.709 10 50 HHCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)cc1C 36042412 JKFICPIMSFBOJJ-WQRHYEAKSA-N 419.393 3.639 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4c(F)ccc(F)c4F)C3)CC2)cc1 20118051 FXRTXSDYSHZCAI-GOSISDBHSA-N 419.491 3.899 10 50 HHCA CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 1294216 AFPVIZYHBLNPKV-VBKFSLOCSA-N 422.535 3.528 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccccc1 4860535 OJTICTILRRCXHC-DTQAZKPQSA-N 402.566 3.698 10 50 HHCA CCN1CCC[C@@H]1CN(Cc1cc(Cl)ccc1O)CC1CCN(CCOC)CC1 19229268 RGJOPSQCDWZHPI-JOCHJYFZSA-N 424.029 3.690 10 50 HHCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc12 22107461 GODCVMGVYPKGMP-UYRXBGFRSA-N 402.475 3.988 10 50 HHCA CC(C)N1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)C1=O 135682512 JRJLYCYGHKJFHH-SLFFLAALSA-N 413.905 3.661 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc1 55576326 YKVOSMKHPGVYJX-HSZRJFAPSA-N 419.569 3.540 10 50 HHCA CC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3ccccc3)C(=O)N=C2S1 4819960 RHZMVJHTIMTHCX-DTRPCSQLSA-N 406.467 3.783 10 50 HHCA O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1cccnc1 33286027 TZWWNLUOUARQEO-AWNIVKPZSA-N 410.307 3.935 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1 55252958 TVLQVZDFTZUNNU-JOCHJYFZSA-N 418.541 3.603 10 50 HHCA CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1O 4725401 APVHUFQWARLKCO-LQFYYXEQSA-N 406.467 3.653 10 50 HHCA COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC 16193339 VIGDOZXVCPVAPB-MFOYZWKCSA-N 415.492 3.834 10 50 HHCA Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2/C=C2\SC(=S)N(C)C2=O)cc1 16212795 PZDIQNLSSOKTDG-BOPFTXTBSA-N 419.549 3.902 10 50 HHCA CCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 2258624 RHUAIAQPNUZEBC-FOWTUZBSSA-N 409.529 3.940 10 50 HHCA COc1ccc(O)c(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 23375547 UEYTVSUHDQVAOW-FQEVSTJZSA-N 414.546 3.557 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(C(C)=O)c4)C3)CC2)cc1 20906795 TUYCMZGYPAETAZ-XMMPIXPASA-N 407.558 3.684 10 50 HHCA COc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC 5092362 DBVORZNOVHHMJF-UHFFFAOYSA-N 417.417 3.740 10 50 HHCA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccccc3O)CC2)c1 15065316 NYRSCYABJKOWFF-UHFFFAOYSA-N 410.514 3.680 10 50 HHCA COC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 1131421 YQEORNLOZLFDEZ-WQRHYEAKSA-N 413.520 3.948 10 50 HHCA CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1 8817401 JATUPGCHDDJPFY-RAXLEYEMSA-N 418.569 3.639 10 50 HHCA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)cc1 13615657 AHPNYWBZDZTGLB-UYRXBGFRSA-N 420.396 3.724 10 50 HHCA COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(C(=O)OC)=C1C 2817373 KSWATSHPDXCZRT-AQTBWJFISA-N 412.461 3.552 10 50 HHCA Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 19925550 VKGNBENPIWSSNL-MTJSOVHGSA-N 405.429 3.993 10 50 HHCA CC[C@H](C)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888104612 HEWAJXCHHODHBL-INIZCTEOSA-N 414.509 3.879 10 50 HHCA COC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCCC2 17083202 WAFOZVVFMMBGIO-UQZDFYISSA-N 405.516 3.879 10 50 HHCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4C(=O)OC)o3)C(=O)N=C2S1 868431 ANNMOUKWNSNRSN-QBILMKHKSA-N 408.439 3.762 10 50 HHCA Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2O)c1 13810365 NHLXCIIGHLIFCK-PDGQHHTCSA-N 416.389 3.824 10 50 HHCA CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCc1ccc(F)cc1 16225215 JXBXRFOYKQDCPV-ODLFYWEKSA-N 414.458 3.910 10 50 HHCA CCOc1ccccc1CN1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO 104458965 PNBHBTKCNIMLQQ-HXUWFJFHSA-N 404.938 3.513 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 245239194 GIEMGXFJMDURAZ-GVAFMPQTSA-N 403.500 3.654 10 50 HHCA Oc1cc2c(cc1CN1CCC[C@H]([C@H](O)c3ccc(Br)cc3)C1)OCO2 1875260269 FBEMMZNEIFRBHD-VBKZILBWSA-N 420.303 3.829 10 50 HHCA COc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 4819235 VRTKTTDTYMFBPB-NTEUORMPSA-N 401.762 3.764 10 50 HHCA COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccc(C)nn4)cc3)CC2)cc1 72446698 CORBBHPTYDRCQC-UHFFFAOYSA-N 404.470 3.548 10 50 HHCA CCN1C(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)SC1=S 6470678 STOFOHUWXGQTRD-SFQUDFHCSA-N 419.549 3.984 10 50 HHCA O=C(NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1cccc(Cl)c1 1227027 VFJPMSODMDNVRA-ZSOIEALJSA-N 419.871 3.794 10 50 HHCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c4ccccc34)C2=O)cc1 1192445 PRNZOAXPJNYVQW-CPNJWEJPSA-N 402.406 3.523 10 50 HHCA CCN1C(=O)/C(=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)SC1=S 6470630 RSGRMMDNTJGMDZ-SFQUDFHCSA-N 419.549 3.984 10 50 HHCA COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCc1ccc(Cl)cc1 2591123 YGHGGZBJOYSRBB-UHFFFAOYSA-N 402.859 3.682 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 13606959 BVFSFYVLCKRKLT-SXGWCWSVSA-N 412.492 3.533 10 50 HHCA Oc1cc2c(cc1CN1CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C1)OCO2 1875260268 FBEMMZNEIFRBHD-JLTOFOAXSA-N 420.303 3.829 10 50 HHCA COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1O 1174870 VZOLOJKYZHNPFU-IZZDOVSWSA-N 421.236 3.682 10 50 HHCA COc1ccc(N2CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1 16945716 HBDFKPPXHIAJCX-UHFFFAOYSA-N 408.527 3.579 10 50 HHCA CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2736193 ZOGREBPWICYTEH-XNTDXEJSSA-N 417.284 3.837 10 50 HHCA CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1 4997656 BFGFNKJQXUMVDP-UHFFFAOYSA-N 407.562 3.827 10 50 HHCA CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 12759199 BFAGVOITVFTVPP-QINSGFPZSA-N 414.556 3.660 10 50 HHCA Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc2n1Cc1cccc(F)c1 1088464 WRPDTCFGNKQVPI-UHFFFAOYSA-N 405.429 3.571 10 50 HHCA COc1ccc(O)c(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 12474358 OGKQVSNXGJVUPM-QGZVFWFLSA-N 400.494 3.849 10 50 HHCA CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cccc(OC)c2O)CC1 12718796 STGLACMQDUDXOT-UHFFFAOYSA-N 401.478 3.928 10 50 HHCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccccc1F 15822387 NYTBUFPHBYHEEE-OWBHPGMISA-N 409.417 3.587 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)C(C(=O)OC)=C2C)cc1 897966 KUGBFSXLFXIDHZ-RGEXLXHISA-N 423.465 3.980 10 50 HHCA CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1O 16183237 SDLKYCBEQOMCTQ-BOPFTXTBSA-N 415.492 3.983 10 50 HHCA COc1ccc(Cl)cc1/C=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N=C1O 2968722 SCVXARVXEVFSGK-RIYZIHGNSA-N 401.762 3.764 10 50 HHCA COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccccc1 16671455 XPEVTLJZABKDHG-LICLKQGHSA-N 415.492 3.560 10 50 HHCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 12428662 TZBRWOWKBPIABI-BOPFTXTBSA-N 408.797 3.760 10 50 HHCA CCCC1=NN2C(=N)/C(=C/c3cc(Br)ccc3OC)C(=O)N=C2S1 4594329 BJIMTVCDLQDYIB-GXGXXEIJSA-N 407.293 3.877 10 50 HHCA Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccs2)C(=O)NC1=S 4738998 UPQSJGDQZGXXGW-XYOKQWHBSA-N 407.314 3.650 10 50 HHCA CCCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500440 DADFJMCVHOTMMY-XMMPIXPASA-N 416.525 3.705 10 50 HHCA O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 408822632 PVEBWCDVOIOAMT-RIYZIHGNSA-N 415.408 3.545 10 50 HHCA COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1Br 1427296 DOBFFZGABNWLLG-GDNBJRDFSA-N 402.244 3.915 10 50 HHCA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2O)n1 653873 WRBGPQTZGJKYAD-AWEZNQCLSA-N 411.443 3.570 10 50 HHCA Cc1ccccc1N1C(=O)/C(=C/c2cccc(OS(C)(=O)=O)c2)SC1=S 3003546 LVZWOHKWJNDBIU-WJDWOHSUSA-N 405.522 3.739 10 50 HHCA CCCOC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1766833 PUHUMFZKCRJXHC-WQLSENKSSA-N 400.319 3.604 10 50 HHCA C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 225707771 LXRFCARZLWLFKT-QFBILLFUSA-N 417.981 3.841 10 50 HHCA O=C1N=C(O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 1204951 UUFSSZHQRKROBO-NTEUORMPSA-N 416.187 3.864 10 50 HHCA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 2520580 RJZLKVMBWRZONA-POKNLVKOSA-N 402.545 3.516 10 50 HHCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)CC1 15239863 GRZYKPWXXSCZEH-RVDMUPIBSA-N 423.332 3.695 10 50 HHCA CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC 15822074 FGDQZTGBGRDDSD-YBEGLDIGSA-N 400.862 3.907 10 50 HHCA Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(I)cc1 23128347 DUJPRNPICIVYJK-RIYZIHGNSA-N 423.279 3.837 10 50 HHCA O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCN(c3ccccc3)CC2)o1 2597180 UWPQMVSYIYHEFX-UHFFFAOYSA-N 422.481 3.750 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2c(c1)OCO2 2285075 STFPOKAPNVHIBJ-OQLLNIDSSA-N 418.521 3.707 10 50 HHCA N=C1S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C(=O)N1c1nccs1 12428587 RJZWEPFYPQHKQE-PUOZGBORSA-N 413.436 3.863 10 50 HHCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)o1 13546440 YVOWNKHYKPDEJW-PDGQHHTCSA-N 417.377 3.830 10 50 HHCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 169689630 FYLKWTHBHOBRNP-WOIUINJBSA-N 405.454 3.894 10 50 HHCA COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 1141103 QQTHHCPELBYUOZ-UHFFFAOYSA-N 420.534 3.777 10 50 HHCA CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)NC1=S 4754360 XJMKSBSFUNPREE-GDNBJRDFSA-N 403.301 3.716 10 50 HHCA O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Br)cc2nc(O)[nH]c12 816939186 WAHLFEOTZBFQMS-UHFFFAOYSA-N 416.275 3.545 10 50 HHCA COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)SC2=S)cc1 15685398 HKZMHQRCZQGVRB-NVNXTCNLSA-N 418.452 3.723 10 50 HHCA O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O 2186165 GYPDCWQLXKGJJV-SEYXRHQNSA-N 421.297 3.766 10 50 HHCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 13543745 JWOUQMGCYIWFOC-PTNGSMBKSA-N 401.513 3.775 10 50 HHCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 16212328 FJNRIQROBQXVSX-PXNMLYILSA-N 424.254 3.592 10 50 HHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 2916122 DZYNWUJDRIPPDQ-RIYZIHGNSA-N 421.703 3.934 10 50 HHCA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 6886426 UFRXRIRIFYSKBH-PDGQHHTCSA-N 417.377 3.830 10 50 HHCA CC(C)[C@H](CNC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O)N1CCCC1 952868608 DCEJUNCVESOKAN-QFIPXVFZSA-N 418.537 3.630 10 50 HHCA CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 1199683 GYEBCVDGOYRISM-AWNIVKPZSA-N 423.227 3.803 10 50 HHCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)cc1C 15821890 PMSNRRWXVPZWRC-XWAFYUISSA-N 408.410 3.662 10 50 HHCA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C(=O)N1c1ccccc1F 136386516 OHQXLPGMIWWSJL-PCCBWWKXSA-N 404.397 3.582 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccn1 1182919 CHOJVHNBAOPCKG-SDNWHVSQSA-N 403.916 3.965 10 50 HHCA CN(C)c1ccc(/C=C/CN2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 12213228 UDHJUDXUWUOIDQ-YXMLYAQVSA-N 423.557 3.802 10 50 HHCA COc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1OC 4725326 BLWQDHVENPPCEZ-HUHIGAQKSA-N 406.467 3.680 10 50 HHCA CCCCN1C(=O)/C(=C/c2c(NCCC)nc3c(C)cccn3c2=O)SC1=S 1801387 FXJGAZQOPGSFBJ-QINSGFPZSA-N 416.572 3.826 10 50 HHCA CN1C(=O)/C(=C\c2ccccc2OCCOCCOc2ccccc2)SC1=S 5103020 QCQVJRTUNMGSIP-XDJHFCHBSA-N 415.536 3.992 10 50 HHCA Fc1cc(CN[C@H]2CCc3nc(-c4ccccc4)cn3C2)ccc1N1CCOCC1 2325707464 BIXRZEGULPMXJC-FQEVSTJZSA-N 406.505 3.630 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 239128765 KTHFHVLRIZBOIV-DVKYCARXSA-N 417.527 3.901 10 50 HHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)s1 1213847 UWXUHQLNUBWDLF-YRNVUSSQSA-N 411.664 3.830 10 50 HHCA CCOC(=O)c1sc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)nc1C 1744727 KMNWPTXGQVVUFY-UHFFFAOYSA-N 422.462 3.946 10 50 HHCA COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1 6645217 WSUWRGGDCJZGKT-FRKPEAEDSA-N 416.436 3.738 10 50 HHCA O=S(=O)(Nc1ccc(O)cc1OC(F)(F)F)c1ccc(C(F)(F)F)nc1 170617702 CKJFVWCUPHQIFY-UHFFFAOYSA-N 402.272 3.505 10 50 HHCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1C 4837043 ZJEXVMOQINXUOF-JAIQZWGSSA-N 414.417 3.695 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S 9296619 VYIFANUQCQAGLC-CXUHLZMHSA-N 419.911 3.922 10 50 HHCA O=C1NC(=O)C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)C(=O)N1 1176336 KNTKDCHNNZXWCF-UHFFFAOYSA-N 406.825 3.822 10 50 HHCA O=C(NCc1ccccn1)C1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 1506401822 