smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C 2080275 VHKCKQMWOWXPJG-WYMPLXKRSA-N 463.372 4.817 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CCC3)ccc1O 13189400 ZCKLUZZHSZFVNN-XMMPIXPASA-N 475.570 4.510 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 13387987 SZTANGSXTUIXRK-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C(O)[C@@H]2C(=O)OC)cc1 16994626 NEIMBNCHOQELHE-NHCUHLMSSA-N 499.976 4.689 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OCC 408757590 AMZSZAGDWRTUBY-YBEGLDIGSA-N 457.324 4.995 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408870398 VEQCOJNGGOENPU-VULFUBBASA-N 483.362 4.874 50 40 JJGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 408870787 UQXSEMMXAJGMJX-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O 409126291 NMWGTBLJLYOJMD-AREMUKBSSA-N 487.600 4.657 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409264144 PFEABBLDWLMJLT-KBEKLNEQSA-N 475.976 4.985 50 40 JJGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Br)s1 9468847 DVWWOSSPAPMBSK-YBFXNURJSA-N 484.422 4.527 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 9907439 JRBXTRAQMVNNCP-UCQKPKSFSA-N 456.498 4.586 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(I)cc1 10118432 CUDPKRLOUVZYQQ-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 20232734 UPDGHCTZNOQJOJ-UHFFFAOYSA-N 455.624 4.975 50 40 JJGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(I)cc1 59473210 FQYVNLLWYKJSST-ZICWZVMQSA-N 458.752 4.966 50 40 JJGB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 100500244 JVVVDYWRARXARD-UHFFFAOYSA-N 492.837 4.670 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)Nc1cccc(Cl)c1 408764415 RXORHGOXFZTKKJ-DHRITJCHSA-N 486.753 4.884 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408788929 NDPUTXXGGYBKCI-LICLKQGHSA-N 457.324 4.554 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408864708 YLCJZLGILSGUGH-NHDPSOOVSA-N 476.916 4.849 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408961711 DNFUPQQPTPTNER-UVHMKAGCSA-N 473.407 4.965 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409006376 JABMEDLYZVNMGU-ZHZULCJRSA-N 471.513 4.575 50 40 JJGB CSc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 409006518 OJTWCQWFYSNLGL-ZMOGYAJESA-N 450.391 4.718 50 40 JJGB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NNC(=O)C4CCCCC4)c23)C1 1377296 LAQMVNJJSYGRMB-ZDUSSCGKSA-N 458.653 4.513 50 40 JJGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 3089611 YQJKZZIBBXOLOB-WMJRALALSA-N 465.145 4.611 50 40 JJGB Cc1cc2c3c(c1)[C@]1(C(=O)N3C3(CCCCCC3)CC2(C)C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21 14162329 TZHRIIOKCKSEIQ-LJAQVGFWSA-N 485.584 4.750 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 19948945 FTIIEOJDJARFJJ-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB CCOc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 20233466 VWUKACZCDDDKHP-UHFFFAOYSA-N 478.014 4.760 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 107652909 CKPWZZWKFOFMON-CPNJWEJPSA-N 459.458 4.694 50 40 JJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Br)[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118927294 ZRFUNSREDKBRDI-QHKUYLHMSA-N 453.417 4.574 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)c(OC)c1 408866748 IPBVWQCXMWMBSG-SRZZPIQSSA-N 474.517 4.551 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccccc1 408879828 FPKXVVUPMNGWDZ-GHRIWEEISA-N 468.918 4.662 50 40 JJGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 722419 CZZJKXSDUAJMNG-FOKLQQMPSA-N 472.295 4.763 50 40 JJGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 9144755 SAJXYSZCOBQYOS-UQUMYOEYSA-N 461.484 4.638 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 59333142 ONRVPTCBQKZSGM-BWAHOGKJSA-N 482.584 4.527 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 59333939 LRJYVOPDWMWUKS-NSIKDUERSA-N 482.147 4.925 50 40 JJGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 59443842 ZMCGHPFMYGNLRV-UHFFFAOYSA-N 483.678 4.937 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408607429 CXYBQPIOLKAXTN-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 408610639 OQPSYEKPJQBVFH-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1O 408791951 FQPLYOSFMDTDMX-LFYBBSHMSA-N 468.678 4.513 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 408896132 PEBHTYWELOMWMN-DEDYPNTBSA-N 471.469 4.985 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccc(C)cc3)cc2c1 409190619 TUHYDVREKQDDAC-NTFVMDSBSA-N 471.513 4.921 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(C)c1 623002 NXIQJGJLAFEYHE-FQEVSTJZSA-N 481.350 4.595 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2361060 IVLGHAAZKHINNZ-CVKSISIWSA-N 477.977 4.839 50 40 JJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1ccccc1C)oc1ccccc12 16362987 CTTNXVMNPRQUJK-OGLMXYFKSA-N 459.502 4.803 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC(C)C)cc1 408603873 HNUJAGWHBPHGGL-QHCPKHFHSA-N 474.586 4.807 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 408806999 NWEKGZHCNYCIKP-MRQGAHQESA-N 453.542 4.727 50 40 JJGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2OC)c1 408819549 ZHSFHGZISYBBQY-JKUICJFLSA-N 464.562 4.893 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccc(Br)cc1 408858520 SRADVOLJYPMYFG-MXAYSNPKSA-N 450.258 4.951 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409261075 AXNBSQSXBJWHAE-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409373056 WCOCHQPDHRFAKE-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB Cc1ccc(-c2csc3ncnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)c23)cc1 933088 YWXRYLZAMREZIN-UHFFFAOYSA-N 468.991 4.873 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccc(Cl)cc2)cc1 1254567 GNOBAYCBZWJYOR-JFLMPSFJSA-N 492.992 4.624 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1cccc2ccccc12 2081164 RZZNKYIDHANPFA-JZCUADNKSA-N 451.320 4.532 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(F)cc3)CSC2=C1C#N 2212659 MOQGZHOHXXAUMR-INIZCTEOSA-N 474.355 4.816 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(I)cc2)o1 3085589 AWCOCHDROOJNGU-SSDVNMTOSA-N 480.689 4.734 50 40 JJGB C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC 9204757 KYTUBUNAKIKQPV-YDZHTSKRSA-N 451.748 4.759 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)c(O)c(OCC)c2)C(C#N)=C(N)O3)cc1 9282263 TZMMVVXHYDHHKJ-SFHVURJKSA-N 497.349 4.560 50 40 JJGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 9948573 CZZJKXSDUAJMNG-KSEXSDGBSA-N 472.295 4.763 50 40 JJGB C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c1cccc3[C@@](C)(c1ccccc1)CC2(C)C 12407380 IUVBMXOKIJIXAJ-GFWQDSRMSA-N 479.580 4.736 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1COc1c(F)c(F)cc(F)c1F 15934150 KZSFFANLFSKUKQ-YPXUMCKCSA-N 477.370 4.503 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 19947901 SQDRJOYEVYILEV-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc([N+](=O)[O-])c1 32576857 DSFUBPHVAGBMJZ-MXAYSNPKSA-N 479.949 4.889 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 33649532 XMPZMDCZDPYLFW-SSDVNMTOSA-N 466.431 4.750 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc(C(F)(F)F)c2)cc1 408774021 NVXYIFJHMRYJHY-RWPZCVJISA-N 489.519 4.668 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 408848888 WTOSQIVZOQZHPH-UCQKPKSFSA-N 495.535 4.720 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2cccc(C)c2)cc1 408865866 FAIMLBGMLOXDIE-VULFUBBASA-N 490.412 4.956 50 40 JJGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 408988757 FUKWUICVMKRYRG-KMPOOHAWSA-N 466.544 4.558 