LYWGOCBMZORCMP-UHFFFAOYSA-N 418.585 3.568 10 50 HHCA COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(Br)c1OC 1073548 BVQWNUISRBOSLV-UHFFFAOYSA-N 413.264 3.712 10 50 HHCA COc1ccc2[nH]c(=O)c(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)cc2c1 217924421 AWPFNDKKTMYUSJ-UHFFFAOYSA-N 414.377 3.786 10 50 HHCA biogenic CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 245227405 GRMRNUJFJXZTGH-GVAFMPQTSA-N 403.500 3.655 10 50 HHCA Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 15723661 VREHXKPBVVZDDM-UDWIEESQSA-N 416.462 3.773 10 50 HHCA CN1CCc2cc(CNC(=O)c3cc(COc4cccc5cnccc45)on3)ccc21 12434830 KIXKYPJQALDPKY-UHFFFAOYSA-N 414.465 3.724 10 50 HHCA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1 15821943 HVBWMXJFAXKJGL-BGARDKSCSA-N 408.410 3.662 10 50 HHCA O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1Cl 9012726 HNMXQYYOCJSENB-NTEUORMPSA-N 419.871 3.794 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](CC)C2 100507664 AVSFNVCPZFZDDL-HVCLXXKLSA-N 417.527 3.901 10 50 HHCA COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239439057 ZJKRRHWEUHXNHV-GVAFMPQTSA-N 403.500 3.655 10 50 HHCA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)c(C(=O)O)c1OC 217928100 BKAUCMKQCJZYKR-UHFFFAOYSA-N 421.365 3.651 10 50 HHCA biogenic COc1ccc(N2CCN(C(=O)c3cc4c(ccc5ccccc54)oc3=O)CC2)cc1 16552381 CFOUOBRKMXEMPZ-UHFFFAOYSA-N 414.461 3.917 10 50 HHCA CCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 16805419 BTCYUMYSGWPOEC-SEYXRHQNSA-N 411.346 3.797 10 50 HHCA CCCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)cc1 2325719749 OHOAHXRRBZNNPW-QGZVFWFLSA-N 419.566 3.570 10 50 HHCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1 823629 DBIVKUUMGGMKMM-QFIPXVFZSA-N 407.514 3.947 10 50 HHCA CC[C@@H](C)N1C(=O)/C(=C/c2c(C)[nH]c3ccc(Br)cc23)C(=O)NC1=S 1137812 KGJHCEFKCNUJON-MBBDXHFBSA-N 420.332 3.664 10 50 HHCA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1O 15837491 FWUAELYCXUJHCU-ZROIWOOFSA-N 414.845 3.673 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 169689760 SZFXIWSPFITWIU-APCWTUGXSA-N 403.500 3.511 10 50 HHCA CSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 683354 SUXFNINFUNMFPI-FQEVSTJZSA-N 407.499 3.771 10 50 HHCA CC(C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500551 HYEKHTNCTNOFLI-XMMPIXPASA-N 416.525 3.703 10 50 HHCA COc1ccc(N2CCN(S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)CC2)cc1 4744815 LLGNRNKTMFDLCB-UHFFFAOYSA-N 418.559 3.647 10 50 HHCA CCCCN1C(=O)[C@@H]2[C@@H](ON(c3ccccc3C)[C@H]2c2ccc(N(C)C)cc2)C1=O 135634048 UUVFPIFGOGYEQR-FDFHNCONSA-N 407.514 3.708 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 239339220 LWEQYPUQHXGNHP-GVAFMPQTSA-N 403.500 3.655 10 50 HHCA CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC 15219901 CYNQAEPMSKIHFK-AQTBWJFISA-N 424.453 3.549 10 50 HHCA COc1cccc(O)c1CN1CCC[C@@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 11664185 OBFBIQCKTGQGSR-QGZVFWFLSA-N 406.486 3.642 10 50 HHCA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC 77387088 WSPKAVWMKGNYJO-HNNXBMFYSA-N 418.921 3.705 10 50 HHCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cc2ccccc2[nH]c1=O 100147413 QOMPWXBJYIGNBR-OQLLNIDSSA-N 407.813 3.686 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 169689771 AVSFNVCPZFZDDL-DVKYCARXSA-N 417.527 3.901 10 50 HHCA O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(O)c1 16156604 STFNDYHEZWIHTI-STZFKDTASA-N 414.417 3.638 10 50 HHCA CCOc1ccccc1CN1CCN(Cc2cc(Br)ccc2O)CC1 19361428 JUUJHFBEOZZKAQ-UHFFFAOYSA-N 405.336 3.871 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 245239195 GIEMGXFJMDURAZ-YXAMBPQSSA-N 403.500 3.654 10 50 HHCA CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 20025486 USTDPTLSNNQDGT-AJUKGGFZSA-N 408.439 3.920 10 50 HHCA COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1CCCO)c(C)n2C 5049979 FJJOGJZEPMRFJP-ZRDIBKRKSA-N 403.482 3.758 10 50 HHCA CC(C)OC(=O)c1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 6238143 LNGBREZUXRVXSU-UHFFFAOYSA-N 406.394 3.622 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17083190 FAYYDKAQHIXEFZ-INCPQMAJSA-N 405.516 3.879 10 50 HHCA CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 2948376 ODQNXRHZLNPQLE-OAHLLOKOSA-N 424.522 3.572 10 50 HHCA CN(Cc1cscn1)C(=O)[C@H]1CC12CCN(Cc1cc(Cl)ccc1O)CC2 11872751 CCIGVKCNZFPMIR-QGZVFWFLSA-N 405.951 3.763 10 50 HHCA COc1ccc(O)c(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 12474352 OGKQVSNXGJVUPM-KRWDZBQOSA-N 400.494 3.849 10 50 HHCA N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 15822733 IOHMGBKCJFYWCZ-DGEMMVCDSA-N 409.176 3.880 10 50 HHCA CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)NC1=S 9295848 ZMVVFWIGKGZWNX-DHDCSXOGSA-N 421.291 3.855 10 50 HHCA N=C1/C(=C\c2ccc(OC(=O)c3cccs3)c(Cl)c2)C(=O)N=C2SC=NN12 9553911 BUNVQCQZODGHLV-MAKGGSPHSA-N 416.871 3.870 10 50 HHCA COc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 13898140 TVPHQQUKLVUFRM-QGOAFFKASA-N 401.509 3.984 10 50 HHCA CCn1c(/C=C/c2cccnc2)nc2ccc(I)cc2c1=O 4906157 YXBXCYPMYBPQHU-VMPITWQZSA-N 403.223 3.586 10 50 HHCA O=C1C(CC[S@](=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1 100004233 MBGGBVCUIVRRBF-GDLZYMKVSA-N 404.491 3.796 10 50 HHCA world Cc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1 944472 DPTYIVMAPDAPIM-UHFFFAOYSA-N 403.481 3.831 10 50 HHCA COc1ccccc1C1=N/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)O1 975442 DATHBCMIRGRYKE-PTNGSMBKSA-N 401.260 3.868 10 50 HHCA CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)cc1 666544 BDZPBHRUOBLCRC-FQEVSTJZSA-N 410.543 3.583 10 50 HHCA CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2c(O)cccc2OC)CC1 15074617 SOEVXPWCPABAPR-UHFFFAOYSA-N 401.478 3.928 10 50 HHCA CN1CCC(N2CCC(CN(Cc3ccncc3)Cc3ccccc3O)CC2)CC1 12304617 LCBPKZMRZLHAPP-UHFFFAOYSA-N 408.590 3.596 10 50 HHCA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)c3ccccc3C(=O)[C@H]12 104291901 VOPXBRBTYQNZFZ-UIHHKEIPSA-N 422.091 3.959 10 50 HHCA O=C(COc1ccc(F)cc1)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 115976152 SMBJEKFLONGRSU-AWEZNQCLSA-N 412.383 3.746 10 50 HHCA COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 16225436 LXTFAHBNDNREFA-VGOFMYFVSA-N 421.814 3.508 10 50 HHCA C[C@H](NC(=O)N(C)Cc1cccc2cc[nH]c12)c1ccc(N2CCN(C)CC2)c(F)c1 2325738168 PPUBXAHFQVSMIM-KRWDZBQOSA-N 423.536 3.961 10 50 HHCA O=C(C(=O)c1cc(Br)ccc1O)c1cc(Br)ccc1O 1683334 AAOYLOCWJSLLJU-UHFFFAOYSA-N 400.022 3.688 10 50 HHCA Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C 15837422 LQTXFBVGLTZZKS-WCSRMQSCSA-N 408.310 3.780 10 50 HHCA CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 1153558 BWBWOIMRKKVSTB-HNEYUBDGSA-N 412.417 3.678 10 50 HHCA Cc1cc(/C=C2/C(=O)NC(=S)N=C2O)c(C)n1-c1ccc(Br)cc1 8743124 GNVZSEFBOCCFRW-UHFFFAOYSA-N 404.289 3.611 10 50 HHCA COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c4ccccc34)C(=O)NC2=S)cc1 22107466 BRHJVXBLNPHCFF-UYRXBGFRSA-N 418.474 3.688 10 50 HHCA O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncoc1-c1ccccc1Cl 170640176 OTQKJRLHZDGUMV-UHFFFAOYSA-N 415.852 3.901 10 50 HHCA O[C@H](c1cccs1)C1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 952988644 RDWRWBOONOPZMT-QFIPXVFZSA-N 400.544 3.891 10 50 HHCA CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1189087 XIWBDZMJZBNFHY-GOSISDBHSA-N 400.935 3.838 10 50 HHCA CCOCc1cc(CNC[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)ccc1OC 19744955 YXXFEFCXBIQHGI-LJFZDNNRSA-N 416.537 3.514 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 100686677 RLSOPXMBRGJTNT-RKLWJJNISA-N 405.516 3.878 10 50 HHCA O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccc(Br)cc3)[nH]c21 9036390 ICCVIYJQQWFGSJ-UHFFFAOYSA-N 419.234 3.857 10 50 HHCA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccc(OC)c2O)CC1 12386721 ZRTSDOXTEQTCCP-UHFFFAOYSA-N 413.514 3.797 10 50 HHCA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2 1061760 VHJABYDVKVNFNH-UXBLZVDNSA-N 421.261 3.553 10 50 HHCA CCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 16212927 JUPCZLOSOBNSMD-ZCXUNETKSA-N 410.520 3.833 10 50 HHCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)C2=O)cc1 1162737 GASXQRAZNXZTKO-KGENOOAVSA-N 414.465 3.718 10 50 HHCA Cc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 9186336 UVQMSHDTHQEJNE-VOTSOKGWSA-N 420.347 3.980 10 50 HHCA O=C1N=C(O)/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1 2990328 NJNRBBBYWLOMST-UKTHLTGXSA-N 416.187 3.864 10 50 HHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(=O)OC)C1 239248035 XXEHSBZPOHEQAK-APCWTUGXSA-N 403.500 3.511 10 50 HHCA CC(C)[C@@H](CNC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O)N1CCCC1 952868606 DCEJUNCVESOKAN-JOCHJYFZSA-N 418.537 3.630 10 50 HHCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1 15799912 QTSFUNODWUNXNJ-ATVHPVEESA-N 413.524 3.710 10 50 HHCA CC[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1O 1875257684 DDUCZZJTHADSPU-HXUWFJFHSA-N 404.470 3.990 10 50 HHCA CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 1124768 MMHCCRPMINXKCZ-SDNWHVSQSA-N 400.887 3.878 10 50 HHCA CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)cc1 1148867 GSIJDNLJXPDXKZ-SFHVURJKSA-N 422.348 3.626 10 50 HHCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(Br)c3)S2)CC1 2825624 USDNVPLJONURQX-PTNGSMBKSA-N 423.332 3.695 10 50 HHCA CCCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC 2966134 XEYNDNPTQYTYLZ-QGOAFFKASA-N 408.454 3.536 10 50 HHCA COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 4820786 BXNJULXNTXEXDF-UHFFFAOYSA-N 410.257 3.873 10 50 HHCA CC[C@@H](C)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888104613 HEWAJXCHHODHBL-MRXNPFEDSA-N 414.509 3.879 10 50 HHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 1196450 RDPHMZXIGRUCLB-YRNVUSSQSA-N 411.664 3.527 10 50 HHCA COc1ccc(-c2nc(COC(=O)CCOc3ccc(N)cc3)cs2)cc1OC 253426727 APZDDDJTOQGFEO-UHFFFAOYSA-N 414.483 3.922 10 50 HHCA COc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 2977441 LJAOSAXMQJBUJS-AQTBWJFISA-N 401.509 3.984 10 50 HHCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 15723399 UKMFLVXYOMELAW-NTUHNPAUSA-N 421.236 3.677 10 50 HHCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 4818885 HDUKZLOZLRBSPW-PDGQHHTCSA-N 408.801 3.500 10 50 HHCA COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1OC(C)C 660531 YAURVHOLBKCTLV-FOWTUZBSSA-N 410.495 3.622 10 50 HHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(O)ccc4ccccc34)C2=O)cc1 19770528 GIRVJGVCYQBHTO-UYRXBGFRSA-N 402.406 3.611 10 50 HHCA Cc1c(N2C(=O)/C(=C\c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 4578312 JGNCCUSKEAIIIH-RVDMUPIBSA-N 413.549 3.952 10 50 HHCA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 8664053 IPCIQUOLZIKGAF-YBFXNURJSA-N 421.478 3.852 10 50 HHCA Oc1ccc(-c2ncccn2)cc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1 20779742 DUOROWWKHFUCFJ-UHFFFAOYSA-N 404.558 3.792 10 50 HHCA COc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1Cn1cccn1 19226775 OMZJMZFUIPWPHW-NRFANRHFSA-N 414.513 3.688 10 50 HHCA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCCC1 888104742 KFNKJQAFDRZKNT-UHFFFAOYSA-N 412.493 3.587 10 50 HHCA CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OCC(=O)O 13914990 ANIYWSHFAAXLBD-SXGWCWSVSA-N 404.344 3.975 10 50 HHCA COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 1238392 VZFNXKVFJNHMDW-BOPFTXTBSA-N 415.492 3.896 10 50 HHCA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 1131093 BDNPXGFQXFBGET-VZWMTCDZSA-N 402.447 3.831 10 50 HHCA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1175753 YJEAPFWLHGWJPO-ATVHPVEESA-N 409.398 3.649 10 50 HHCA COc1ccc(CCN2C(=O)/C(=C3\C(=O)Nc4c(C)cccc43)SC2=S)cc1 4722208 LRNXEVVZDWATGR-FBMGVBCBSA-N 410.520 3.770 10 50 HHCA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 5835550 COHIEJLWRGREHV-YTRUQHMWSA-N 400.319 3.760 10 50 HHCA in-vitro CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)c2C(=O)OC)C1 239046386 FPUNATGJXAZBLG-DVKYCARXSA-N 417.527 3.901 10 50 HHCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 15010278 SCBSDEJIGJTPBR-PKNBQFBNSA-N 407.278 3.833 10 50 HHCA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)cc1 1203275 ZAYQGYOQVUVQFZ-RIYZIHGNSA-N 421.703 3.934 10 50 HHCA Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cccc([N+](=O)[O-])c4)C(=O)N=C3S2)c1 16264934 WQZCNKGDVNDMQB-VGZNWPKRSA-N 421.438 3.601 10 50 HHCA c1cc(-c2nc(CCNC3CCN(c4ccc5c(c4)OCO5)CC3)cs2)ccn1 1506399121 KARMESKMZNJLAG-UHFFFAOYSA-N 