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 409188699 KCSCKLMJYAQVBZ-PDGQHHTCSA-N 467.953 4.722 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc(C(=O)O)c1 409244094 XNTUHPBGERLCMO-VLZFXTDASA-N 456.498 4.757 50 40 JJGB CCOC(=O)c1c(NC(=O)[C@@H](Br)c2ccccc2)sc2c1CC(C)(C)OC2 2318605 PLCOHKSKJKIBAI-INIZCTEOSA-N 452.370 4.851 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 9358013 NXZRHGSSGNCXCI-FYAMCCBRSA-N 497.576 4.928 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 9376299 KNFLFERAYFMTPN-YGYUYSJASA-N 496.336 4.673 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1 13856790 BURYDICNXWXLQG-YLJYHZDGSA-N 486.952 4.726 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 14407891 DPGNFVKCZABWBV-CVKSISIWSA-N 467.909 4.919 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4s3)c2)cc1 16310740 QFAFDWHXESWZSC-ZVHZXABRSA-N 497.623 4.615 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc(Cl)c2)c(C)c1 34861662 PBKQYWZAOHSBEB-QRQIAZFYSA-N 498.048 4.649 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 35077693 ZVNKTRTVBAXNIL-LGJNPRDNSA-N 487.325 4.948 50 40 JJGB O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)[C@@H]1COc2ccccc2O1 36093523 FEYSOYMUINDXON-GTACIPAWSA-N 481.306 4.860 50 40 JJGB CSc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 58919152 FPPNSRZWCHBQRE-WGOQTCKBSA-N 481.643 4.755 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(I)o1 96444198 WVYOBNBRHXDTFX-POHAHGRESA-N 457.065 4.501 50 40 JJGB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 100971218 OBHXQOGOIVFRFZ-QJOMJCCJSA-N 481.581 4.746 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc(Br)cc1 408543009 MRJPDWLTEHWABU-AWNIVKPZSA-N 482.197 4.992 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408607962 GBDNOJSATBDLMQ-XODNFHPESA-N 490.774 4.992 50 40 JJGB N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408744169 XGFXVIINCXXMOE-JYRVWZFOSA-N 461.113 4.660 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OS(=O)(=O)c2ccc(C)cc2)cc1 408881456 NFMOHEYIJGOPCW-RCCKNPSSSA-N 476.554 4.879 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccccc1C#N 408915732 ZRCYOPVLBPOUDS-MUFRIFMGSA-N 457.530 4.682 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 408933926 BBRXRQJBHKULBT-OCSSWDANSA-N 484.531 4.901 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OCC(=O)Nc1ccc(C)cc1 408965391 GUEIPIOSKOCPSH-IPPBACCNSA-N 485.462 4.804 50 40 JJGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408983662 NEYYKVNMJQSXFW-VGOFMYFVSA-N 493.741 4.517 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409190344 XHINGXACXDPHKY-MFOYZWKCSA-N 455.898 4.802 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(C)nn(-c4ccccc4)c2Cl)C(C#N)=C(N)O3)cc1 987197 VJXPWBKALPYMQY-FQEVSTJZSA-N 472.936 4.841 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1Cl 1806384 MMKCUVPTOVGALU-XMHGGMMESA-N 464.953 4.651 50 40 JJGB N[P@@](=O)(OCCC(OCc1ccccc1)OCc1ccccc1)N(CCCl)CCCl 5492724 WQAXVYVBIJVCCX-SSEXGKCCSA-N 475.353 4.999 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 9328125 YUFMDELMNIMHNX-XDOYNYLZSA-N 475.335 4.735 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 12586105 OBHNWTNINZAGPW-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCc1ccccc1 13943597 SJENCNPBQHKSOA-XNTDXEJSSA-N 452.264 4.841 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 20059124 BEONIKCSMGWKAL-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 20232513 PEJXKYLDCDGBSP-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 21946858 OEIUCEBIXYUCLP-KLJDGLGGSA-O 454.550 4.705 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 32579187 NOCCWZQYJBCGHP-KBKYJPHKSA-N 456.857 4.559 50 40 JJGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 408720185 VLNXMUYVEIDDKC-WYMPLXKRSA-N 493.423 4.553 50 40 JJGB O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccn1 408722589 LKICEUBZWYITCP-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 408745683 OFRPDTCCBXPVJQ-UNOMPAQXSA-N 459.458 4.737 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408759490 FZAYJVJYSRVIEF-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408867667 MDUMWFJEAJSZMB-GLYRRZRCSA-N 492.000 4.950 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccccc1 408899233 OGPMDQKPBCAJQH-TURZUDJPSA-N 453.498 4.859 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408942935 SEHRJOCEHSFINT-VULFUBBASA-N 452.942 4.543 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccc(Cl)cc1 409254930 YLQPRDCYDHXOJS-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OCC 409317794 VUNUGJFEEXQJFZ-YUMHPJSZSA-N 462.502 4.525 50 40 JJGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C(=S)Nc3ccccc3)s2)cc1 1793745 BDUJHLBRERTFDV-SRZZPIQSSA-N 473.674 4.772 50 40 JJGB COc1c(O)ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1[N+](=O)[O-] 3081366 MFVVZSCAPJIQLK-DHRITJCHSA-N 457.527 4.552 50 40 JJGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc(Br)cc1 3091206 DZTFTIDTSBSNKI-DNTJNYDQSA-N 489.993 4.536 50 40 JJGB C/C(CC(=O)Nc1ccc(Br)cc1C)=N\NC(=O)COc1ccc2ccccc2c1 9763449 HIQQCRGDVGOHGH-WGOQTCKBSA-N 468.351 4.810 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc([N+](=O)[O-])c1 12464923 AFBGTGYTIOROMO-STZFKDTASA-N 473.605 4.680 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3OC)nnc2-c2ccccc2)cc1 16226359 GJSAXQVDNJKYTE-NMKRPIGBSA-N 499.596 4.859 50 40 JJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 34898013 BQJUPPOLWWREEI-NDZAJKAJSA-N 476.536 4.827 50 40 JJGB CC1(C)[C@@]2(C(=O)N3CCCCC3)CC[C@]1(C(Br)Br)[C@H]2Br 98046361 VMWYZDLUGHXOAF-KMUNFCNLSA-N 472.059 4.685 50 40 JJGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 408809070 HNMWTNSIEBMNDO-BXPUGBIQSA-N 484.984 4.664 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409026638 VFXVOIXWCKQXID-BUVRLJJBSA-N 470.422 4.619 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409222266 BJOVPUCXJTYRMC-WGARJPEWSA-N 494.891 4.580 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 1098477 QWDDDZQRARKRHE-FOWTUZBSSA-N 461.430 4.586 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3114633 ZNLJOWDKCADEQF-VULFUBBASA-N 481.346 4.814 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 13401408 GJKONBOSFIRXRL-KGENOOAVSA-N 473.533 4.809 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 16043586 IJAZJUMLNZEFSA-FJGILDIRSA-N 497.661 4.814 50 40 JJGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1Cl 16136920 MARPGEPVQISRBT-BHGWPJFGSA-N 458.729 4.555 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 20558634 IJNLPUDVQMEWGM-XMMPIXPASA-N 485.565 4.530 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1)c1ccccc1 28214849 JQXGAKLJFNWROV-FGAYPWGZSA-N 461.587 4.575 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1O 30814040 VTYTVKPRBWVCOA-NKVSQWTQSA-N 482.128 4.826 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408864648 YVWUCQYTULURDY-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1 408924225 MCEUULXKKQXMHJ-SFQUDFHCSA-N 468.918 4.662 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl 409111364 ABQPELOSDRZSIK-DHRITJCHSA-N 493.416 4.561 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1 409223196 FVEWWISAJKCUBD-WKIKZPBSSA-N 471.391 4.905 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OCC 409331585 GOHJDHZSNDZRAR-PKAZHMFMSA-N 475.501 4.901 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1 1478280 DLTYAJQNQXRENY-LQKURTRISA-N 482.569 4.667 50 40 JJGB CC(C)c1ccc(/C=c2\sc3n(c2=O)C=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 2217308 RCMMVDZZXZUZHE-GCCOTWRSSA-N 451.595 4.822 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccnc1 9007554 GNTNNTOFQPRSRE-CIAFOILYSA-N 450.014 4.511 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19950827 WIQQVFVZWPEMPR-OVVQPSECSA-N 479.602 4.554 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(Cl)cc2C)cc1 20206883 WHGRSDXJOFEJKZ-UHFFFAOYSA-N 462.015 4.979 50 40 JJGB N#C/C(=C/c1ccccc1)C(=O)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21 102944178 LIMWAYWRTQGEAX-YATIHBHBSA-N 490.304 4.627 50 40 JJGB O=C1c2ccccc2C(=O)N1CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104187557 UAUZRIKBCCGFQJ-UHFFFAOYSA-N 465.533 4.789 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1 408606940 BEXSBWUNCHVRRG-MZJWZYIUSA-N 469.900 4.546 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408782555 KCFQWZVOZJVMNH-HPNDGRJYSA-N 463.603 4.656 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)ccc1OCc1ccc(C(=O)O)cc1 408966342 LUQQCDDUNUCSBE-QRQIAZFYSA-N 469.497 4.527 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1 408976716 BXVGOICFOIKXSF-QQNPRBCQSA-N 463.509 4.732 50 40 JJGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1Br 408998932 QWQNNPYWQLZCOM-WSDLNYQXSA-N 479.400 4.587 50 40 JJGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc(C)c1Br 409194859 DELREZICPGAXLH-MRCZTLKWSA-N 456.384 4.676 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccccc1Cl 2306712 YKDXJTVYMDLOOH-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1O 2330717 DOQGGCFPWWHINM-WYMPLXKRSA-N 496.639 4.940 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)cc2)cc1 20232338 BYAMFQXTDVRJMX-JVWAILMASA-N 495.670 4.988 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OC 33654497 SEFQKWSJUDLALY-ZMOGYAJESA-N 455.308 4.645 50 40 JJGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 33660141 VNSLKTYSOVXYNM-JCMHNJIXSA-N 466.497 4.921 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 107766880 GEKWBLQXBQWPHD-YBFXNURJSA-N 493.922 4.729 50 40 JJGB CCOc1ccccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650254 MAMCQRIXNMSHOH-OXQOHEQNSA-N 464.345 4.515 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408851394 JTEUIABXKKNINK-RMORIDSASA-N 479.714 4.555 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1cccc(Br)c1 409013423 UWXMHYUCMJTSHE-UUYOSTAYSA-N 477.156 4.531 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccnc2)cc(Br)c1OCc1ccc(C#N)cc1 409141559 AGMGZWXKGXFOSY-DJKKODMXSA-N 489.329 4.849 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 2176118 GEKRHFNBFGNWGJ-TURZUDJPSA-N 493.629 4.828 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 9071564 QXEZMUXJVMIYPW-ZXVVBBHZSA-N 471.586 4.884 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)ccc1O 9308727 ANZYEYOYZCCSEM-HSZRJFAPSA-N 466.497 4.588 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 13382282 CLLYKSAPCHNZJF-WGAHVHMHSA-N 471.542 4.900 50 40 JJGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Cl 13811138 QIOVCTDPSOKOMU-XMHGGMMESA-N 470.916 4.672 50 40 JJGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19949045 UPERFPMTPINQIR-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)c(C)c3)cc2)cc1 32579640 HDHSNRXWHFCZFX-VOGYRUBXSA-N 478.932 4.805 50 40 JJGB CCOC(=O)NC(=O)/C(C#N)=C\Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1 100913156 VRZWNDBJIMQNSF-LUAWRHEFSA-N 454.792 4.638 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 408612973 XYZGOUATVJADGY-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCC(=O)O 408807802 LBZVWVADYKSPHU-VGOFMYFVSA-N 493.741 4.819 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccc(F)cc1 409141734 WNSJZPJNOCHGJM-QFIPXVFZSA-N 452.869 4.990 50 40 JJGB CCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2793848 KJDXZFSEFQLKQD-WMZOPIPTSA-N 482.576 4.576 50 40 JJGB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1 8989908 NHTLEGZYSBWDOO-YVLHZVERSA-N 460.300 4.583 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1cccs1 9289413 MAHPWTSSMXGDHO-ZVHZXABRSA-N 487.375 4.821 50 40 JJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1)oc1ccccc12 9805558 CBQGHYPOLLCJML-OGLMXYFKSA-N 459.502 4.803 50 40 JJGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 13526551 TVDOBZZYSYKFFL-RLFNFHRJSA-N 488.632 4.882 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 20233208 YUSCDFMHASEQLI-CVKSISIWSA-N 494.375 4.868 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1F 32519981 ILALWHCMNJEWOF-LGJNPRDNSA-N 465.506 4.797 50 40 JJGB COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 34799411 CJUZOFFJHIKMBQ-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58913774 KVBVEZDWHXEJRK-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 408612915 XKFZYEMWWRVUBK-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB CN(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 408729401 ZLGGVJXASGUVGR-WGARJPEWSA-N 463.379 4.799 50 40 JJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OCC 408851125 IQZYCKHLBLWQDT-MXAYSNPKSA-N 485.334 4.630 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409265140 NYBPQRDSYINFOS-HZHRSRAPSA-N 469.541 4.635 50 40 JJGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)ccc1OC(C)=O 2187955 JGJDTZMDDMRJJQ-MOYYISEASA-N 499.361 4.844 50 40 JJGB COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c1 2325526 YQNSFWYQGZLSON-QGZVFWFLSA-N 486.391 4.686 50 40 JJGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c1 9403067 LATJJYYDYQKKRI-UHFFFAOYSA-N 457.596 4.818 50 40 JJGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccco1 13811478 RYHBXRUCKUJGEQ-GXDHUFHOSA-N 481.295 4.610 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 35352011 RCRSISPWPDSUBE-VUTHCHCSSA-N 471.557 4.664 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1Cl 59333511 OUCOSRZEEPFZTB-NVNXTCNLSA-N 496.732 4.527 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408864629 YPSWWQDVBUDZFA-AUEPDCJTSA-N 481.361 4.597 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 409027733 PXJWDGITFFTSSZ-SZXQPVLSSA-N 463.603 4.700 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409248186 CKBVZJIOKOHVHS-GPUKMNDYSA-N 475.976 4.985 50 40 JJGB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 2676288 BRVLTNUKQLZTLG-UVHMKAGCSA-N 487.339 4.815 50 40 JJGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 3116268 IICDYLGIUNZWBT-WPWMEQJKSA-N 453.454 4.660 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccs3)n2-c2ccc(C)cc2)cc1 9046782 MJWDKJSZFBKONS-UQQQWYQISA-N 477.615 4.945 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2Cl)cc1 16310018 PZGASRUTNJNJIZ-VULFUBBASA-N 490.412 4.643 50 40 JJGB O=C(N/N=C\c1ccc(OCc2ccccc2F)cc1)C(O)(c1ccccc1)c1ccccc1 408747439 NYASJRRRCTXBND-FSGOGVSDSA-N 454.501 4.791 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC(C)=O 408763304 RZQYQXZALFZVLY-LSFURLLWSA-N 474.138 4.844 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(Cl)cc2)cc1 408863932 VOFKKBAFUXKASL-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Br)cc1 409123025 DIGJYMVREGFOCQ-HSZRJFAPSA-N 479.330 4.960 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)NC1CCCC1 409193295 INCJJMWCCVHNQS-ODLFYWEKSA-N 497.336 4.708 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 409225955 UFNJPESUCKYODN-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccc(OC)c3)n2-c2ccccc2)cc1 9019216 PPILEPCLHNYMBG-IMRQLAEWSA-N 487.585 4.584 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 9289452 DVJJJSGZQMFIRM-SSDVNMTOSA-N 462.687 4.964 50 40 JJGB Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)C(C)(C)CCl)[nH]c(=O)c1Cc1ccccc1 11855403 NMNQVUIWLQXFOD-UHFFFAOYSA-N 482.009 4.787 50 40 JJGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)Nc2ccccc2)=C(C)N1 20348605 IPMCLEOGBRHDFJ-XMMPIXPASA-N 478.593 4.762 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCCCCC)cc1 28632302 QSKWMQYQXIDMIH-WYZSWBMLSA-N 487.394 4.948 50 40 JJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408764955 OBTHCIQOCUIZLO-PDGQHHTCSA-N 451.320 4.744 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)c2ccccc2)cc1 408862302 INXPQYDWQSDIEG-SGWCAAJKSA-N 493.629 4.751 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 409012946 LRDZSSMOIKMMMJ-STBIYBPSSA-N 483.524 4.638 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1 409217353 BQTJUSDZIXTKLH-WZUFQYTHSA-N 471.048 4.732 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 409224539 MIMJGYMEYGHKLI-UHFFFAOYSA-N 483.480 4.524 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nnc2-c2ccc(C)cc2)cc1 706932 CJDZUTRBVAQWBJ-JVWAILMASA-N 487.585 4.502 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)cc3C)oc12 1106762 SPQVINLIHVTHQI-ZMOGYAJESA-N 456.340 4.876 50 40 JJGB CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2209481 YIYIPKVRYGAWFX-CHTIKVTKSA-N 467.594 4.992 50 40 JJGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 8721771 AMCUCWZGFNVWKA-BHGWPJFGSA-N 457.246 4.805 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c1 8811035 ZBWJSKMKQHGSQZ-DHRITJCHSA-N 470.367 4.946 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(C#N)cc1 8812825 NDHGCBSRBDOLRP-VULFUBBASA-N 464.319 4.672 50 40 JJGB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C)cc1Br 14921217 OAIKAQCKKDLAJB-ZVHZXABRSA-N 491.386 4.821 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1Oc1nc(Cl)ncc1F 15018635 JNVYOFHUTTXKDC-KKMKTNMSSA-N 450.857 4.987 50 40 JJGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc(Br)cc(Cl)c1O 18173717 NDUWMSNJGJVMJJ-CGOBSMCZSA-N 452.519 4.644 50 40 JJGB COc1cccc(CN2c3ccccc3C3=C([C@H](c4cccc(C)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558750 DFUBFSYBJIQPJF-XMMPIXPASA-N 485.565 4.530 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 408769653 YLADHZLJZPSLIJ-MOHJPFBDSA-N 453.542 4.530 50 40 JJGB C#CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 408840318 DLAVGFXNZVNRHM-KKMKTNMSSA-N 492.910 5.264 50 40 JJGB O=C(CCCl)O[C@@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)CCCl)c1nc2ccccc2[nH]1 408975229 KVOAXIZPVANTMX-BGYRXZFFSA-N 475.332 4.566 50 40 JJGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 409122078 YUIUBLMLXNYKAP-RUDJBYLXSA-N 475.614 4.882 50 40 JJGB COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(C)cc1 409224785 MTVQQBMFFKMDBU-MXAYSNPKSA-N 467.865 4.548 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409236540 RVLPNKLCYAUVGD-MUXKCCDJSA-N 484.911 4.848 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409324831 VUCFMQALUKJXMP-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccs2)cc1I 8861834 GKZBTLDIFOQKOB-FSJBWODESA-N 487.322 4.567 50 40 JJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 28214201 COLBXCLVRIDJBL-CTOFZRSPSA-N 482.005 4.666 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 33390238 WVFKVFJXQVLISF-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 33694638 IGEAPNXSEPVPKD-JFLMPSFJSA-N 469.501 4.629 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)cc2OCC)cc1 408792471 KCRVIKDXIUYMJV-GZTJUZNOSA-N 487.350 4.969 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2C)cc1 408874224 ZKVCJIQGLQYMNJ-OEAKJJBVSA-N 487.556 4.511 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4C(=O)OC)c3C)cc2c1 409186658 GDHKVWBJACMDAY-DICXZTSXSA-N 459.502 4.790 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)cc2c1 409189385 KKKIXYATLBSQSF-ZMFRSBBQSA-N 476.445 4.700 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409240611 QRUXWBQFGNZCQE-UHBFCERESA-N 452.489 4.906 50 40 JJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 636853 YZXMSWHOSVYCEE-JFLMPSFJSA-N 461.587 4.704 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 946980 XNYNPKSURCXFJL-XNTDXEJSSA-N 462.287 4.553 50 40 JJGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1OCc1ccccc1 2100329 RXELCXBWTXGIPG-WGOQTCKBSA-N 480.362 4.897 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 3146620 QLPQGMCIDXBWNB-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1cccs1 6600527 ZUVIYDZHCMMRGH-CVKSISIWSA-N 460.511 4.989 50 40 JJGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 9346354 PRBOFSFEKKMWCP-PXLXIMEGSA-N 464.525 4.635 50 40 JJGB Cc1cc(Br)ccc1SCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 12658411 VTVHDLPVHFHMQC-UHFFFAOYSA-N 451.430 4.604 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OCC(C)C 13076155 DVGZUBNIYPNNEQ-CJLVFECKSA-N 473.577 4.602 50 40 JJGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)ccc1Cl 13779301 TZJKYCXVKYJFEY-GHRIWEEISA-N 462.937 4.723 50 40 JJGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 58913626 MVTCVRBKMIIQCD-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OCc1ccccc1 109032713 PIOPEDKBUYKQJL-VULFUBBASA-N 496.361 4.759 50 40 JJGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1 408602617 DYBYKJHVVIPZFJ-QGZVFWFLSA-N 483.927 4.563 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)cc1 408754281 PQYPPAYSBCYMAL-VULFUBBASA-N 490.610 4.865 50 40 JJGB CCOc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 408778825 LYKDEHSHJKBLGM-XAYXJRQQSA-N 493.629 4.714 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC(=O)OC 408792607 LLDZPNHBSNQOEM-LICLKQGHSA-N 487.350 4.508 50 40 JJGB O=C(N/N=C/c1ccccc1Br)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408856308 BTXKOVWYSNJGFI-OVVQPSECSA-N 477.406 4.535 50 40 JJGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(CSc2ccc(Cl)cc2)cc1 409002335 TWBIMSKDKCOJKA-MFKUBSTISA-N 455.967 4.826 50 40 JJGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 846314 YHFHKFQLFMIEQI-QHCPKHFHSA-N 480.524 4.988 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)c1O 2214186 VWVSPKIGDLKMHC-OGLMXYFKSA-N 499.596 4.619 50 40 JJGB O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1cccs1 4132783 FCHSMYMFGQNDAG-FZSIALSZSA-N 482.979 4.505 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 9087659 SCPIFIRDAUNNGN-KRWDZBQOSA-N 462.358 4.713 50 40 JJGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(I)cc2)c1 9201910 IHONCZLTARUVMC-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9242497 GEPXZSMTANBECZ-GOSISDBHSA-N 451.324 4.846 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CN2CCOCC2)cc1 23382816 KBTNHTCSKYBSBQ-VULFUBBASA-N 458.345 4.850 50 40 JJGB O=Cc1cc(Br)ccc1O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br 100293912 BLLFLEXWBCJYNS-WEFJBSGNSA-N 465.185 4.677 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C 408607734 NZKQEEKDVZQEJM-VULFUBBASA-N 480.362 4.734 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 408861449 APLOKAOVKMYXNI-ZXVVBBHZSA-N 479.602 4.520 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408883765 UTLNOVOQUIIKPH-QGOAFFKASA-N 482.945 4.970 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(F)c1 408966380 LHCPTRHFQWOZNI-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccn1 409187343 PDGUUXOLMPMMDI-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 409202080 ZGXSULCXYNDPBF-DEDYPNTBSA-N 476.916 4.750 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 935011 NLNKGODYAUVTPR-WTALZMIHSA-N 477.973 4.984 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(I)c1 71325868 STDLAFZVGZIIGX-SRZZPIQSSA-N 450.663 4.969 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408676065 DLMXRIFKGBDDKE-WPWMEQJKSA-N 