408.527 3.735 10 50 HHCA N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN12 4524368 UYEOJDFXCVTKAQ-FIMHLPJISA-N 401.451 3.866 10 50 HHCA O=C1N=C(Nc2ccc(O)cc2)S/C1=C1/C(=O)Nc2ccc(Br)cc21 944794 YPGNQEYURCOWNC-BUHFOSPRSA-N 416.256 3.559 10 50 HHCA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(N(C)C)cc2)N2C(=O)CSC2=N1 1124668 YIBRHLPSZOLTJH-OAQYLSRUSA-N 420.538 3.960 10 50 HHCA CN(C)c1ccc(/C=C/CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1 14990521 ANPFMFOWQIPSPK-RMKNXTFCSA-N 401.558 3.701 10 50 HHCA O=C1/C(=C/Nc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1 100400250 DAKMILXMWHVWTE-NTEUORMPSA-N 421.291 3.764 10 50 HHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)c2C(=O)OC)C1 239046388 FPUNATGJXAZBLG-WCGFVAAJSA-N 417.527 3.901 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1C[C@H](C)CC2 239309003 HCYWBISQVXIIPQ-HVCLXXKLSA-N 417.527 3.901 10 50 HHCA CC(C)CNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971223 GTNMXCVETGHFIL-DEOSSOPVSA-N 416.525 3.560 10 50 HHCA CCOC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c(Cl)c1 1278861731 MVLLPEWNPZLYSK-OAHLLOKOSA-N 417.893 3.926 10 50 HHCA CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 8763408 DBOXGNDYMJFDSO-NCPSJORJSA-N 418.452 3.919 10 50 HHCA COc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc(OC)c1OC 13482126 BZRKCCCJQGQZNS-WJDWOHSUSA-N 402.497 3.941 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17083189 FAYYDKAQHIXEFZ-TUHYSUIHSA-N 405.516 3.879 10 50 HHCA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cc(Br)ccc1O)C2=O 19320129 XOAWCMBYCSAJIM-UHFFFAOYSA-N 407.352 3.652 10 50 HHCA biogenic Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 1875354296 UCVJJXOVVGPQPE-IAGOWNOFSA-N 412.486 3.629 10 50 HHCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 20109800 BBSJHYDAAANYDE-QGZVFWFLSA-N 411.329 3.564 10 50 HHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 2916663 XEWCDKUICJDGJJ-MDWZMJQESA-N 407.278 3.833 10 50 HHCA CCn1c2c(c3cc(C(=O)N[C@H]4COc5c(cccc5OC)C4)ccc31)CCCC2=O 824804766 KTSDXOPLRBNTBT-QGZVFWFLSA-N 418.493 3.922 10 50 HHCA CCN(CC)Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1O 3106225 LDXVJJPXCCUCKG-UHFFFAOYSA-N 402.407 3.611 10 50 HHCA O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1cccnc1 19800783 QRCFJGBBYVJWBL-NTUHNPAUSA-N 410.307 3.935 10 50 HHCA COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2 101392299 RMGYGYBIBZRJDX-APYUEPQZSA-N 403.500 3.655 10 50 HHCA CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(I)cc2)C(=O)O1 1405983 WZZMYVCLEQHLPD-UHFFFAOYSA-N 400.212 3.537 10 50 HHCA O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 669793 YKXHCUHLEQQJBE-UHFFFAOYSA-N 424.450 3.566 10 50 HHCA COc1ccc(OCc2ccccc2F)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 1121928 WYUFXCNGUPOFCP-XSFVSMFZSA-N 418.424 3.875 10 50 HHCA Nc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1 1857526912 NGYZSXBSBWBRSR-QURGRASLSA-N 412.427 3.889 10 50 HHCA CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc(C)cs3)C2=O)cc1 1772020 FRLGQAZTKRFJMY-ZSOIEALJSA-N 419.553 3.690 10 50 HHCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 998652 AVXHJGQGTSXHFP-UHFFFAOYSA-N 420.487 3.736 10 50 HHCA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 1133440 JZCYQSCPJZTYBP-LKBVRNOZSA-N 415.423 3.551 10 50 HHCA COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1 967105 PXTOHAYEDIHZAY-LICLKQGHSA-N 415.492 3.560 10 50 HHCA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cc(Br)ccc2O)NC(=O)N1 4174237 APBIGOKUUFWDRF-KRWDZBQOSA-N 416.275 3.730 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCc4cccs4)C3)CC2)cc1 55576286 BGTNZAJLMABECY-FQEVSTJZSA-N 413.587 3.503 10 50 HHCA COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)ccc1O 1202455 XMHNOIPFJHKMDQ-MDWZMJQESA-N 417.215 3.670 10 50 HHCA Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S 1219210 IUEFAURGOYWVMO-XDHOZWIPSA-N 416.506 3.629 10 50 HHCA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 12614815 JUGYMDGUHVEKBP-GDNBJRDFSA-N 416.572 3.682 10 50 HHCA Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1C 1194343 SQNZSJFUVRJCCH-OQLLNIDSSA-N 402.248 3.911 10 50 HHCA Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4ccc(C)o4)SC3=S)CC2)c1 19798811 TUGXCLNXYWIKJF-UYRXBGFRSA-N 413.568 3.877 10 50 HHCA COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 2977849 HPMMPUJBWURXAE-AQTBWJFISA-N 401.509 3.984 10 50 HHCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)C(=O)NC2=S)c1 1204526 JDXHIHZSQYWTJI-UDWIEESQSA-N 424.522 3.951 10 50 HHCA Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N(c4ccccc4)O[C@H]3C2=O)c1 229945964 LHCMQUIDDUZMNR-BHDDXSALSA-N 400.434 3.752 10 50 HHCA CC(C)CN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S 1112023 KUGNMRVYJAGBDH-SDQBBNPISA-N 419.309 3.854 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 245227525 IPWOJINDHICCPA-YXAMBPQSSA-N 403.500 3.654 10 50 HHCA COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)c1 1203090 XZEKMADIXHRQMG-SFQUDFHCSA-N 414.508 3.631 10 50 HHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 15010280 BPCXNICOOWQJGC-FMIVXFBMSA-N 407.278 3.833 10 50 HHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 1092435 FKRWZUSLCQXBSZ-FOWTUZBSSA-N 415.902 3.755 10 50 HHCA CN(C)c1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1269256 VQXXDNHRQJJNBS-CLEQQJOVSA-N 412.536 3.650 10 50 HHCA O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)o2)cc1 13689237 ZKFQMGOPDBURNC-YBEGLDIGSA-N 406.350 3.740 10 50 HHCA O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)cc(F)c1O 242339056 ZENZGZKPGXAEPI-UHFFFAOYSA-N 411.455 3.681 10 50 HHCA COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC(C)C 1160656 VXGSDCAFXSXBSQ-LDADJPATSA-N 424.522 3.931 10 50 HHCA Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 1203312 XQWOOZXNZDXKIA-OQLLNIDSSA-N 401.285 3.589 10 50 HHCA O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13940208 MJWFJHPMYDZYEC-ATVHPVEESA-N 409.398 3.649 10 50 HHCA CC(C)C[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 217653028 PPBDTMYBEGSWSJ-LLVKDONJSA-N 412.394 3.721 10 50 HHCA biogenic CCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1O 2470713 QWMIXYRWNTWEND-LJQANCHMSA-N 409.398 3.583 10 50 HHCA CCCCN1C(=O)/C(=C\c2c(NCCC)nc3c(C)cccn3c2=O)SC1=S 5847252 FXJGAZQOPGSFBJ-NTCAYCPXSA-N 416.572 3.826 10 50 HHCA COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 1218757 ONKCKRXQSTYFQX-PTNGSMBKSA-N 404.538 3.987 10 50 HHCA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)c3ccccc3C(=O)[C@@H]12 101049606 VOPXBRBTYQNZFZ-DEQYAXRXSA-N 422.091 3.959 10 50 HHCA Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1151302 FGPYPUOFRIJDHI-CPNJWEJPSA-N 409.873 3.915 10 50 HHCA COC(=O)/C=C/c1ccc(N(CCc2ccccn2)Cc2cccnc2)c([N+](=O)[O-])c1 225479495 CBLLILKFEXKNKT-CSKARUKUSA-N 418.453 3.820 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)CC2)cc1 55576328 YKVOSMKHPGVYJX-QHCPKHFHSA-N 419.569 3.540 10 50 HHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 1150876 FFMVABBDKXQJPS-LDADJPATSA-N 409.804 3.936 10 50 HHCA COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c(OC)c1 26771445 QLPGPHPPKQZNJY-BRVCPTFNSA-N 415.492 3.731 10 50 HHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 1083912 CHNJHBXARVFBFQ-HKWRFOASSA-N 407.470 3.598 10 50 HHCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1[N+](=O)[O-] 5175298 AGRYNFABVLDUTO-VBKFSLOCSA-N 413.480 3.825 10 50 HHCA CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 1154286 FMPLIHIUSJOGSU-BRFSQIRFSA-N 408.454 3.847 10 50 HHCA COc1ccccc1OCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O 15769103 PMIRNFPWPXIJTA-QGOAFFKASA-N 401.509 3.984 10 50 HHCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)cc1OC 1166561 IUXHAWCLOCQLTD-VBKFSLOCSA-N 422.572 3.600 10 50 HHCA COC(=O)C1=CN(c2cc(C)c(Cl)cc2OC)c2ccc(F)cc2S1(=O)=O 263616448 ISVWHMODPJYSSI-UHFFFAOYSA-N 411.838 3.736 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CCc4cccs4)C3)CC2)cc1 55576285 BGTNZAJLMABECY-HXUWFJFHSA-N 413.587 3.503 10 50 HHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 4567913 RLUTXHNLZIYJRF-PDGQHHTCSA-N 411.914 3.772 10 50 HHCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)o1 15724157 LSQLVQUZNILFGC-WQRHYEAKSA-N 407.357 3.764 10 50 HHCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)C(=O)NC1=S 1173783 LDKKWOYFTNNKKR-GXDHUFHOSA-N 400.887 3.742 10 50 HHCA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)c(OC)c1OC 217840146 IJYZGTGTKHJWDP-UHFFFAOYSA-N 407.382 3.961 10 50 HHCA biogenic COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1O 1180342 IFVABRNXQNWUAS-JXMROGBWSA-N 423.277 3.539 10 50 HHCA O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3cccc4cccnc34)ccc21 3832807 MEYQDWAOCLDIAW-UHFFFAOYSA-N 414.442 3.811 10 50 HHCA biogenic CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 100640421 QERIVNSKODKBSH-RKLWJJNISA-N 403.500 3.655 10 50 HHCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c1 1174680 KTBMGTDXKTYFSJ-RCCKNPSSSA-N 414.465 3.518 10 50 HHCA CC/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCOCC1 1210462 WSOBZMIJPUBMNX-OWBHPGMISA-N 410.421 3.558 10 50 HHCA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1777505 DEQNOYXJSYQWSX-UHFFFAOYSA-N 404.378 3.921 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(C(C)=O)c4)C3)CC2)cc1 20906797 TUYCMZGYPAETAZ-DEOSSOPVSA-N 407.558 3.684 10 50 HHCA O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 1232932 VMBXKJCIFLCWNO-UHFFFAOYSA-N 422.915 3.942 10 50 HHCA CCCSc1ncc(Cl)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 4759728 QVSQOGAZVDAKKL-UHFFFAOYSA-N 406.939 3.603 10 50 HHCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c12 252497278 QCVQAPLOQHDKLS-UHFFFAOYSA-N 408.376 3.642 10 50 HHCA CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)NC1=S 9295899 ZADWKTJGIRGMQP-DHDCSXOGSA-N 421.291 3.855 10 50 HHCA COc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(O)c1 15069507 MEYXHWNJDZTDEE-UHFFFAOYSA-N 406.486 3.687 10 50 HHCA CCCCN1C(=O)[C@@H]2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 238937264 UUVFPIFGOGYEQR-BHIFYINESA-N 407.514 3.708 10 50 HHCA CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCOC)C1=O 2953481 PGIIEAKUEUUMFG-LCYFTJDESA-N 402.335 3.695 10 50 HHCA COc1ccc(/C=C2\SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 334160675 JQYSLHUWSRFNPI-SXGWCWSVSA-N 401.469 3.874 10 50 HHCA COC(=O)c1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1 1197262 QWZHHNVRSANILJ-OQLLNIDSSA-N 400.843 3.798 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S 2834824 BRPWEXKPDANQEO-CXUHLZMHSA-N 403.456 3.691 10 50 HHCA CCOC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c(Cl)c1 1278861730 MVLLPEWNPZLYSK-HNNXBMFYSA-N 417.893 3.926 10 50 HHCA Cc1noc2nc(-c3cc(F)ccc3F)cc(C(=O)NCc3ccc(O)c(O)c3)c12 2325727914 OILNFJDYSUCHFV-UHFFFAOYSA-N 411.364 3.818 10 50 HHCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1OC(C)=O 16267729 YBKLSXPWQHVFKU-SXGWCWSVSA-N 419.480 3.624 10 50 HHCA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1192071 HAOZGAHRNIGLPB-GOSISDBHSA-N 400.935 3.838 10 50 HHCA CCOc1cccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1O 20535709 NOZAOSYNIJUSTA-JOCHJYFZSA-N 413.537 3.717 10 50 HHCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2301546 BSWHVXJPEOAUBZ-MHWRWJLKSA-N 424.254 3.905 10 50 HHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O 1186424 YBAOFRIMVXDBLE-OVCLIPMQSA-N 414.845 3.728 10 50 HHCA CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8763409 RKFBRMJYSGVVEY-NCPSJORJSA-N 418.452 3.919 10 50 HHCA COc1ccc(N2CCC(NCc3c(Cl)cccc3N3CCOCC3)CC2)cc1 240225419 DHRPUIWJGHVVEC-UHFFFAOYSA-N 415.965 3.944 10 50 HHCA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(Cc4cccnc4)CC3)c12 253409949 MQWRKIPTKFNJPO-UHFFFAOYSA-N 417.465 3.675 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 15799904 ACEILIVIKFZEJM-YBEGLDIGSA-N 412.492 3.533 10 50 HHCA COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1O)N(C(C)=O)CC2 756371 ZTMCRWWNUVNGBH-LJQANCHMSA-N 406.276 3.666 10 50 HHCA O=S(=O)(Nc1ccc(O)cc1OC(F)(F)F)c1ccccc1OC(F)(F)F 225697811 WXUWAGGKUPFMQD-UHFFFAOYSA-N 417.283 3.990 10 50 HHCA COC(=O)[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1O 170600549 LUMIVYSLJWLAQM-JOCHJYFZSA-N 405.450 3.529 10 50 HHCA CS(=O)(=O)Oc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 