474.517 4.547 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1 408819901 YYURKQBYANFJPH-CXUHLZMHSA-N 473.323 4.577 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 408870113 VFBCYGPUNBRINR-MWAVMZGNSA-N 486.616 4.570 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1 408881787 MQSFNPULUOCPHP-OVVQPSECSA-N 474.538 4.770 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(=O)c1ccc(C)cc1 408887222 MTPUEJVULJUHRH-UDWIEESQSA-N 471.469 4.985 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 408893117 FSBYPBCMHOFDBV-GZTJUZNOSA-N 497.916 4.870 50 40 JJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 409004636 XVTKVMHTEBRGLD-ZBCBXWAGSA-N 475.548 4.863 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(I)cc2)cc1 409129518 GYIRHZFMXMTNOL-JOCHJYFZSA-N 496.304 4.794 50 40 JJGB Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)c1 409256554 PHVJNJVYADRRRO-QFEZKATASA-N 466.335 4.539 50 40 JJGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 880801 ZGQUKTBOIXBYCD-FOKLQQMPSA-N 472.295 4.763 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 2346619 ZVJHUOORQMSOPL-IBGZPJMESA-N 475.408 4.811 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1ccc(C)cc1 12859628 PIFSXEYCXIEFCS-LQKURTRISA-N 460.530 4.759 50 40 JJGB C/C(=N/OCC(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1cccs1 16136690 AZIUUTBWRIBLHD-SUGDDQRYSA-N 490.379 4.732 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 16438675 FCPGJWFASPCQDI-KGENOOAVSA-N 476.554 4.934 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(=O)Nc1ccccc1 34759630 GFVFCVLHCWRCCC-STBIYBPSSA-N 483.524 4.638 50 40 JJGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 39381490 ZAYXLUWQHYTETP-TWKHWXDSSA-N 464.521 4.600 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)/C=C/c1ccccc1 59500513 MOXIIGLNRLQSOA-LKDBUWGJSA-N 485.540 4.817 50 40 JJGB Cc1cc(NC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)ccc1Br 408905305 WVOZGJWQELYIOZ-YXSASFKJSA-N 475.126 4.683 50 40 JJGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 409225501 QIHKERAOTNXHEC-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409265895 WSSGUYYBFQPUQJ-WWINXXQNSA-N 461.949 4.731 50 40 JJGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2360499 OHZLTEYKKDMZEZ-FYAMCCBRSA-N 485.565 4.769 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 3145966 FCPNFTBTDQNWIS-JVWAILMASA-N 493.972 4.544 50 40 JJGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)c(C#N)c1C 10118511 IERSHCXRMIFZAB-BHGWPJFGSA-N 486.313 4.544 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2)cc1C 33349218 TXTZRPPXXALJNE-ZMFRSBBQSA-N 496.361 4.553 50 40 JJGB Cc1nn(CCC#N)c2c1[P@@](=O)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2 104990537 BOYYVOYJWHCCAD-RAMABHJQSA-N 455.502 4.774 50 40 JJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br 408803242 MVIGDFIWXCKTLV-WUXMJOGZSA-N 451.704 4.674 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1 408859742 YSJGABCKKQREDV-XKZIYDEJSA-N 496.523 4.930 50 40 JJGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408962869 KSERCKOGTNKVAY-BRJLIKDPSA-N 469.257 4.643 50 40 JJGB O=C(N/N=C/c1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408973393 MKCLXSYFMSCDLH-VMBKIOOXSA-N 463.990 4.921 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccccc1 408997961 PJEWGYVRVBKSHG-VUTHCHCSSA-N 463.493 4.922 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)c(OC)c1OC 985579 VWXFTCFIIVORDO-INIZCTEOSA-N 473.316 4.627 50 40 JJGB FC(F)(F)c1ccc2nc(CI)c(CI)nc2c1 5085868 XMXACYYGHLZRLW-UHFFFAOYSA-N 477.993 4.519 50 40 JJGB C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 8397100 IBJXERLHBUOKFG-FNVGFWRISA-N 491.665 4.553 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 8426853 GHTZSSZMXICIFK-TURZUDJPSA-N 487.581 4.584 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)cc1 9575721 NSFWOVHAXPVEFH-RWPZCVJISA-N 489.519 4.598 50 40 JJGB COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1 9908348 RDRNYUIFZFNOFJ-OCSSWDANSA-N 483.524 4.638 50 40 JJGB CCOc1c(Br)cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1OC 16688088 XQZXODGLLCRLCK-UHFFFAOYSA-N 463.372 4.817 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccccc2F)cc1 19816713 BRWXIYLEBJJAGU-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1F 33380276 TUDVEZCNMLVJCR-UYRXBGFRSA-N 459.477 4.706 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl)Nc1ccccc1 408677124 PLVSJTJWVTZDGV-OGLMXYFKSA-N 476.964 4.722 50 40 JJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1 408800331 MCWWQTPVJAJNAO-WUXMJOGZSA-N 498.704 4.516 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 408899861 RDLUQBXXEAJCOU-DHRITJCHSA-N 492.513 4.566 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1C 409010580 CGYMYRVFXDXMEF-VUWYEWKUSA-N 494.419 4.759 50 40 JJGB CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 409140430 FFCQDPJCYMJAFF-LFVJCYFKSA-N 492.022 4.536 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)cc1C 409376353 XKXBGWKIRSODES-MZJWZYIUSA-N 486.484 4.739 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1061810 OKNKNTHICQAMOS-QHCPKHFHSA-N 470.554 4.532 50 40 JJGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 1887917 SHHHDWGMZPYKMV-YMGIJWJESA-N 457.555 4.639 50 40 JJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1C 2273836 NMRRZZUWJBATFB-XODNFHPESA-N 457.452 4.812 50 40 JJGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1Cl 8951678 LEERPPPFOUYQOH-WTALZMIHSA-N 477.973 4.984 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 16188644 VHNSKTKUDPEUFX-ZVHZXABRSA-N 462.358 4.582 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 20760125 AQPUXEPRSOVLKU-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1cc(P(=O)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(Br)c(OC)n1 100007661 QLDONYXNHGEDKE-UHFFFAOYSA-N 474.335 4.734 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(C(=O)O)cc1 408542445 LQMQSEPSPUOGAW-MTJSOVHGSA-N 486.480 4.606 50 40 JJGB C#CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408747279 LNISXPHMMIBRJA-YUMHPJSZSA-N 497.776 4.501 50 40 JJGB C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC 409132455 YBDYEKFXEJLHFG-JOCHJYFZSA-N 486.012 4.686 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409244162 YUKXFBXGZWKGRQ-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC 409312318 FNRCHBMHZNUGGM-MXAYSNPKSA-N 469.881 4.608 50 40 JJGB Cc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c2ccccc2n1 2319711 DNIOYEKWFIQNTD-ZVBGSRNCSA-N 463.129 4.538 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)n[nH]2)cc1 9110052 VOUFQIIEFNYVPO-LQKURTRISA-N 470.529 4.745 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 20232792 YCFIQKTXLMBTOH-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28213541 ZHDKHFDMIDTDGP-VULFUBBASA-N 467.978 4.741 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 30822037 AQSXUTMUIIFTNY-JTOGBTRBSA-N 460.530 4.957 50 40 JJGB C#CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC 35386263 IDNSIYBVSDYSCL-YBEGLDIGSA-N 483.309 4.951 50 40 JJGB O=C(CC(=O)C(Cl)(Cl)Cl)[C@@H](Br)[C@@H](Br)c1ccccc1 101051506 WGOAJXGQPCBDGW-WDEREUQCSA-N 451.369 4.785 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1 408606398 LWDZJUJPNSLZJE-FQEVSTJZSA-N 463.965 4.978 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408710947 ZKHFQRKUVBZGJJ-DHRITJCHSA-N 457.299 4.940 50 40 JJGB O=C(Nc1ccccc1)[C@H](NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 408734037 FIQHTQWJZAXZSZ-RUZDIDTESA-N 485.971 4.577 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408745496 