16192795 AYYNTQUZWJFVCN-GDNBJRDFSA-N 409.485 3.570 10 50 HHCA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 1173318 YNRBVRVABJWKMJ-HMMYKYKNSA-N 401.422 3.542 10 50 HHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)s3)C2=O)cc1C 1186434 YBKSJGMNURPRDN-MDWZMJQESA-N 405.273 3.794 10 50 HHCA Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(F)cc2)C(=O)NC1=S 1203544 GBJGJANJUQTIGA-NTEUORMPSA-N 419.275 3.728 10 50 HHCA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 4599105 IKMWTJGTIQSSES-LICLKQGHSA-N 402.447 3.833 10 50 HHCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 22780723 SYZVESMDVBMJHB-HKWRFOASSA-N 424.460 3.620 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(C(=O)O)c1 12562257 IITYTQXOHMKKQJ-GXDHUFHOSA-N 418.521 3.676 10 50 HHCA COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1O 4833035 GGUQIAVQEBFMIC-UHFFFAOYSA-N 414.417 3.984 10 50 HHCA CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 1227097 WGPADDOYDPUHBT-YBEGLDIGSA-N 417.943 3.952 10 50 HHCA COc1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 6371390 GSXFRQLILYFQDY-BKUYFWCQSA-N 401.491 3.873 10 50 HHCA Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)c(C)c1 16183001 IFQCXJKYUDZWJY-UDWIEESQSA-N 417.465 3.966 10 50 HHCA COc1cccc(C(=O)[C@H]2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 39413127 XXULDPCLMYZXSD-IBGZPJMESA-N 422.525 3.988 10 50 HHCA O=C1N=C(O)/C(=C\c2cccc(Br)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 15836160 YFCOZORGTQHFHB-RIYZIHGNSA-N 416.187 3.864 10 50 HHCA COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccs1 657263 BFMAWHZASOBYHU-LGMDPLHJSA-N 413.495 3.681 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(C)s3)C2=O)cc1 17122560 VEOPWHNAZQMVTQ-UVTDQMKNSA-N 418.569 3.775 10 50 HHCA CCCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775970807 DADFJMCVHOTMMY-DEOSSOPVSA-N 416.525 3.705 10 50 HHCA COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(Br)c1OCC(C)C 1111825 CQHWRENIXZFULR-UHFFFAOYSA-N 413.264 3.712 10 50 HHCA N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC=NN12 4644059 GEKGRLFTRWJTSP-NFFPZGGSSA-N 401.245 3.958 10 50 HHCA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2O)C1 12279230 JLUQIMWRAGWRPG-IBGZPJMESA-N 410.514 3.868 10 50 HHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OC)c1O 17299762 RLPCGRKFMJJHBV-AQTBWJFISA-N 409.438 3.677 10 50 HHCA COc1ccc(N/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)cc1 91270661 QBALWALXEXFCCR-XNTDXEJSSA-N 406.320 3.864 10 50 HHCA COc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(O)=NC2=S)c1 1197572 YCIVFDHHDGUSFT-LVVPDBGKSA-N 409.423 3.831 10 50 HHCA COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC 1213648 QYUDBINKJVWMOI-OVCLIPMQSA-N 414.845 3.640 10 50 HHCA CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(C)cc2)C1=O 16671933 PBJICJAEBJVOFX-WJDWOHSUSA-N 401.260 3.618 10 50 HHCA COc1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c([N+](=O)[O-])c1 4741152 LOEOWYNWSUKXHL-UHFFFAOYSA-N 413.518 3.859 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)CC2)cc1 22851614 WPNHLSIMHNXMHF-HXUWFJFHSA-N 401.501 3.760 10 50 HHCA O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2 653704 CXPAHVAZQAEBIG-VZUCSPMQSA-N 421.261 3.553 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)NC2=S)cc1 1195326 BNCRQFBOSQNATA-XNTDXEJSSA-N 401.285 3.589 10 50 HHCA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 5092211 VTKBTOCQALCKPU-LDADJPATSA-N 409.804 3.936 10 50 HHCA CCN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2cc(Br)ccc21 16805415 XTPMNHZXGJNZFO-SEYXRHQNSA-N 411.346 3.795 10 50 HHCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c(C)c1 1192679 ITRXKDLGLGSODR-XSFVSMFZSA-N 403.482 3.878 10 50 HHCA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2ccccc2O)CN1Cc1cccc(Cl)c1 20451989 PKDHLXLFRINCEW-RTWAWAEBSA-N 415.965 3.647 10 50 HHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1O 1176469 ZZTGLCLOPSQQAH-RIYZIHGNSA-N 414.845 3.728 10 50 HHCA CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 8735638 DPMHMFIRRRVEIX-PKNBQFBNSA-N 424.598 3.782 10 50 HHCA CCOc1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 4289697 AMCIQYRFIPRTKL-UHFFFAOYSA-N 407.447 3.662 10 50 HHCA Cc1cc(C(=O)NS(=O)(=O)c2cccc3cccnc23)c(C)n1-c1ccc(F)cc1 1875344341 CPORAPWKNOBSGH-UHFFFAOYSA-N 423.469 3.900 10 50 HHCA COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)cc1 20109686 YXWLUFJYUXOUAJ-NAMDQGSHSA-N 404.595 3.656 10 50 HHCA COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 1197505 HFXHAYJOZMYYIR-CPNJWEJPSA-N 402.475 3.988 10 50 HHCA CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)SC1=S 6470591 NOPNLFFOPXBOEW-SFQUDFHCSA-N 419.549 3.984 10 50 HHCA Oc1ccc(Cl)cc1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 23375069 XQYGSPWTMYUSTE-NRFANRHFSA-N 403.929 3.971 10 50 HHCA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(Cl)ccc2O)CC1 12314834 XAWXLYBIUBJQSI-FQEVSTJZSA-N 407.986 3.638 10 50 HHCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1 1198003 JJACNKUPQDIRNF-UHFFFAOYSA-N 412.210 3.916 10 50 HHCA CCN1C(=O)C(=Cc2cccn2-c2ccc(C)c(Cl)c2)C(=O)N(CC)C1=S 661005 CKULXNFYJTYBST-UHFFFAOYSA-N 401.919 3.818 10 50 HHCA COc1ccc(N2C(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(O)=NC2=S)cc1 15659368 HIDMRGKPCRILQV-ZGCWVLQWSA-N 409.423 3.831 10 50 HHCA COc1cc([N+](=O)[O-])cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O 23281011 DPAGIUNCYBAJHE-UHFFFAOYSA-N 411.380 3.650 10 50 HHCA Nc1ccccc1NC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 5557348 DMAZZTJDLGXUER-UHFFFAOYSA-N 414.490 3.930 10 50 HHCA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Cl)nc12 13564517 CVUPONFTHMHUSK-JYRVWZFOSA-N 417.899 3.651 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1C[C@@H](C)CC2 138715094 DRIVUZOCVWJTKJ-GWIBLVFBSA-N 403.500 3.511 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239309549 HRLXEJZZCIFVET-GVAFMPQTSA-N 405.516 3.879 10 50 HHCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)o1 16266786 BYELBXGMVBRIKL-PDGQHHTCSA-N 419.393 3.633 10 50 HHCA COc1cccc2sc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)nc12 1775986218 FCRMCVOIXXPJIH-UHFFFAOYSA-N 412.515 3.805 10 50 HHCA O=C1N=C(O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1 1890312 GCSTYFJRMBIMSU-UHFFFAOYSA-N 403.803 3.989 10 50 HHCA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Br)c2)ccc1Cl 4973908 KAYRZSCFXGUCBX-UHFFFAOYSA-N 407.629 3.517 10 50 HHCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NC1CC(C)(C)NC(C)(C)C1 100163388 XNMSTRKGDGAZLH-NBVRZTHBSA-N 413.522 3.880 10 50 HHCA COc1ccc(N2CC3(CN(C(=O)C4(c5ccc(OC)cc5)CCCC4)C3)C2)cc1 2100482746 VYMQLVJGKNEXGH-UHFFFAOYSA-N 406.526 3.864 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)/C=C/c4cccs4)C3)CC2)cc1 55368904 URHQWFWNDOWJSO-CFGKVWFZSA-N 411.571 3.583 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)CC2)cc1 55568661 KRJFBFCJZLWECQ-LJQANCHMSA-N 413.949 3.775 10 50 HHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 1207993 PZBOZIJPSAUEGF-CPNJWEJPSA-N 407.470 3.516 10 50 HHCA CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1[N+](=O)[O-] 4981538 KCWVLKRVPIGXFF-NTEUORMPSA-N 414.805 3.821 10 50 HHCA Oc1ccc(Br)cc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 19358967 WYIWAOUWVGWMTF-UHFFFAOYSA-N 400.320 3.954 10 50 HHCA CN(C)c1ccc(CN2CCN(CC(=O)NC3CCC(C(C)(C)C)CC3)CC2)cc1 22751995 IGKAFBMBOILIRM-UHFFFAOYSA-N 414.638 3.591 10 50 HHCA Cc1cc(C(=O)COC(=O)c2nnc(O)c3ccccc23)c(C)n1-c1ccc(F)cc1 745883940 WRAQVZBFOWVDLR-UHFFFAOYSA-N 419.412 3.922 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S 1063042 KMCNDFPEDGPVEJ-CXUHLZMHSA-N 403.456 3.691 10 50 HHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Br 1213677 HGVPEOOKAQMSQV-UKTHLTGXSA-N 405.635 3.769 10 50 HHCA COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc4c(c3)-c3ccccc3C4)C2=O)cc1 16183729 LBLVHKQQHWMCJH-QRVIBDJDSA-N 424.456 3.928 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(F)c4F)C3)CC2)cc1 20536307 CREACZBXUYCVSN-FQEVSTJZSA-N 401.501 3.760 10 50 HHCA CC[C@H](C)N1C(=O)/C(=C/c2c(C)[nH]c3ccc(Br)cc23)C(=O)NC1=S 1137814 KGJHCEFKCNUJON-PFMRQGHBSA-N 420.332 3.664 10 50 HHCA CCCCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 11691715 CTLQZEGMFHNWLM-JLHYYAGUSA-N 418.569 3.721 10 50 HHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 843319 JGVVEPAACQNUEV-LDADJPATSA-N 416.389 3.620 10 50 HHCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 113355404 YNCXHXYZTLIZTO-IIDMSEBBSA-N 405.317 3.923 10 50 HHCA in-vitro Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C1=O 229949202 VXCHZEGCOJVBAY-BHDDXSALSA-N 400.434 3.752 10 50 HHCA COc1ccc(Br)cc1/C=C1/SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O 4754800 LZWXPMSBQBHKEF-HUMSFLDHSA-N 411.321 3.537 10 50 HHCA CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)c2cc([N+](=O)[O-])ccc21 15016643 LLTDMSHEJHSQDV-FOCLMDBBSA-N 414.215 3.587 10 50 HHCA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)Cc2ccccc2O)C1 20542700 NRDVZPAUEMIGQX-NRFANRHFSA-N 411.590 3.677 10 50 HHCA [N-]=[N+]=NCc1nn2c(c1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)CCC2 2325783201 CKLZZOJSHVRLLC-UHFFFAOYSA-N 420.408 3.678 10 50 HHCA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1O 22135336 ZFILRWSQISLLSR-NVNXTCNLSA-N 414.845 3.844 10 50 HHCA COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccccc2)C(=S)N=C1O 4991423 RXURZYIPEKGCTO-RVDMUPIBSA-N 405.435 3.626 10 50 HHCA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)cc1Cl 1201164 VBXXSYGVLIVMPS-PXNMLYILSA-N 401.875 3.595 10 50 HHCA COc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cncn1 14977313 PBOAHENZCSLJNE-KRWDZBQOSA-N 402.502 3.680 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 239030833 CJMKMKWRGVGPJV-WCGFVAAJSA-N 417.527 3.900 10 50 HHCA Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)c1 239338823 LHCMQUIDDUZMNR-YPAWHYETSA-N 400.434 3.752 10 50 HHCA CN(C)c1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 19925591 LRACLWPYFCTBOB-LTGZKZEYSA-N 406.555 3.541 10 50 HHCA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 1088536 YNCXHXYZTLIZTO-RVKKMQEKSA-N 405.317 3.923 10 50 HHCA in-vitro COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)c1 13573540 MXNIPDUGOIHELP-BOPFTXTBSA-N 414.508 3.631 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(F)c(OC)c4)C3)CC2)cc1 19336088 FOUWPMYJCAPTII-OAQYLSRUSA-N 413.537 3.630 10 50 HHCA COc1cc(C(=O)NCCc2c(C)n3c4c(cccc24)CCC3)cc(OC)c1OC 670462218 SKYUJFMUBAIEAJ-UHFFFAOYSA-N 408.498 3.894 10 50 HHCA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 1131229 XVOKOBVFMBKZKJ-LDADJPATSA-N 423.513 3.874 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 101391546 LWEQYPUQHXGNHP-RKLWJJNISA-N 403.500 3.655 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](C)C2 104298722 IVFLOMBMZSYNAC-NTLKJNNPSA-N 417.527 3.901 10 50 HHCA CCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1O 2470709 QWMIXYRWNTWEND-IBGZPJMESA-N 409.398 3.583 10 50 HHCA Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(Cc1ccccc1O)C2 19607851 AIIVFPPVVBJABZ-UHFFFAOYSA-N 407.539 3.574 10 50 HHCA Cc1cc(C(=O)Oc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1F 170593094 OLYKMWGJLGFCLI-UHFFFAOYSA-N 402.447 3.824 10 50 HHCA CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 239159533 MHCSVBLIICKDAJ-WHQNNVSFSA-N 401.576 3.913 10 50 HHCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 1225700 KAWUBTWGXSOXBX-NTEUORMPSA-N 405.635 3.769 10 50 HHCA O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 4258177 UGCMUKUXNTUIEQ-UHFFFAOYSA-N 424.796 3.680 10 50 HHCA COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)O 16192745 QPHQXUBQQHMKGO-SXGWCWSVSA-N 419.455 3.704 10 50 HHCA Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)NCc2ccco2)cc1 2816270 KXAKRTYPQKNYRW-PXLXIMEGSA-N 403.482 3.741 10 50 HHCA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2ccccc2O)CN1Cc1ccc(Cl)cc1 20451182 CSVAREVEANTAEH-RTWAWAEBSA-N 415.965 3.647 10 50 HHCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)C2=O)cc1Cl 4845905 APMJUXGVSFVZSB-VBKFSLOCSA-N 413.861 3.898 10 50 HHCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(Br)c1 1106173 LOKQDLQZYCMPOK-YVLHZVERSA-N 413.271 3.717 10 50 HHCA C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 72441638 DQRHXXMYNZRKAK-FQEVSTJZSA-N 407.558 3.613 10 50 HHCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCc4ccccc4C3)ccc12 