MWFXHXXKLCNGJF-YBEGLDIGSA-N 457.324 4.967 50 40 JJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Br 408805933 CQMWMAVJMJPLGJ-SFQUDFHCSA-N 457.324 4.960 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408815208 GXZLFGXEXXYIMC-QPEQYQDCSA-N 481.705 4.729 50 40 JJGB Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408873500 UXRLVXUJWVVQSC-SSDVNMTOSA-N 456.369 4.638 50 40 JJGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1OC 408890587 WAAGEBTWYCPPMN-UFFVCSGVSA-N 470.161 4.691 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408898561 WXRCCGZFMYJAEE-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409006822 LFYSHIXHWWQBBD-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 409227485 ZEHGBDXPWJVYPJ-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1OC 409330458 AJNPBFGEZNVLAL-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1C 2071882 AOKOCZFXTORISC-VULFUBBASA-N 481.346 4.814 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 9973111 MSOLNYVSSXZBTE-ZHZULCJRSA-N 471.513 4.575 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 15223252 WMCCMCMJMXYMOK-CEUNXORHSA-N 468.509 4.510 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(Oc2ccccc2)cc1 20059710 SQURMHCQJAIYSP-OVVQPSECSA-N 473.554 4.548 50 40 JJGB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103918323 PJXODYPIYVTCCB-QQTULTPQSA-N 452.558 4.916 50 40 JJGB COc1cc2c(cc1/C=N\NC(=O)c1ccc(COc3ccc(-n4c(C)ccc4C)cc3)o1)OCO2 107842230 NGWGQMQAOJPBSJ-MUXKCCDJSA-N 487.512 4.767 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 408779829 LPOPJNZEJQQARU-NVMNQCDNSA-N 487.350 4.557 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(C)C 408811519 NUPGCDOJSITKHN-CXUHLZMHSA-N 476.314 4.941 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 408899796 QTXKVHQXTGQHKS-AFUMVMLFSA-N 477.567 4.767 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 408900864 YFLHZOHYVVHVLR-DHRITJCHSA-N 471.282 4.580 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408923890 HSZZTNRQNIAWOJ-ZVHZXABRSA-N 470.422 4.597 50 40 JJGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 409089991 PPDZBJMIYQKMME-VEILYXNESA-N 459.546 4.500 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 409124590 IHOVPFAWAXVACJ-NRFANRHFSA-N 469.310 4.982 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409227591 QKSYVGIVQQXWDZ-PVFDWLMNSA-N 456.498 4.757 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 409377424 HJQDIBIUDDYZRE-XDJHFCHBSA-N 459.477 4.788 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl 8427400 FVDFWUOKKMAXMD-QPSGOUHRSA-N 466.546 4.947 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)c1 9088957 VXKJQOURHUTXLC-LQKURTRISA-N 470.529 4.745 50 40 JJGB N#Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(I)cc3)cc2)c1 10118608 CNNHQLUDOHOTRY-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 12137140 VHBKIYIYKPUHSG-PMACEKPBSA-N 454.526 4.889 50 40 JJGB CCOc1ccccc1-c1nc(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cs1 12484367 NTCNQSCDUDQIND-UHFFFAOYSA-N 453.608 4.505 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OCC 14134819 VMHGWHMTLPAPRI-SRZZPIQSSA-N 472.710 4.506 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(F)cc1 408607853 FHJOMIZNEYDAAG-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1c(F)cccc1Cl 408610368 TWQFYQHMXDJOHB-QGZVFWFLSA-N 497.954 4.871 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(O)cc1 408787611 CPRSSHWWLYRAJJ-FMIVXFBMSA-N 454.236 4.869 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1Br 409045430 GSDIDFAHKPCUGD-JVWAILMASA-N 462.347 4.983 50 40 JJGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc(OC)c1OC 2442421 DKQLTMORGUTOKT-LJQANCHMSA-N 465.575 4.549 50 40 JJGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 6015259 ZDQLWLRHYGLCRY-JOCHJYFZSA-N 483.977 4.589 50 40 JJGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 8452139 AZCDZRAYTSMSSH-VULFUBBASA-N 467.978 4.741 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1cccc(C#N)c1 9204527 XKMJNCVAWSWGOS-JFLMPSFJSA-N 478.346 4.601 50 40 JJGB Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 14254116 KRTVUGMEHJOJFJ-UHFFFAOYSA-N 475.932 4.886 50 40 JJGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 16699809 CZJFWVGFARWBJQ-MEVAHUFZSA-N 470.573 4.776 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1Cl 23723775 PQDZJBRBRPGLCU-AUYRHBJBSA-N 481.980 4.968 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)Cc2ccccc2)cc1 59443819 KHSBHWWQOQIZBF-UHFFFAOYSA-N 469.651 4.894 50 40 JJGB C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 97664012 HLNSKEJQGPGVCV-NWFCWYBLSA-N 465.859 4.902 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)c(C(=O)OCC)c1C 108231589 INGPRTCYKYXDBS-WOJGMQOQSA-N 499.585 4.925 50 40 JJGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(I)cc1 408763329 MSFBZLPTGGIGCL-LCYFTJDESA-N 497.130 4.998 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)c(Cl)c2)cc1 408774901 DLZNEQDJDUEYDF-VULFUBBASA-N 490.412 4.956 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(C(F)(F)F)c1 408961500 CNQHYWCRRDYKLE-QPSGOUHRSA-N 466.051 4.700 50 40 JJGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1 408968824 BUIAZWYTPRRFKO-AKLYFZKISA-N 487.600 4.634 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1 409187084 LTNAWRWMRMQSKD-MOSHPQCFSA-N 458.470 4.527 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2190181 REAZODWADMVIRH-BRJLIKDPSA-N 488.283 4.650 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)cc1 3644300 MYMFESYCESQDBI-KNTRCKAVSA-N 496.523 4.748 50 40 JJGB C=CCc1cc(/C=N/NC(=O)c2cccs2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 3766243 BNXYPEPIYAMKFX-CVKSISIWSA-N 464.543 4.916 50 40 JJGB N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12377297 WIKPZQLXNDZFGO-MHZLTWQESA-N 450.473 4.737 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1)c1ccccc1 20232385 ZZBXBZXTLYBQEK-RDRPBHBLSA-N 483.593 4.669 50 40 JJGB O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccc1 20522373 DOFHQABCXZDTCR-PNOGMODKSA-N 474.564 4.827 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417178 SAXNNNURZJMZFY-WKIKZPBSSA-N 474.395 4.964 50 40 JJGB O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cccc(I)c1 408764927 NWDLXUKNRFTJBB-ZMOGYAJESA-N 496.308 4.510 50 40 JJGB N#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408844468 CVYOJXSYKYEPEW-YVNNLAQVSA-N 477.112 4.624 50 40 JJGB COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408881564 MZYCFSRJERWOAK-SGWCAAJKSA-N 493.629 4.751 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1 409048706 USBABBKACKBKJR-CPNJWEJPSA-N 486.484 4.557 50 40 JJGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC 409336920 QRBHQOBMSBRKJG-QFEZKATASA-N 485.334 4.769 50 40 JJGB COc1cccc(OC)c1OCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)cc1C 651153 RCVMCSBXMGEJHC-DEOSSOPVSA-N 460.530 4.714 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCC(=O)OC 659607 MVVLBGSPMSVXIQ-UVHMKAGCSA-N 480.904 4.954 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccc(C)cc2)cc1 2332673 DOWQWAFBEMIUAM-JFLMPSFJSA-N 475.549 4.633 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 9910002 MXHPJVXRYATMGA-UQNFDQQLSA-N 471.376 4.747 50 40 JJGB O=C1C(Cl)=C(Cl)/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)C1(Cl)Cl 11565544 LMAAQFHDBBYMDP-XTTRTJGBSA-N 455.961 4.523 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc(Br)ccc1O 14408639 ZEGHDZLDIQXXTJ-ZVBGSRNCSA-N 464.659 4.740 50 40 JJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 19370484 VYMOFFPHHYEPGC-UXHLAJHPSA-N 488.035 4.736 50 40 JJGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 108218451 YRUNZKODUGLZTR-VUTHCHCSSA-N 468.509 4.510 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC(C)C)cc1 408603868 HNUJAGWHBPHGGL-HSZRJFAPSA-N 474.586 4.807 50 40 JJGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408837933 PQLCAYVJTALFCB-FDAWAROLSA-N 480.534 4.787 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c(C)c1 408905440 AFPQAWMZVZLOGP-OGLMXYFKSA-N 491.544 4.972 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC(C)C 408950450 KIBOEZWBNVYZBS-ZDLGFXPLSA-N 482.378 4.992 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)c1 408963785 ATSUTPDFOXTIMB-VULFUBBASA-N 498.377 4.562 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 3140254 CPLHWCXFZJOCHF-LSHDLFTRSA-N 484.188 4.744 50 40 JJGB CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1 8854497 UFQRLMUDYLTJEB-UHFFFAOYSA-N 485.650 4.989 50 40 JJGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9292681 MCIUHQLCSLCWDQ-QHCPKHFHSA-N 478.508 4.660 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 13062610 NBDMHFHLYOUXMW-UVHMKAGCSA-N 491.491 4.947 50 40 JJGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1cccc(Br)c1 20248888 ZUTTURQPVZUFHB-UDWIEESQSA-N 456.203 4.985 50 40 JJGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2Cl)NC(C)=C1C(=O)OC 20348690 YYSSODARANESJA-HSZRJFAPSA-N 498.004 4.980 50 40 JJGB N#C/C(C(=O)N1CCCCC1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 33729432 YJZKRPXAGWIEHK-YWDBVWQESA-N 496.430 4.888 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F 33770861 XSUGMDPVDGZIBC-ZRGSRPPYSA-N 460.292 4.914 50 40 JJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 59720986 MQRRCJGMCFYICZ-AUEPDCJTSA-N 477.702 4.833 50 40 JJGB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1 102648013 SGTHSTZLBWKEHP-OUCVULTDSA-N 456.336 4.605 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1OCc1ccccc1 108288749 CVSGDZJMGMERBS-QFEZKATASA-N 498.333 4.638 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408677593 SGSNLIMPCQSXMX-PCLIKHOPSA-N 472.383 4.777 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1OC 408841498 HIDVPJJYJQWSJS-NSKAYECMSA-N 498.914 5.269 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 409130350 LMACTRTWJGZQQX-QFIPXVFZSA-N 481.346 4.851 50 40 JJGB COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1Cl 872600 ZGRLNYKACIEHNP-QFIPXVFZSA-N 460.921 4.926 50 40 JJGB O=C(N/N=C/c1c[nH]c2ccccc12)c1nn(Cc2ccc(Cl)cc2)cc1Br 1087035 MVHNKORJQJXNMF-YSURURNPSA-N 456.731 4.593 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)sc2c1CCCC2 1453378 MYSIQJCJMNYNJQ-UKTHLTGXSA-N 475.364 4.817 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 8722642 FUSHYCWZQSONOP-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 8780792 DBZOETHRMZBBII-GZIVZEMBSA-N 497.136 4.673 50 40 JJGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 30802554 KSDJBBYDIUQBSO-LQNQUEJISA-N 494.503 4.831 50 40 JJGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1c(O)ccc2ccccc12 59459348 SGCVTXJFYHLRCH-DHRITJCHSA-N 453.336 4.716 50 40 JJGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2cccc(Br)c2)[C@H]3CCC1 61996959 UKEZAPNEYDLMIN-RVWJGDDESA-N 465.395 4.556 50 40 JJGB biogenic Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)c1 96466147 MVMWDASXAYIOGA-POHAHGRESA-N 457.065 4.501 50 40 JJGB O=C(N/N=C\c1ccccc1I)c1cc2cc(Br)ccc2o1 408549951 CAOFJQBGWJEPEE-OCKHKDLRSA-N 469.076 4.564 50 40 JJGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br 408789929 SQCARGZFEXFTDN-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(C)c(C)c3C)cc2)CC1 408881160 IGUYEJLRWCJBFZ-NDZAJKAJSA-N 470.617 4.707 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1 409037041 XEJAUJHEKLLMFX-NTEUORMPSA-N 499.748 4.796 50 40 JJGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O 409040600 GZHIRPOYTBYHDX-BHGWPJFGSA-N 460.273 4.950 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCC(=O)Nc1ccc(F)cc1 409244828 JFLQEELFLZNDJB-IGCAKMCNSA-N 473.504 4.636 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)[C@H](O)c1ccccc1 409364888 NRCRIBBGUCRSBC-RNRKLAHPSA-N 473.754 4.865 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934921 RHWCXSZLXFENSY-NLTRVXJZSA-N 453.567 4.738 50 40 JJGB Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)c3ccc(Br)s3)cccc2c1=O 8852444 OHDKJDMFATVJEQ-UHFFFAOYSA-N 483.343 4.667 50 40 JJGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 13583703 AYHPRFXNNWPKGW-DIBXZPPDSA-N 471.586 4.884 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1 34771634 PRWOYMHUJNXIRU-VULFUBBASA-N 499.361 4.818 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 408607545 DOFWXDXQAWQRCX-GBYSFBBLSA-N 479.964 4.645 50 40 JJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC 408881639 LKNCFKSHIDXCJU-NTUHNPAUSA-N 482.705 4.898 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc([N+](=O)[O-])c1 408950359 JLDWPSPNSPLXGE-BKUYFWCQSA-N 453.502 4.750 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C 409269843 AAGOVJSCRQTYBZ-KGENOOAVSA-N 455.514 4.875 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 1843426 OAVUYIIWUIGKIQ-CVKSISIWSA-N 477.977 4.839 50 40 JJGB CCOc1cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC 9882660 GFXOJKNGSFBDPN-MFKUBSTISA-N 467.478 4.815 50 40 JJGB C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 13961610 HHQVMGHHSVNBAG-YSMPRRRNSA-N 450.882 4.963 50 40 JJGB Cc1cc(C(=O)Oc2cccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccccc5)c43)c2)ccc1[N+](=O)[O-] 22751690 LFKCLOKRQYXAMB-JOCHJYFZSA-N 493.479 4.731 50 40 JJGB CCc1ccccc1NC(=O)CSCc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 27233184 IWOBSLYCAZNAIR-NRFANRHFSA-N 479.993 4.716 50 40 JJGB O=Cc1cc(Br)ccc1O[C@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 169802229 BLLFLEXWBCJYNS-GAZPGATBSA-N 465.185 4.677 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408796366 XZEMYPICXKRQHZ-NTEUORMPSA-N 463.715 4.590 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)c(Br)c1O 408963059 MBEUEYVABQAPPT-QPJQQBGISA-N 496.077 4.709 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 409214226 RQDRRJVBRNDPPZ-LGJNPRDNSA-N 471.941 4.739 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2)c(I)c1 409231701 FSGUJBVTFBWKMH-QFEZKATASA-N 488.300 4.702 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 409267302 URBDYGQOWYWHTM-NDENLUEZSA-N 470.485 4.775 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCC(=O)O 409331320 AQAPIHXRCPNIKF-NSIKDUERSA-N 493.741 4.819 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1OCc1ccc(C)cc1 1469409 CLWUHMYHJPGBED-JFLMPSFJSA-N 485.500 4.645 50 40 JJGB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccccc3F)n2-c2ccccc2)cc1 2738856 XUIRPZQENSIFQL-MQRLXVCBSA-N 488.592 4.958 50 40 JJGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(NC(=O)c2ccccc2Br)cc1 14920538 BLJAQEDXALSJGI-VULFUBBASA-N 461.319 4.947 50 40 JJGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)S(C)(=O)=O)cc1C 20232640 UYCPICOBMGJSBB-MZJWZYIUSA-N 487.984 4.826 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1 33562872 HZAQYZGVALGNNA-XDJHFCHBSA-N 459.477 4.788 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)o1 33795664 MUNBTAYPKWGZCF-GDNBJRDFSA-N 497.301 4.874 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 58926025 CYVMILOJVUEOMC-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408603711 GXGCDOOEHVZFHG-GOSISDBHSA-N 491.411 4.576 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 408793151 DGAKFNJMSUVFCS-NTUHNPAUSA-N 