1111587 OPBXSGXOIUKMES-UHFFFAOYSA-N 415.445 3.919 10 50 HHCA Fc1cc(CN[C@@H]2CCc3nc(-c4ccccc4)cn3C2)ccc1N1CCOCC1 2325707465 BIXRZEGULPMXJC-HXUWFJFHSA-N 406.505 3.630 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2F)cc1 1117758 RPMCDCTUWVDNJG-XMHGGMMESA-N 402.381 3.506 10 50 HHCA COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(OC)c1OC 1306769 WNYFKQZWVRDTND-UVTDQMKNSA-N 416.817 3.873 10 50 HHCA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 5835087 COHIEJLWRGREHV-VNKGSWCUSA-N 400.319 3.760 10 50 HHCA in-vitro COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2 101392295 RMGYGYBIBZRJDX-RKLWJJNISA-N 403.500 3.655 10 50 HHCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 1908905 KJKCFIOCMDFTCB-KAMYIIQDSA-N 419.553 3.772 10 50 HHCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 9035505 BAFWFQSCLZODCH-ATVHPVEESA-N 417.377 3.830 10 50 HHCA CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CCC(C)(C)O)c3c(=O)c2c1O 14727630 HLOCLVMUASBDDP-UHFFFAOYSA-N 414.454 3.981 10 50 HHCA endogenous,in-man CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc(OC)ccc3O)N2C1=O 22204891 UIAZRTMEJSNYAT-KNQAVFIVSA-N 419.481 3.961 10 50 HHCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1 1198421 WGGXUYXGXVKTDA-NTUHNPAUSA-N 421.236 3.677 10 50 HHCA CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500871 NDZGZISNGKGVDM-XMMPIXPASA-N 416.525 3.705 10 50 HHCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 100147841 CCRFNIDXSMFTTO-RIYZIHGNSA-N 402.204 3.869 10 50 HHCA CCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971800 NDZGZISNGKGVDM-DEOSSOPVSA-N 416.525 3.705 10 50 HHCA COc1ccc(O)c([C@H](C)NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 170623281 HJYITRBKEYURFG-JTQLQIEISA-N 404.829 3.573 10 50 HHCA COc1cc(Br)cc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O 19632916 QBWDPQSAVBQBTI-VMPITWQZSA-N 417.347 3.994 10 50 HHCA COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(N(C)C)cc4)N4CCC[C@@]34C2=O)c1 11937262 ARZBEGOCWZQDMX-OPHFCASCSA-N 405.542 3.699 10 50 HHCA CCOCc1cc(CNC[C@@H]2C[C@H](CO)N(C)[C@@H]2c2ccccc2F)ccc1OC 206130805 YXXFEFCXBIQHGI-NRYAXDJKSA-N 416.537 3.514 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCC2 17083194 WQMBSOYIDGEVGC-INCPQMAJSA-N 405.516 3.878 10 50 HHCA COc1ccc(O)c(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)c1 19328017 UAFMKJPZASKDGY-UHFFFAOYSA-N 406.482 3.829 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(O)c(Cl)c4)C3)CC2)cc1 23373665 IZLKPTFHBUGRLJ-HXUWFJFHSA-N 415.965 3.841 10 50 HHCA Cc1cccc(OCCOCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1 2962743 WUXNQIUOGSAYOR-XMHGGMMESA-N 415.536 3.958 10 50 HHCA CC(C)N1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968811 JRJLYCYGHKJFHH-XUVXKRRUSA-N 413.905 3.661 10 50 HHCA CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S 693716 UWENTBPAFKZNLC-XDJHFCHBSA-N 401.491 3.871 10 50 HHCA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2O)C1 12279229 JLUQIMWRAGWRPG-LJQANCHMSA-N 410.514 3.868 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)CC2)cc1 22851616 WPNHLSIMHNXMHF-FQEVSTJZSA-N 401.501 3.760 10 50 HHCA COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2 239403087 RMGYGYBIBZRJDX-GVAFMPQTSA-N 403.500 3.655 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S 2932654 LVQWNJCZTPTCIK-AWNIVKPZSA-N 424.843 3.794 10 50 HHCA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1 15821940 HVBWMXJFAXKJGL-XWAFYUISSA-N 408.410 3.662 10 50 HHCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1F 1171002 RCMHNEJGMGXNBO-VBKFSLOCSA-N 409.417 3.587 10 50 HHCA CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(Br)c1O 1186344 HRPZIZGSOXNSDC-UHFFFAOYSA-N 413.264 3.799 10 50 HHCA CN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 1480096 BQQWFOWCAQVXOH-KAMYIIQDSA-N 411.533 3.677 10 50 HHCA CN1C(=O)/C(=C\c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC1=S 6578308 HGGIEOSNKVTJPB-SFQUDFHCSA-N 416.480 3.884 10 50 HHCA Cc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 4775694 CEZBYXMUFMOPBK-UHFFFAOYSA-N 402.497 3.597 10 50 HHCA CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)cc1 1148865 GSIJDNLJXPDXKZ-GOSISDBHSA-N 422.348 3.626 10 50 HHCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NCCC(C)C)cc1 4755680 DBOFKLZEOPUDMX-ZHZULCJRSA-N 408.458 3.874 10 50 HHCA COc1ccc(CCN2C(=O)N=C(O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1OC 34234576 BFFORCWBAAHMPL-ATVHPVEESA-N 419.437 3.730 10 50 HHCA COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2O)cc1 1208034 YSCOTPKOFLSXMZ-STZFKDTASA-N 415.449 3.974 10 50 HHCA CC(C)CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 5049602 PIQXBTGYVMSYLP-UHFFFAOYSA-N 414.845 3.933 10 50 HHCA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c1 1150243 PKEHHNPEQQJNFW-MDWZMJQESA-N 421.341 3.959 10 50 HHCA COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 1202632 OCDUYSNOFHZQJT-XNTDXEJSSA-N 404.900 3.895 10 50 HHCA O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2289366 HZJKOFNHLUILSC-GDNBJRDFSA-N 418.452 3.921 10 50 HHCA CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 14010634 FMPLIHIUSJOGSU-GYZOOYGHSA-N 408.454 3.847 10 50 HHCA Cc1ccc([N+](=O)[O-])c(C(=S)c2c([N+](=O)[O-])ccc(C)c2[N+](=O)[O-])c1[N+](=O)[O-] 104045461 KKRQNCZRVFESOJ-UHFFFAOYSA-N 406.332 3.703 10 50 HHCA N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 4701742 QEHJJAQJKHCDBP-PVKCIBLZSA-N 403.183 3.631 10 50 HHCA CCOc1cccc(CN2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1 19218176 CLTXKJKPXQZDEQ-HSZRJFAPSA-N 409.574 3.881 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(OC)cc4F)C3)CC2)cc1 19745613 LMACYYFPBJDBFR-OAQYLSRUSA-N 413.537 3.630 10 50 HHCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(C(=O)O)c1 1235910 NJCAXNRBDBLBJL-WJDWOHSUSA-N 412.492 3.615 10 50 HHCA Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccccc23)C1=O 1106735 BUZDMDTYVWTUSX-OQLLNIDSSA-N 424.254 3.905 10 50 HHCA COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccccc3O)C2)c(OC)c1 12459549 VRBITGXGVUXOAO-SFHVURJKSA-N 412.530 3.718 10 50 HHCA COc1ccc(O)c(CNC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1 749244204 OLKFRLADIIQLCM-UHFFFAOYSA-N 407.426 3.614 10 50 HHCA Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 16945595 JHFBEAYVVZBCBZ-WQLSENKSSA-N 424.960 3.730 10 50 HHCA CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 2948378 ODQNXRHZLNPQLE-HNNXBMFYSA-N 424.522 3.572 10 50 HHCA COc1cc(OC)c(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc1OC 4894312 JUNRINYOIHIGJU-UHFFFAOYSA-N 410.378 3.707 10 50 HHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 13562479 ATGGTZKNMIISPE-UYRXBGFRSA-N 423.465 3.980 10 50 HHCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)cc1 1232280 LJDHTCKGKNAOGJ-VBKFSLOCSA-N 412.492 3.615 10 50 HHCA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O 16713838 XGCHZXVYVVQBBK-LKKYZFDUSA-N 416.572 3.825 10 50 HHCA COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OC(=O)c1ccco1 1118596 GJBQERCFGJFHAV-JYRVWZFOSA-N 409.872 3.992 10 50 HHCA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1189089 XIWBDZMJZBNFHY-SFHVURJKSA-N 400.935 3.838 10 50 HHCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100148683 DZVXVGAGDNGLGG-SXGWCWSVSA-N 401.766 3.875 10 50 HHCA CCOC(=O)Cn1c(C)c(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c2ccccc21 1414639 WOZOSDBHSJEZKP-UHFFFAOYSA-N 413.470 3.759 10 50 HHCA CCCc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 22751928 XURAVEAAHWIYGF-OAQYLSRUSA-N 422.617 3.700 10 50 HHCA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccccc1 2929149 XROASQHSRJPQKM-MBXCTOFRSA-N 413.296 3.837 10 50 HHCA CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1O 18271876 OPGWHUKWAMGKGS-LPGQDOADSA-N 416.437 3.692 10 50 HHCA O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)Nc1ccc(O)c(Cl)c1 8765836 CUAKUDJXBXXHDS-UHFFFAOYSA-N 413.838 3.622 10 50 HHCA COc1ccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 20255062 ZKHYBFRIRDPOQM-QFIPXVFZSA-N 408.521 3.833 10 50 HHCA COc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)cc1 2873466 QUGPNRJRQMTQLW-NTUHNPAUSA-N 423.277 3.539 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239174182 PLOPPQXIMUZDQH-GVAFMPQTSA-N 403.500 3.655 10 50 HHCA C[C@@H](NC(=O)N(C)Cc1cccc2cc[nH]c12)c1ccc(N2CCN(C)CC2)c(F)c1 2325738169 PPUBXAHFQVSMIM-QGZVFWFLSA-N 423.536 3.961 10 50 HHCA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O[C@H](C)CC 660049 FBCBQMQCYMFEDU-LLVKDONJSA-N 410.923 3.515 10 50 HHCA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(O)=NC2=S)c1 15821640 JVWBRFXQMKNNSY-XWAFYUISSA-N 424.478 3.827 10 50 HHCA COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239439058 ZJKRRHWEUHXNHV-YXAMBPQSSA-N 403.500 3.655 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)NC2=S)cc1 2855384 BMDTYKQYHQPHGA-NTUHNPAUSA-N 407.278 3.839 10 50 HHCA CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 8763410 RKFBRMJYSGVVEY-GULXKOIASA-N 418.452 3.919 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)sc2c1CCCC2 1175223 PYWGQTDTTLPVSD-DGCLKSJQSA-N 411.907 3.976 10 50 HHCA O=C1NC(=S)NC(=O)C1=Cc1cn(Cc2cccc3ccccc23)c2ccccc12 5102344 MBERZHRIIBZACE-UHFFFAOYSA-N 411.486 3.757 10 50 HHCA COc1ccc(C2=Nn3c(COc4ccc5c(c4)CCCC5)nnc3SC2)c(O)c1 38512986 JCCMMQDUZNPZJG-UHFFFAOYSA-N 422.510 3.808 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@H](CC)C2 239009578 AVSFNVCPZFZDDL-AVVLXZEZSA-N 417.527 3.901 10 50 HHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 715029 FJGNPJBCLLIIOC-SFQUDFHCSA-N 418.474 3.688 10 50 HHCA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2382005 MZHOULXMJXFBOC-RVDMUPIBSA-N 416.275 3.672 10 50 HHCA CC(C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971295 HYEKHTNCTNOFLI-DEOSSOPVSA-N 416.525 3.703 10 50 HHCA O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1F 4621970 ZIXWWXCXZGNQAU-UHFFFAOYSA-N 404.422 3.728 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 15799854 YYNIDDNFTWDBLU-YBEGLDIGSA-N 412.492 3.533 10 50 HHCA CC(=O)O[C@@H](CCc1ccc(O)cc1)C[C@@H](CCc1ccc(O)c(O)c1)OC(C)=O 206485257 PBCHINDGXDDCEA-LEWJYISDSA-N 416.470 3.622 10 50 HHCA biogenic Cc1cccc(N2C(=O)/C(=C/c3cccc(OS(C)(=O)=O)c3)SC2=S)c1 3002166 FZTNAGJLZGUIFU-WJDWOHSUSA-N 405.522 3.739 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1C[C@@H](C)CC2 100507790 DRIVUZOCVWJTKJ-LTVHRWTQSA-N 403.500 3.511 10 50 HHCA CCCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1O 2470733 CMNHQEXGOSEKLW-FQEVSTJZSA-N 423.425 3.973 10 50 HHCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 12428660 OJWXVAZPRPROLV-BOPFTXTBSA-N 408.797 3.760 10 50 HHCA CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 15822639 NUXHEQGSXFUNCT-WQLSENKSSA-N 418.808 3.553 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cc(OC)ccc4F)C3)CC2)cc1 20784512 YBDINVRDPHKWIC-OAQYLSRUSA-N 413.537 3.630 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)C(=O)NC2=S)cc1 220968137 LNENSOMXLXRKCT-XDHOZWIPSA-N 409.511 3.670 10 50 HHCA COc1cccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc34)C(=O)NC2=S)c1 1197562 TYUXPGDGPJRJKB-CPNJWEJPSA-N 418.474 3.688 10 50 HHCA CN(C)c1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1269254 VQXXDNHRQJJNBS-NAVNFMRLSA-N 412.536 3.650 10 50 HHCA CCCCN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 6042633 JPRPKAWEGMOTJY-WPCFGXOUSA-N 402.541 3.584 10 50 HHCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)cc1 6830186 UDOWAAVLYFSRGX-VBKFSLOCSA-N 410.426 3.782 10 50 HHCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 15799774 JJOVXGFBLFFHOQ-MHWRWJLKSA-N 424.254 3.905 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S 2844680 IPUZEDZRHUASRQ-CXUHLZMHSA-N 403.456 3.691 10 50 HHCA CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)O)cc2C1=O 4724321 GQWQLLHVRGEHDV-UHFFFAOYSA-N 400.818 3.543 10 50 HHCA O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1ccc([N+](=O)[O-])cc1 23115441 HCNIREQWHALJHG-NTEUORMPSA-N 419.871 3.794 10 50 HHCA O=C1NC(=S)N=C(O)/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 1172519 LWANHCJEZFRBHD-UHFFFAOYSA-N 417.830 3.582 10 50 HHCA CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)NC1=S 9295871 UGKFMNHGFKXHIL-DHDCSXOGSA-N 421.291 3.855 10 50 HHCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 12362848 BUURBIQHYCBYDE-XSFVSMFZSA-N 401.491 3.925 10 50 HHCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(C(=O)c4ccco4)CC3)c2)c1 14997711 LQANMNURUMQTLY-UHFFFAOYSA-N 422.481 3.627 10 50 HHCA CC(=O)O[C@@H](CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)OC(C)=O 206485300 PBCHINDGXDDCEA-SFTDATJTSA-N 416.470 3.622 10 50 HHCA biogenic COc1ccc(Br)cc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O 4577607 VXUUJDWCPCERNV-YTQSSNFRSA-N 407.293 3.733 10 50 HHCA C[C@@H](C(=O)Nc1ccc2nc(O)[nH]c2c1)N(C)Cc1ccc(N2CCCCC2)cc1 741709454 JTTJDBWMEPYNIG-INIZCTEOSA-N 407.518 3.718 10 50 HHCA COc1ccc(O)c(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 170626932 MDDSYYODOINMDV-QFIPXVFZSA-N 403.434 3.785 10 50 HHCA CCN(CC)c1ccc(CN2CCC(=O)N(Cc3ccc(C(=O)OC)cc3)CC2)cc1 12244743 URUBMTLTGOYIPJ-UHFFFAOYSA-N 423.557 3.554 10 50 HHCA CC(C)C[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)O 43505222 DYCBTNVNACPQRN-XJUMHSELSA-N 418.519 3.946 10 50 HHCA COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 19720551 ODJCKWJQLUVUCZ-FQEVSTJZSA-N 415.965 3.841 10 50 HHCA C[C@H](C(=O)Nc1ccc2nc(O)[nH]c2c1)N(C)Cc1ccc(N2CCCCC2)cc1 741709455 JTTJDBWMEPYNIG-MRXNPFEDSA-N 407.518 3.718 10 50 HHCA CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)ccc1O 1180868 YFNHBEVOMUJLGS-UNOMPAQXSA-N 407.466 3.972 10 50 HHCA COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 1198764 UAYMNHQVCJXUBB-NTUHNPAUSA-N 405.237 3.977 10 50 HHCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c4ccccc34)C2=O)c1 5043775 AFMQLHFGYKDPJV-UNOMPAQXSA-N 402.406 3.523 10 50 HHCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccn(Cc2ccccc2)n1 100997791 VDEQMEJMWFAXFD-QNGOZBTKSA-N 416.441 3.948 10 50 HHCA COC(=O)[C@@H](NC(=O)COC(c1ccccc1)c1ccccc1)c1ccccc1O 170600550 LUMIVYSLJWLAQM-QFIPXVFZSA-N 405.450 3.529 10 50 HHCA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2966280 KRPXZCQUJFZWJG-LFIBNONCSA-N 405.522 3.594 10 50 HHCA Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 1126622 PGOSKHUBXMDGGJ-SFQUDFHCSA-N 409.486 3.566 10 50 HHCA COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1214832 PQMFDRFMPSHRGX-GDNBJRDFSA-N 404.900 3.895 10 50 HHCA CSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2 683355 SUXFNINFUNMFPI-HXUWFJFHSA-N 407.499 3.771 10 50 HHCA COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccccc1 1066450 XCVPCVARHSUBOH-UHFFFAOYSA-N 406.438 3.598 10 50 HHCA CCCCN(CC)C[C@@H]1C(=O)N(C(=O)c2ccc(C)cc2)N=C1c1ccccc1O 5503329 RIAXRFLQRQLAQH-FQEVSTJZSA-N 407.514 3.826 10 50 HHCA COc1ccc(N2CCN(Cc3cc(Br)c(OC)cc3OC)CC2)cc1 755726 ZNKHLOCFWZKPSU-UHFFFAOYSA-N 421.335 3.797 10 50 HHCA O=c1c(-c2ccc(F)cc2)c(C(F)(F)F)oc2c(CNCCCO)c(O)ccc12 23127142 QSPWEMGEXPRDCN-UHFFFAOYSA-N 411.351 3.796 10 50 HHCA biogenic O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 13571610 IETMBPXNQGYBQP-OVCLIPMQSA-N 410.227 3.597 10 50 HHCA CCCCN1C(=O)/C(=C2\SC(=S)N(CCCOCC)C2=O)c2ccccc21 16225340 KRSMZDGMQQTSOV-MSUUIHNZSA-N 404.557 3.831 10 50 HHCA COc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O 17044534 YCIKNISWFCYMRD-VGOFMYFVSA-N 400.818 3.542 10 50 HHCA CCc1cccc2c(/C=C3\C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)N=C3O)c[nH]c12 20232342 LJGCWWQEFRHZFX-MFOYZWKCSA-N 417.421 3.961 10 50 HHCA CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 2279685 GAIXJLZZQNGFAZ-QGOAFFKASA-N 410.930 3.865 10 50 HHCA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)cc1 2850349 VCMGSNWEVCPETG-HNNXBMFYSA-N 419.319 3.574 10 50 HHCA COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O 13838363 JERODJSOVRUHAC-ZROIWOOFSA-N 407.651 3.573 10 50 HHCA Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 1172447 IBENHPMZQPYSNX-XSFVSMFZSA-N 401.491 3.925 10 50 HHCA COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)c2ccccc21 1214649 HVIPTRPKIJUNHY-WOJGMQOQSA-N 417.421 3.629 10 50 HHCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C 2262610 DNGXZUNKRHKDHZ-XYOKQWHBSA-N 408.310 3.780 10 50 HHCA COc1cccc(-c2nc(-c3cccc(O)c3O)[nH]c2-c2oc(C)cc(=O)c2O)c1 1848443053 UAYSYIIANZXTKE-UHFFFAOYSA-N 406.394 3.798 10 50 HHCA COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1O)N(C(C)=O)CC2 756370 ZTMCRWWNUVNGBH-IBGZPJMESA-N 406.276 3.666 10 50 HHCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccc(Cl)c1 1172815 YXJVFIDRZKNGFR-RIYZIHGNSA-N 405.635 3.769 10 50 HHCA O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1908604 FNGXWOIGFSRSSD-ZROIWOOFSA-N 404.425 3.531 10 50 HHCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)C2=O)cc1 14010668 WUOMBBWAUBOHDM-ZHZULCJRSA-N 421.497 3.770 10 50 HHCA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C1=O 135652111 VXCHZEGCOJVBAY-FDFHNCONSA-N 400.434 3.752 10 50 HHCA CCOc1ccccc1CN1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO 96835290 PNBHBTKCNIMLQQ-FQEVSTJZSA-N 404.938 3.513 10 50 HHCA COc1ccccc1OCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 13897588 PRPKXIAFCQCYPT-QGOAFFKASA-N 401.509 3.984 10 50 HHCA Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 1875354297 UCVJJXOVVGPQPE-IRXDYDNUSA-N 412.486 3.629 10 50 HHCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc34)C2=O)cc1 1197286 LMXCVEUXZFKFNC-DEDYPNTBSA-N 416.433 3.519 10 50 HHCA CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 1213805 JBIQBDXZGCTYIO-OQLLNIDSSA-N 414.845 3.722 10 50 HHCA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(Cl)ccc2O)CC1 12314833 XAWXLYBIUBJQSI-HXUWFJFHSA-N 407.986 3.638 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCCC2 100640422 QERIVNSKODKBSH-APYUEPQZSA-N 403.500 3.655 10 50 HHCA O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1Nc1ccccc1 170592205 SDOUIVWIDYFCHA-UHFFFAOYSA-N 421.522 3.917 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 244787843 QERIVNSKODKBSH-YXAMBPQSSA-N 403.500 3.655 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)cc1 1172517 NNWDVSPZSIACBW-HMMYKYKNSA-N 417.490 3.707 10 50 HHCA CC(C)(C)c1cc(CCC(=O)NN2C(=O)CSC2=S)cc(C(C)(C)C)c1O 5383790 JJALUSWPAFWABU-UHFFFAOYSA-N 408.589 3.811 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@H](CC)C2 100507671 AVSFNVCPZFZDDL-NTLKJNNPSA-N 417.527 3.901 10 50 HHCA COc1ccc(O)c(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 170626931 MDDSYYODOINMDV-JOCHJYFZSA-N 403.434 3.785 10 50 HHCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3c(OC)ccc4ccccc34)C2=O)c1 5043774 WBLJZVUSLUXUSE-UYRXBGFRSA-N 402.406 3.523 10 50 HHCA Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 16182959 ULLCRNJKBINZHJ-MTJSOVHGSA-N 405.429 3.993 10 50 HHCA CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)NC1=S 9295876 CXELUGRZBVQDQA-DHDCSXOGSA-N 421.291 3.855 10 50 HHCA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\c1ccc(Br)cc1 16183860 WHZFZQCAFROWOY-YBEGLDIGSA-N 421.272 3.502 10 50 HHCA Nc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2583324 VALNSJHHRPSUDO-JOCHJYFZSA-N 402.450 3.803 10 50 HHCA biogenic COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)O 15011660 LHPHSNLEEMIAGY-LICLKQGHSA-N 415.492 3.873 10 50 HHCA C[C@H](NC(=O)[C@H]1CNC[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(N(C)C)cc1 1772572750 BNAUPWAOLQXQJZ-KPOBHBOGSA-N 405.464 3.952 10 50 HHCA COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1153201 JGPKPNFLVJNWRF-CPNJWEJPSA-N 421.840 3.806 10 50 HHCA O=C(O)c1cc(S(=O)(=O)O)cc(Nc2c3ccccc3nc3ccccc23)c1O 20059087 SRVIFDUIJBULOP-UHFFFAOYSA-N 410.407 3.782 10 50 HHCA O=C1c2ccccc2C(=O)C1(c1ccccc1)[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 838869 BMIHEQNPPNUPGK-LJQANCHMSA-N 415.401 3.793 10 50 HHCA Cc1cc(N2C(=O)NC(=O)/C(=C\c3cccc(F)c3)C2=O)ccc1Br 1211494 DDTLDFDMCDQGMO-NTEUORMPSA-N 403.207 3.563 10 50 HHCA COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c([N+](=O)[O-])c1 4703813 HOFUQPXWPCBFQY-UHFFFAOYSA-N 410.257 3.873 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S 2827458 OWNIXQCQOHDBTN-AWNIVKPZSA-N 423.855 3.584 10 50 HHCA COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(Cl)cc3)CC2)cc1 2370606 YSZFCJXSLCDSSO-UHFFFAOYSA-N 420.904 3.804 10 50 HHCA COc1ccc(CN2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 15010846 FWCZWFPQIRSNHE-SXGWCWSVSA-N 402.453 3.710 10 50 HHCA COc1cccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)c1OCc1ccccc1 16225266 OULODOYHHOOZHS-ZHZULCJRSA-N 418.424 3.875 10 50 HHCA CCN(CC)c1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1 1198738 ALLAESAMDYPUNF-PDGQHHTCSA-N 410.470 3.903 10 50 HHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 1173985 BZZRYPZQNODVPD-QGOAFFKASA-N 407.882 3.962 10 50 HHCA O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccccc1 1218685 OJTICTILRRCXHC-SSZFMOIBSA-N 402.566 3.698 10 50 HHCA CCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC 13800689 LAFBKUGLPHGJCQ-ACIMENLPSA-N 404.532 3.954 10 50 HHCA CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)cc1 712432 DSCNKSWUSWPLMI-XMHGGMMESA-N 401.491 3.737 10 50 HHCA c1ccc(CCc2nnc3n2CCN(Cc2ccc(N4CCCC4)cc2)CC3)cc1 12219020 PNCLCUPDKJZTSG-UHFFFAOYSA-N 401.558 3.722 10 50 HHCA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 15010714 VZKNRJCCHOFAFG-WJDWOHSUSA-N 416.480 3.753 10 50 HHCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 15769095 QROMKFCVHAQBCE-JXAWBTAJSA-N 404.495 3.939 10 50 HHCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1 15799762 VQYPZWXKDWWVIS-PTNGSMBKSA-N 417.512 3.612 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 239339221 LWEQYPUQHXGNHP-YXAMBPQSSA-N 403.500 3.655 10 50 HHCA Cc1ccc(OCc2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)no2)cc1C 11872983 MHTRWBVVMMQZEI-UHFFFAOYSA-N 421.497 3.637 10 50 HHCA CCCC12CN3CC(CCC)(CN(C1)C3c1cc(Br)ccc1O)C2=O 19323914 IJVXOPNJINBKST-UHFFFAOYSA-N 407.352 3.940 10 50 HHCA biogenic O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 103223130 FYLKWTHBHOBRNP-DXIQSLLYSA-N 405.454 3.894 10 50 HHCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)NC1=S 631904 KFXTUMUIMPJGGS-SAPNQHFASA-N 409.511 3.664 10 50 HHCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1C(=O)O 1232282 XCFQAKOEBFYOFV-VBKFSLOCSA-N 412.492 3.615 10 50 HHCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C 4491443 DDYVTRMVDWMPLT-UNOMPAQXSA-N 403.394 3.933 10 50 HHCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nccs3)C2=O)cc1 15799653 WCLSRMSZEJYIOH-KAMYIIQDSA-N 419.553 3.772 10 50 HHCA Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2O)cc1 18271997 DQEDMBUQJNJGRF-PDGQHHTCSA-N 416.389 3.824 10 50 HHCA CSc1nnc(-c2ccccc2N/C=C2/C(=O)N(c3ccccc3)N=C2C)c(O)n1 100381453 FUVDYDMPTGXVTL-FOWTUZBSSA-N 418.482 3.685 10 50 HHCA COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccccc2O)CC1 12386724 YMBAUZGLEIRPQO-UHFFFAOYSA-N 406.486 3.687 10 50 HHCA CC1CCN(c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])CC1 3877002 WWBFGNVMNZHKBQ-MOSHPQCFSA-N 420.494 3.601 10 50 HHCA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1 823630 DBIVKUUMGGMKMM-JOCHJYFZSA-N 407.514 3.947 10 50 HHCA Nc1ccc(Oc2nc(Oc3ccc(N)cc3)nc(Oc3ccc(N)cc3)n2)cc1 139861466 GGWRKPJRGMCLQA-UHFFFAOYSA-N 402.414 3.995 10 50 HHCA Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)no1 1182975 VTMVPNKJUHVFQZ-LCYFTJDESA-N 407.904 3.866 10 50 HHCA O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2299249 YDVVFXGGKIVZLQ-ZROIWOOFSA-N 404.425 3.531 10 50 HHCA CCOc1cccc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1O 14958893 TWIWULNQYFBWSZ-UHFFFAOYSA-N 400.523 3.809 10 50 HHCA CCOc1cccc(CN2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1 19218184 CLTXKJKPXQZDEQ-QHCPKHFHSA-N 409.574 3.881 10 50 HHCA CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 1186691 UTULGLYISPUBJS-JLHYYAGUSA-N 420.321 3.891 10 50 HHCA Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(O)=NC2=S)c1C 15799826 MKXLYMDRPPNJHT-SWEABUAFSA-N 424.478 3.827 10 50 HHCA CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)CC1 19842097 YPNGNVMGGQDVEH-PGMHBOJBSA-N 407.539 3.873 10 50 HHCA CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 1153556 BWBWOIMRKKVSTB-VVBXCHJUSA-N 412.417 3.678 10 50 HHCA COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 2883846 HEUQEWVCZSQCHB-WUXMJOGZSA-N 409.200 3.808 10 50 HHCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(N(C)C)cc4)S3)CC2)cc1 941935 BCVBCFCKTBWORD-PGMHBOJBSA-N 406.555 3.854 10 50 HHCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 4599565 KCZLJRJKWZOCCG-PDGQHHTCSA-N 406.369 3.761 10 50 HHCA COc1cccc(OCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)c1 2958408 IQPCKWNQXISNTF-WOJGMQOQSA-N 417.508 3.650 10 50 HHCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NC2CCCC2)cc1 4756222 OJFBORKJIIXJHA-ZHZULCJRSA-N 406.442 3.770 10 50 HHCA COc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=O)N=C2O)cc1C(=O)O 16246689 TXHSCCGLMSMOHI-LCYFTJDESA-N 414.801 3.862 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C)C(=O)O)sc2c1CCCC2 100285262 MYCPMISCHRNPFC-WHJXBABYSA-N 403.500 3.655 10 50 HHCA CCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC 4755607 LAFBKUGLPHGJCQ-WTQAEKLLSA-N 404.532 3.954 10 50 HHCA COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1O 15010750 JFUMSUAYXIWNSS-YBEGLDIGSA-N 416.480 3.753 10 50 HHCA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)c3ccccc23)C1=O 5043579 LGSUDYMGQCCVLQ-LGMDPLHJSA-N 402.406 3.523 10 50 HHCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 13880901 XOFMBPFRUANQLW-ZSAINHDTSA-N 415.492 3.953 10 50 HHCA CCN1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 1161304 JHWQIFSIDOJZBH-VBKFSLOCSA-N 422.535 3.528 10 50 HHCA Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2381865 WEGNOMAYESZSQM-OQLLNIDSSA-N 418.452 3.839 10 50 HHCA Cc1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 19708405 PBWPKUFFCSSKOM-UHFFFAOYSA-N 421.522 3.831 10 50 HHCA biogenic CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1cccc(O)c1 100985194 LZYUWYMLFOWULW-MHWRWJLKSA-N 404.207 3.803 10 50 HHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc(C)cs3)C2=O)cc1 1836341 DXRWEMDRLHBETA-ZROIWOOFSA-N 403.554 3.990 10 50 HHCA O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c(Br)c3)c3cccc1c23 9404640 BRURZRRWOVEARE-UHFFFAOYSA-N 419.256 3.674 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 239386734 QERIVNSKODKBSH-GVAFMPQTSA-N 403.500 3.655 10 50 HHCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 2697118 KGHMXHZVJWLQFP-NTUHNPAUSA-N 424.297 3.995 10 50 HHCA c1ccc(-n2ncc3c2CCC[C@H]3NC2CCN(c3ccc4c(c3)OCO4)CC2)nc1 39500852 FCDRJYKZEROPRH-HXUWFJFHSA-N 417.513 3.632 10 50 HHCA CCN1CCC[C@H]1CN(Cc1cc(Cl)ccc1O)CC1CCN(CCOC)CC1 19229269 RGJOPSQCDWZHPI-QFIPXVFZSA-N 424.029 3.690 10 50 HHCA COCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 2695244 RNBQHNTUPSUQSO-HNENSFHCSA-N 424.547 3.760 10 50 HHCA CCOC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CCCC2 623573 SECCSMLYJIENJQ-HNNXBMFYSA-N 413.499 3.565 10 50 HHCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccncc1 1139138 BIZMAAKZZYYRAX-XDHOZWIPSA-N 420.856 3.809 10 50 HHCA Cc1ccc(Nc2cc(N3CCOCC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 4815255 TXQCBNKXEUBLHS-UHFFFAOYSA-N 413.477 3.933 10 50 HHCA CC(C)[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)O 44075892 AJSKPBGSGLIRQK-MKSIGINJSA-N 404.492 3.556 10 50 HHCA O=C(CSc1nc2ccccc2[nH]1)NCc1cc(C(=O)c2ccccc2)ccc1O 784138 QZWDJGFAHTURAN-UHFFFAOYSA-N 417.490 3.908 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1Cl 1194070 WVWHULLTKIDLIO-GXDHUFHOSA-N 400.887 3.878 10 50 HHCA COc1ccc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1Cn1cccn1 20351399 IFCMCBILPBRNFT-DEOSSOPVSA-N 416.569 3.661 10 50 HHCA COC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCCC2 17083199 WAFOZVVFMMBGIO-TUHYSUIHSA-N 405.516 3.879 10 50 HHCA C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 225707749 LXRFCARZLWLFKT-VQIMIIECSA-N 417.981 3.841 10 50 HHCA Cc1nn(-c2ccccc2)c(C)c1CNC1CCN(c2ccc3c(c2)OCO3)CC1 906497020 LKLLQVBZRAZTKP-UHFFFAOYSA-N 404.514 3.976 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1179520 ZREWORXGJRKQHE-XSFVSMFZSA-N 415.405 3.635 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239174183 PLOPPQXIMUZDQH-YXAMBPQSSA-N 403.500 3.655 10 50 HHCA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NNC(=S)Nc1ccc(F)cc1 12339778 NNPBSITXCGPXJC-UHFFFAOYSA-N 419.316 3.974 10 50 HHCA in-vitro COc1ccc(N2CCN(C(=O)c3ccc(OCC(C)C)cc3)CC2)c([N+](=O)[O-])c1 4758000 JOXNAQLBBWKFSG-UHFFFAOYSA-N 413.474 3.601 10 50 HHCA Cc1ccc2nc(-c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3)sc2c1 5647824 FJJXUEHTTSLYMN-UHFFFAOYSA-N 406.467 3.618 10 50 HHCA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(O)=NC2=S)c1 15821645 JVWBRFXQMKNNSY-BGARDKSCSA-N 424.478 3.827 10 50 HHCA Cc1cc(C(=O)NCCc2nc(-c3ccncc3)cs2)c(C)n1-c1ccccn1 748304732 SJWNIDCFUYDXJI-UHFFFAOYSA-N 403.511 3.980 10 50 HHCA COc1ccc(N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 16393666 KBZXRCZHXXZAEL-UHFFFAOYSA-N 421.906 3.698 10 50 HHCA COc1ccccc1/C=C1/SC(=S)N(C(=O)c2cccc([N+](=O)[O-])c2)C1=O 408822368 MIXRHZBZAAAFTH-XNTDXEJSSA-N 400.437 3.645 10 50 HHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1 19939043 PUERMKCIIAEHRU-HSZRJFAPSA-N 409.574 3.804 10 50 HHCA O=C(c1cc(NCc2ccc(N3CCCCCC3)cc2)ccn1)N1CCC(O)CC1 225387206 GQGXOPWFZLPFDS-UHFFFAOYSA-N 408.546 3.671 10 50 HHCA CCCCN1C(=O)/C(=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21 16731363 GTLRBJQNUWJNMF-SEYXRHQNSA-N 411.346 3.797 10 50 HHCA CN(Cc1cc(Cl)ccc1O)Cc1nnc(SCCOc2ccccc2)n1C 55284204 FJYMPFXPYRCKFE-UHFFFAOYSA-N 418.950 3.977 10 50 HHCA COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccccc1 96435818 VPKPDPFTETWPRW-XSFVSMFZSA-N 420.494 3.626 10 50 HHCA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 1185921 VDOYOCQAOYUWSY-UHFFFAOYSA-N 424.522 3.571 10 50 HHCA COc1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 3004694 HWGKVDUGOZJKGQ-FMIVXFBMSA-N 422.293 3.746 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17083192 FAYYDKAQHIXEFZ-UQZDFYISSA-N 405.516 3.879 10 50 HHCA CN(C)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1Br 16667707 YPXGYMPRVZXXRU-ZSOIEALJSA-N 420.694 3.630 10 50 HHCA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc(OC)ccc3O)N2C1=O 22204890 UIAZRTMEJSNYAT-UGKGYDQZSA-N 419.481 3.961 10 50 HHCA CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 1184099 UMHHBPXBPJTQLK-XNTDXEJSSA-N 415.243 3.514 10 50 HHCA COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 4746274 ONKCKRXQSTYFQX-RVDMUPIBSA-N 404.538 3.987 10 50 HHCA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1F 1199429 FIXGSDKZRZXEFM-CPNJWEJPSA-N 418.424 3.875 10 50 HHCA CCOC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CCCC2 623575 SECCSMLYJIENJQ-OAHLLOKOSA-N 413.499 3.565 10 50 HHCA CC(C)CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 1217007 UTRAUGYXHLKWLL-UHFFFAOYSA-N 400.818 3.543 10 50 HHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1 22130580 DWMAVSDWOKTKNS-CPNJWEJPSA-N 423.538 3.681 10 50 HHCA CCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 2862578 NKSUACMNHDUBKH-UHFFFAOYSA-N 400.818 3.687 10 50 HHCA CC(C)C[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 217653121 PPBDTMYBEGSWSJ-NSHDSACASA-N 412.394 3.721 10 50 HHCA biogenic COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 15685406 WBMZVOFDJSZLTL-DHDCSXOGSA-N 418.452 3.723 10 50 HHCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C(=O)O)cc1 1773966 UJYVFXUXYFDAFT-GXDHUFHOSA-N 418.521 3.676 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 1206772 DTTGMUAPJRVDKD-LFIBNONCSA-N 415.243 3.514 10 50 HHCA O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O 9419165 JHDIQDXWNHIDHH-INIZCTEOSA-N 417.259 3.697 10 50 HHCA O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccco1 8914843 QIPQFSMDNVHAIB-YBEGLDIGSA-N 407.338 3.950 10 50 HHCA Cc1ccc(Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)cc1 1186388 FICJYBDQPVCLKU-UHFFFAOYSA-N 403.507 3.597 10 50 HHCA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)CC)C1=O 16805189 RJZLKVMBWRZONA-PBBNAPBQSA-N 402.545 3.516 10 50 HHCA COc1ccc(N2CCN(c3ncncc3-c3nc(-c4ccccc4)no3)CC2)cc1 169775539 KQKGZHZCLSFOPU-UHFFFAOYSA-N 414.469 3.529 10 50 HHCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1Cl 1203821 CGBGZIYQLGAFQH-MDWZMJQESA-N 405.635 3.769 10 50 HHCA CCOc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 6858490 OYFQWTPUSZVGRZ-UHFFFAOYSA-N 408.545 3.706 10 50 HHCA COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 8721786 BZGORQAAWKXLDP-OQLLNIDSSA-N 418.452 3.723 10 50 HHCA CC[C@H](NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1O 1875257683 DDUCZZJTHADSPU-FQEVSTJZSA-N 404.470 3.990 10 50 HHCA CC(=O)OCCNc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 1839383 GYRFTWKTUOOWIP-UHFFFAOYSA-N 401.216 3.777 10 50 HHCA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Cl)c3)C2=O)c1 1219231 QJJBJUWZMXMIQK-MHWRWJLKSA-N 414.845 3.804 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1 55252961 TVLQVZDFTZUNNU-QFIPXVFZSA-N 418.541 3.603 10 50 HHCA COc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 4746271 AZYJBQRKBLICMX-RVDMUPIBSA-N 404.538 3.987 10 50 HHCA FC(F)(F)Cn1nnnc1CSc1ncc(-c2ccccc2)n1CC(F)(F)F 757959881 IVZNIZYDCNWAKG-UHFFFAOYSA-N 422.358 3.954 10 50 HHCA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C)c3ccccc32)S1 3880327 RXCLTQLRIDLRHI-UHFFFAOYSA-N 421.565 3.991 10 50 HHCA COc1cc(/C=C2\SC(N)=NC2=O)cc(Br)c1OCc1ccccc1 4174268 IESWPVQBVMEAPK-DHDCSXOGSA-N 419.300 3.966 10 50 HHCA Cc1cccc(N2CCN(C(=O)C3CCN(Cc4ccccc4O)CC3)CC2)c1C 4547767 BHPPFHWGZPYHLM-UHFFFAOYSA-N 407.558 3.570 10 50 HHCA CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(OC)cc42)C(C)=CC3(C)C)SC1=S 2398092 VILURFIWEHGBFM-PEZBUJJGSA-N 400.525 3.829 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(C)C(=O)O)sc2c1CCCC2 244724655 MYCPMISCHRNPFC-XKYZAPTHSA-N 403.500 3.655 10 50 HHCA COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccccc2C)C(=S)N=C1O 756387 PLMYOMIDCWTSPE-RVDMUPIBSA-N 419.462 3.935 10 50 HHCA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C1=O 1139142 AVFPLXKZECNLLY-XSFVSMFZSA-N 414.465 3.718 10 50 HHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 2916142 XNJJXBAEYXKBFC-NTEUORMPSA-N 421.703 3.934 10 50 HHCA O=C1/C(=C/c2ccco2)SC(=S)N1CN1CCN(c2cccc(Cl)c2)CC1 19795271 ASKXNOLUQAZACC-ATVHPVEESA-N 419.959 3.914 10 50 HHCA COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc1 1197359 JKOQNVKQQYYFCB-XNTDXEJSSA-N 400.843 3.798 10 50 HHCA COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OC 13942008 CDEVKUUOSKWPLC-PDGQHHTCSA-N 417.508 3.650 10 50 HHCA Cc1ccc(Cl)cc1N1C(=O)N=C(O)/C(=C\c2ccc(OCC(=O)O)cc2)C1=O 20149472 KFYYYLWJVPZHLB-OVCLIPMQSA-N 414.801 3.619 10 50 HHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 1129945 GLPNZKZLLHFHIQ-QGOAFFKASA-N 411.889 3.848 10 50 HHCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 1198669 PMINPUGQAZEKHL-NTUHNPAUSA-N 405.237 3.928 10 50 HHCA CCCCN1C(=O)/C(=C/c2c(NCCC)nc3ccccn3c2=O)SC1=S 1761737 VTSSROFNOUNMJE-OWBHPGMISA-N 402.545 3.518 10 50 HHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4c(F)ccc(F)c4F)C3)CC2)cc1 20118053 FXRTXSDYSHZCAI-SFHVURJKSA-N 419.491 3.899 10 50 HHCA O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 983924 OJJKOJXPKLKTLO-BOPFTXTBSA-N 408.410 3.568 10 50 HHCA COc1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 4689623 OWXGOKPYAVKZEA-UHFFFAOYSA-N 402.362 3.631 10 50 HHCA O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Br 1210491 BISMKFKDBKNOAU-UVTDQMKNSA-N 419.325 3.995 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccccc1 2304635 RAIVONBTQIWTTG-HEHNFIMWSA-N 400.434 3.606 10 50 HHCA CCN1CCCc2cc(CN3CCC4(CC3)C[C@@H](O)c3nn(CC)cc3O4)ccc21 2325872162 KPMYZARPDBPISO-OAQYLSRUSA-N 410.562 3.526 10 50 HHCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1 5067205 WGBZIWNGYYGZSK-CHHVJCJISA-N 412.829 3.859 10 50 HHCA CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1O 15837867 KJUVYHCZUVEAJK-HUHIGAQKSA-N 406.467 3.767 10 50 HHCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 169689629 FYLKWTHBHOBRNP-XQBPLPMBSA-N 405.454 3.894 10 50 HHCA O=C(Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21)NCc1cccs1 16265137 UQECUDSTAAMENK-PXNMLYILSA-N 413.549 3.508 10 50 HHCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 20109801 BBSJHYDAAANYDE-KRWDZBQOSA-N 411.329 3.564 10 50 HHCA CN1CCCCC[C@H]1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 952967201 LATZYXKTCSXJDP-DEOSSOPVSA-N 407.558 3.789 10 50 HHCA COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(C)C 15836950 QBIWOWIRQPIPBT-BOPFTXTBSA-N 400.475 3.525 10 50 HHCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 2964135 SOEPSKWGGJFEAE-SFQUDFHCSA-N 416.389 3.620 10 50 HHCA CS(=O)(=O)Oc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 16193271 JFBXABIOALLRBC-GDNBJRDFSA-N 409.485 3.570 10 50 HHCA Cc1ccc(OCCOCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1 2962259 PZVXYWFFYNEMLN-XMHGGMMESA-N 415.536 3.958 10 50 HHCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1ccccc1F 16247243 YVBIZZWMMPUZBK-YBEGLDIGSA-N 403.456 3.932 10 50 HHCA CCOc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1 19361426 LLHNAELRCNNMMC-UHFFFAOYSA-N 405.336 3.871 10 50 HHCA Cc1ccc(S(=O)(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1 840972 MKXIWMVKCFSCIT-UHFFFAOYSA-N 400.525 3.855 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1C[C@H](C)CC2 239309002 HCYWBISQVXIIPQ-DVKYCARXSA-N 417.527 3.901 10 50 HHCA O=C1N=C(O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Br)c1 1203854 PURNIXMNDFICBR-RIYZIHGNSA-N 416.187 3.864 10 50 HHCA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc1 1875389344 LEZXEUVQTAIKRD-UHFFFAOYSA-N 412.471 3.722 10 50 HHCA CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 1118149 XZJAOKLLNXVSER-RVDMUPIBSA-N 414.556 3.579 10 50 HHCA Cc1cc(F)ccc1S(=O)(=O)Nc1cc(SCC(=O)O)c(O)c2ccccc12 8439320 MSIFHZTUWKBDIH-UHFFFAOYSA-N 421.471 3.970 10 50 HHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 14009194 KRDBOPCHUCHBPF-UYRXBGFRSA-N 408.410 3.871 10 50 HHCA COc1ccc(CN2CCN(Cc3cc(Cl)ccc3O)C[C@H]2CCO)c(C)c1C 104397547 VIDLJIMXMQTBGE-OAQYLSRUSA-N 418.965 3.740 10 50 HHCA COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2c1 2995027 YWEFKOHZFCMXEI-DEDYPNTBSA-N 416.433 3.832 10 50 HHCA COc1ccc(N2CCN(c3nc4ccccc4cc3-c3noc(C)n3)CC2)cc1 33318214 VQNGEGGJMUBTQJ-UHFFFAOYSA-N 401.470 3.928 10 50 HHCA CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N(C)C1=S 1186143 QJQGSYIJCNQURA-UHFFFAOYSA-N 400.887 3.518 10 50 HHCA CN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)SC1=S 1083666 YAPZIQCVCHLLCR-YWEYNIOJSA-N 409.124 3.748 10 50 HHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 17167353 ILUWZMULZHVXCJ-WQRHYEAKSA-N 407.422 3.691 10 50 HHCA O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 4070646 NMEPTTVDOWQLRL-GIJQJNRQSA-N 412.580 3.973 10 50 HHCA Cc1nc(COc2ccc(/C=C3/SC(=S)N(c4cccnc4)C3=O)cc2)no1 1875256115 RNFJRZQBDPKNIH-CXUHLZMHSA-N 410.480 3.758 10 50 HHCA CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1O[C@@H](C)CC 660051 FBCBQMQCYMFEDU-NSHDSACASA-N 410.923 3.515 10 50 HHCA CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 1029075 AYMGJUVBQWHEQY-SFQUDFHCSA-N 414.508 3.640 10 50 HHCA COc1ccc(N2CCN(C(=O)c3cccc(Cn4cc(Cl)cn4)c3)CC2)cc1 1142408 SJTATABLRGYRKY-UHFFFAOYSA-N 410.905 3.556 10 50 HHCA CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2978210 CQDCULUTWQUDPL-OAHLLOKOSA-N 424.522 3.572 10 50 HHCA Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 256269694 KMLVKWGMGPTYLS-UHFFFAOYSA-N 423.813 3.671 10 50 HHCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1 13802138 JSJDNVYCGMGSDM-LGMDPLHJSA-N 404.557 3.735 10 50 HHCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 22171444 NPFCTTQNSVVUBA-UYRXBGFRSA-N 407.422 3.661 10 50 HHCA O=C1N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc2c(c1)OCO2 1085953 UTOWQUZMHXAQNL-RVDMUPIBSA-N 409.398 3.505 10 50 HHCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 2980732 KIWFBZMPKUUWAJ-FOWTUZBSSA-N 409.804 3.936 10 50 HHCA CCOc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)C(=O)N=C2S)cc1 6784053 AKWWHGBYRDAZQB-PDGQHHTCSA-N 405.479 3.820 10 50 HHCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 9355097 GPKHRVUOZFKBFA-VXLYETTFSA-N 420.856 3.809 10 50 HHCA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2O)n1 6490159 FUFWVYWCZIHIDD-GOSISDBHSA-N 419.441 3.817 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)sc2c1CCCC2 1128795 NBEPGHNEWFAPRN-CQSZACIVSA-N 412.511 3.795 10 50 HHCA COc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(O)c(CN(C)C)c32)cc1 18033160 RKAJCIAQWYAAJJ-OUKQBFOZSA-N 410.474 3.847 10 50 HHCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 1767080 TWJGEHROORTEAO-YPKPFQOOSA-N 418.247 3.993 10 50 HHCA CCn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1 2793068 WBSBOJJKHRMOHH-UHFFFAOYSA-N 416.506 3.960 10 50 HHCA CN(Cc1cscn1)C(=O)[C@@H]1CC12CCN(Cc1cc(Cl)ccc1O)CC2 11872749 CCIGVKCNZFPMIR-KRWDZBQOSA-N 405.951 3.763 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)sc2c1CCCC2 1175225 PYWGQTDTTLPVSD-WCQYABFASA-N 411.907 3.976 10 50 HHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 239212580 SZFXIWSPFITWIU-GWIBLVFBSA-N 403.500 3.511 10 50 HHCA Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2560905 VALNSJHHRPSUDO-QFIPXVFZSA-N 402.450 3.803 10 50 HHCA biogenic,in-vitro Cc1cc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)ccc1Br 5074073 SKPAQOBNVYJAIR-FMDPHQNASA-N 401.216 3.573 10 50 HHCA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)Cc2ccccc2O)C1 20542697 NRDVZPAUEMIGQX-OAQYLSRUSA-N 411.590 3.677 10 50 HHCA O=C(NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1Cl 1011272 HNMXQYYOCJSENB-ZROIWOOFSA-N 419.871 3.794 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 245227524 IPWOJINDHICCPA-GVAFMPQTSA-N 403.500 3.654 10 50 HHCA CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 1172577 BXLOEHKZAMRAEU-LFIBNONCSA-N 415.243 3.514 10 50 HHCA O=C1C(CC[S@@](=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1 100004231 MBGGBVCUIVRRBF-LJAQVGFWSA-N 404.491 3.796 10 50 HHCA world CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)OC)C1 101385295 XXEHSBZPOHEQAK-BFPXCNAZSA-N 403.500 3.511 10 50 HHCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)cc1 706488 NYFQDEIZRGROGV-QFIPXVFZSA-N 423.513 3.913 10 50 HHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O 22239195 MCKYZAHVGJTDLS-YRNVUSSQSA-N 421.236 3.764 10 50 HHCA CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OC(=O)c1cccs1 660904 CQRVPKZCGWGRBM-UHFFFAOYSA-N 402.424 3.586 10 50 HHCA CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)cc1 666546 BDZPBHRUOBLCRC-HXUWFJFHSA-N 410.543 3.583 10 50 HHCA CN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 16676215 FPGVXAWMOKQCQH-NTEUORMPSA-N 420.321 3.891 10 50 HHCA COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 16718803 GYOQDWMTQDXDOB-GDNBJRDFSA-N 404.900 3.895 10 50 HHCA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(=O)OC)C1 239248036 XXEHSBZPOHEQAK-NQMOMTLDSA-N 403.500 3.511 10 50 HHCA C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 65619661 DQRHXXMYNZRKAK-HXUWFJFHSA-N 407.558 3.613 10 50 HHCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1 15800627 BSIGWGDBFDLXNN-PDGQHHTCSA-N 417.508 3.650 10 50 HHCA CCn1ncc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C 2797468 SQGABPRMZLLATL-UHFFFAOYSA-N 416.506 3.960 10 50 HHCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 631928 RVOBFXSTOJJNNI-FYWRMAATSA-N 413.474 3.630 10 50 HHCA COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 1164015 LGKPUVVADPXASJ-MOSHPQCFSA-N 405.450 3.654 10 50 HHCA COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)cc1 239434055 YXWLUFJYUXOUAJ-NZRJUOQRSA-N 404.595 3.656 10 50 HHCA COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 1125887 KFNZZCSUYBWWHV-NXVVXOECSA-N 400.456 3.558 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccccc2)c1 2365150 VKQKIHBNYJJKRS-OQKWZONESA-N 400.434 3.606 10 50 HHCA O=C(Nc1ccc(F)cc1)c1ccc2c(c1SCCO)C(=O)c1ccccc1C2=O 12377231 CPYYDQCVYYMMMY-UHFFFAOYSA-N 421.449 3.938 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 239119562 IVFLOMBMZSYNAC-AVVLXZEZSA-N 417.527 3.901 10 50 HHCA O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 12512911 SHMZNOXQGMYZKM-WJDWOHSUSA-N 408.801 3.500 10 50 HHCA COCCN(Cc1cc(OC)ccc1O)CC1CCN(Cc2ccccc2F)CC1 11753907 ZNKMPALUMUDSRZ-UHFFFAOYSA-N 416.537 3.901 10 50 HHCA COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] 4313679 FALNWEUYLRIPDT-UHFFFAOYSA-N 402.362 3.631 10 50 HHCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c4ccccc34)C2=O)cc1 5043842 BWDDGUMIYSADHC-DEDYPNTBSA-N 416.433 3.519 10 50 HHCA COc1cc2c(cc1OC)CN(Cc1cc(Br)cc(OC)c1O)CC2 19634189 OZDDJKCRYBIPCN-UHFFFAOYSA-N 408.292 3.739 10 50 HHCA COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O 33286115 ZUFSEPBTEKSEOZ-OQLLNIDSSA-N 420.899 3.600 10 50 HHCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1O 1186316 CGTFAXZBDUKFNC-DHDCSXOGSA-N 404.900 3.886 10 50 HHCA CSc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 1183931 PZLPYFMFQMEEMS-OQLLNIDSSA-N 417.284 3.837 10 50 HHCA COc1ccccc1N1C(=O)C(=Cc2ccco2)C(=O)N(c2ccccc2OC)C1=O 3130498 HVYDLKCGAIQVTO-UHFFFAOYSA-N 418.405 3.880 10 50 HHCA Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 1206988 SFNCXUDCZWIGSG-XNTDXEJSSA-N 401.285 3.589 10 50 HHCA O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 12629562 HFMRNPPKAKDPOB-PXNMLYILSA-N 400.437 3.725 10 50 HHCA O=C1c2ccccc2C(=O)C1(c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 838867 BMIHEQNPPNUPGK-IBGZPJMESA-N 415.401 3.793 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCC2 17083195 WQMBSOYIDGEVGC-DCNYZXSGSA-N 405.516 3.878 10 50 HHCA COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1217237 AQCMHFRDUNFXMY-PTNGSMBKSA-N 404.538 3.987 10 50 HHCA Cc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1 4819387 MCOWCEBRLRRKGR-ZHZULCJRSA-N 417.534 3.525 10 50 HHCA Cc1cc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)ccc1Br 1211699 XYYGYPAUIUFRBB-XYOKQWHBSA-N 405.273 3.794 10 50 HHCA Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)c(Br)c1 980477 BJMSXWYPGYIAPW-UHFFFAOYSA-N 419.300 3.616 10 50 HHCA Cc1cc(N2CCCCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 1151032 WLVUSYMPOUIQPU-ZHZULCJRSA-N 423.513 3.956 10 50 HHCA CN(C)c1ccc(/C=C/CN2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1 12213231 UDHJUDXUWUOIDQ-WTCGPSRQSA-N 423.557 3.802 10 50 HHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 14010729 QMIDVGNFCIFLTB-GZTJUZNOSA-N 414.845 3.804 10 50 HHCA COc1ccc(N2CCN(C[C@H](O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)cc1 239434054 YXWLUFJYUXOUAJ-BKXMBWNOSA-N 404.595 3.656 10 50 HHCA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc(OC)ccc3O)N2C1=O 22204884 UIAZRTMEJSNYAT-SIKLNZKXSA-N 419.481 3.961 10 50 HHCA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1OC 77387093 WSPKAVWMKGNYJO-OAHLLOKOSA-N 418.921 3.705 10 50 HHCA c1ccc(CN2CCC[C@@H](CNC3CCN(c4ccc5c(c4)OCO5)CC3)C2)cc1 1506409426 XFMNHGHUXKXKNI-NRFANRHFSA-N 407.558 3.886 10 50 HHCA CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)ccc21 2049423990 CNXJLJRLEOYICN-UHFFFAOYSA-N 403.482 3.824 10 50 HHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C 2830496 FCLIIVIIRRMRCR-GXDHUFHOSA-N 400.887 3.797 10 50 HHCA Cc1noc([C@H](NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C(C)C)n1 170625572 MVFOMOGSHIKISE-HXUWFJFHSA-N 410.474 3.684 10 50 HHCA CN1C(=O)/C(=C\c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)SC1=S 6578257 IWTRARVOOFFKMC-SFQUDFHCSA-N 416.480 3.884 10 50 HHCA CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 13635148 PKRJZKFRRJSIEW-VBKFSLOCSA-N 424.298 3.993 10 50 HHCA Cc1cc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(C)n1-c1ccccn1 225764394 XEEXPSPDMCKPHE-HSZRJFAPSA-N 412.534 3.866 10 50 HHCA Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 1875354298 UCVJJXOVVGPQPE-SJORKVTESA-N 412.486 3.629 10 50 HHCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 682721 XEYWPINCRPAIHE-BOPFTXTBSA-N 409.785 3.970 10 50 HHCA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)cc1 706489 NYFQDEIZRGROGV-JOCHJYFZSA-N 423.513 3.913 10 50 HHCA COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1OC 1118121 NGVYKXOGALRLFH-YVLHZVERSA-N 415.492 3.754 10 50 HHCA N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(SCc3ccccc3)=NN12 4644047 LCSYHIBGQPUSLN-ZSCJGDHMSA-N 422.491 3.925 10 50 HHCA CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CC[C@@H](C)C2 101713749 IVFLOMBMZSYNAC-HVCLXXKLSA-N 417.527 3.901 10 50 HHCA CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cc(Br)ccc2O)NC(=O)N1 940185 ONYPLBAMDXSEQY-QGZVFWFLSA-N 416.275 3.730 10 50 HHCA c1ccc(-n2nc(CNC3CCN(c4ccc5c(c4)OCO5)CC3)c3c2CCC3)cc1 952879860 SOOMHTYXTKSPCW-UHFFFAOYSA-N 416.525 3.848 10 50 HHCA COc1cccc(O)c1CN1CCC[C@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 11664184 OBFBIQCKTGQGSR-KRWDZBQOSA-N 406.486 3.642 10 50 HHCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCC2 17083193 WQMBSOYIDGEVGC-TUHYSUIHSA-N 405.516 3.878 10 50 HHCA CCCN1C(=O)/C(=C2\SC(=S)N(CC)C2=O)c2cc(Br)ccc21 16730113 HPEWKZJYYHYBCI-SEYXRHQNSA-N 411.346 3.797 10 50 HHCA C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2Cl)C1 252537640 LXRFCARZLWLFKT-APWZRJJASA-N 417.981 3.841 10 50 HHCA