479.714 4.510 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)c(OC)c1 408865875 GDLNDAZBFZHQPE-CIAFOILYSA-N 476.504 4.654 50 40 JJGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NC[C@@H]4CCCO4)o3)sc2c1 408987496 BFGPXUSAAGXLLL-SHRNQRGKSA-N 455.561 4.641 50 40 JJGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 409196000 YBULOEZQJILBOR-BOPFTXTBSA-N 470.323 4.902 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1cccc(C)c1 409219453 MTRMXKJAFYSZKO-UHFFFAOYSA-N 497.507 4.832 50 40 JJGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409225500 OYFVEQMWXJRCEA-YSMPRRRNSA-N 484.424 4.639 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409311093 YDJZJFPVWUUBPH-MRXNPFEDSA-N 459.930 4.588 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409359758 BWALVLZSWTXZKV-MZJWZYIUSA-N 482.924 4.788 50 40 JJGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SCCS1 409363073 KWAQLYZFBJSJHA-VXLYETTFSA-N 470.370 4.654 50 40 JJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc(Br)c2)cc1OC 409376179 VNRMECPHTZYTEK-ICXMQADFSA-N 469.763 4.818 50 40 JJGB CCOC(=O)COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 684786 NCKUMVGVHMAWII-VWLOTQADSA-N 492.535 4.699 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1O 2372713 LUIVSUUAEOAPDZ-VULFUBBASA-N 493.976 4.544 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NCc3ccc(Cl)cc3)cc2)cc(OC)c1OC 4108425 SUWZIBGCYGMDNS-JFLMPSFJSA-N 453.926 4.742 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 9262737 DBAZPTIUGAZXNN-UFFVCSGVSA-N 457.486 4.599 50 40 JJGB O=C(NC[C@@H]1SS[C@@H](CNC(=O)c2ccc(Cl)cc2)S1)c1ccc(Cl)cc1 41097464 NNUXBNTZFNUFCC-HOTGVXAUSA-N 459.445 4.934 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 59410832 XRLQKUJKQBLZNM-AFUMVMLFSA-N 453.882 4.529 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 59483247 VXAKCAXMOLDOHK-LFVJCYFKSA-N 460.372 4.887 50 40 JJGB COc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccc(OC)c(OC)c2)cc1 101673928 RAMYPUBFSIHMBK-IAGOWNOFSA-N 458.146 4.795 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I 408792591 LEDQEGMBGSFLRA-UKTHLTGXSA-N 452.679 4.889 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 408857950 NYLZWHCTYLOODW-MXAYSNPKSA-N 498.333 4.891 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409258561 YARAZBRWJDWYEI-STZFKDTASA-N 485.540 4.884 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1812589 ZNLUGTIYTQWHHE-MFKUBSTISA-N 451.596 4.514 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@@H](C(=O)OC)C(O)=N2)cc1 2311014 CIRWYFGRXWSLRQ-NHCUHLMSSA-N 499.976 4.689 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccc(Cl)cc1 8766731 LSRYSFTUFIPRLZ-DHRITJCHSA-N 465.966 4.720 50 40 JJGB Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1/C=N/NC(=O)c1cccs1 9442691 DTXHZDZPWLAZMP-GZIVZEMBSA-N 483.402 4.549 50 40 JJGB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1 9445455 OKUHLHULNVGNHW-UHFFFAOYSA-N 452.580 4.733 50 40 JJGB Cc1cc(I)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 13943715 VICGYAMHYSBZAQ-CFRMEGHHSA-N 486.309 4.501 50 40 JJGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 46084983 XLFIQDYHYMYZQK-IKPAITLHSA-N 455.558 4.865 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Br)cc1 59334389 VXWWAJITOSVBPA-NVNXTCNLSA-N 494.183 4.794 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 59383000 RVCWSSHRNTWPGY-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC 408786527 SAMAGPXNMYAVGB-ZROIWOOFSA-N 480.277 4.773 50 40 JJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 409376582 ZSPABUHDIKNSEX-ADXYVXIDSA-N 466.965 4.912 50 40 JJGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 681136 CLDNIYANXXMZBC-ZMOGYAJESA-N 450.340 4.577 50 40 JJGB C[C@H](Br)[C@@H](OC(=O)C(Cl)(Cl)Cl)c1cc2c(cc1Br)OCO2 1628443 DQMHUKQSZLJGFC-XUOSJQGZSA-N 483.367 4.916 50 40 JJGB CC(C)(Br)[C@@H](Br)CC[C@@](C)(Br)[C@H](Br)CO 5940644 KNNMIDQUZTUBJU-QXFUBDJGSA-N 473.869 4.613 50 40 JJGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 6166402 JQCBRISWNGSMTB-NMQDFBSDSA-N 463.390 4.601 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OCC 12276107 HTKMVBBZLRJWFW-FQRUVTKNSA-N 464.587 4.826 50 40 JJGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1nn(CCO)c(N)c1C#N 16449835 RTKROVVUWWBDSQ-VIZOYTHASA-N 488.762 4.933 50 40 JJGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 16735524 VMIJGBUCCUEQPJ-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)c1 26123471 QXHLUYIOOWXDDJ-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)o1 96835866 BQWHXMUPMGYKJV-KSEXSDGBSA-N 451.529 4.805 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 105056226 XNVARVTXIDIDQW-BTSCWMHGSA-N 459.329 4.765 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc4c(c3)OCCO4)o2)cc1 108997346 KNQSCWOFOCTUNZ-NTFVMDSBSA-N 471.513 4.801 50 40 JJGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)Nc1ccc(F)cc1 408569646 PBUFPXYEGVVMJE-YBEGLDIGSA-N 460.440 4.931 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 408611958 SUUUMXZMYSIWDZ-MTDXEUNCSA-N 475.545 4.542 50 40 JJGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2I)cc1 408769353 RXJODNQDPDPKBR-ZDLGFXPLSA-N 460.315 4.610 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1C 408908103 TXJYMYKMJHWWHP-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl 408947706 CWGDAYKHHNWRPQ-MFOYZWKCSA-N 486.355 4.682 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408960704 HSYDVXPNCANHOA-LSHDLFTRSA-N 454.782 4.927 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 409015803 BLLDKECHKDPQDL-RDRPBHBLSA-N 451.526 4.859 50 40 JJGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409228112 UFHMATKDLPDZGY-UYRXBGFRSA-N 457.368 4.902 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c1 409262649 GHQPPLYKDMPTRB-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)o2)sc2c1CC[C@@H](C)C2 1452890 OQTXCCDZQXOSFT-LWMMSDEHSA-N 463.353 4.951 50 40 JJGB Cc1cn(-c2ccccc2)nc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2180852 CUHHEIYHBORWNB-OGLMXYFKSA-N 493.596 4.671 50 40 JJGB N#C/C(C(=O)N1CCCCC1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 33729433 YJZKRPXAGWIEHK-SSXUBFHHSA-N 496.430 4.888 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1C#N 59427723 SUFBEUKDAXPFGW-WCMJOSRZSA-N 494.551 4.669 50 40 JJGB Cc1ccc([C@H]2[C@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 100692347 FUYVXXGYSZYRLE-VABKMULXSA-N 485.923 4.652 50 40 JJGB O=C(N[C@H](CSSc1ncccc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21 301320169 POIHHIXLTDNIII-LJQANCHMSA-N 497.554 4.722 50 40 JJGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1O 408599013 NQUAJMRBNQEFOT-KPKJPENVSA-N 463.300 4.929 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408609066 JGYPZRQXKOOGLX-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 408759288 BKIKBYMLYHDOQS-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC 408815256 IWENLTABUZEEMX-UNOMPAQXSA-N 455.352 4.808 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cc(C)ccc2C)cc1 408842476 OBMQKRYEIGOFCZ-MZJWZYIUSA-N 487.984 4.750 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408886293 JSVBQDJYTOOAGD-CAPFRKAQSA-N 462.527 4.707 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1Cl 408944300 UYILAPBJABWDNE-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 408972645 UCQXTZVRKIYVGY-ZMOGYAJESA-N 473.323 4.931 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cccc(C)c2C)cc1 409026445 PFWAJSYNEISEDH-CVKSISIWSA-N 469.994 4.611 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3c(C)cccc23)n1 409049207 YFPLDOLLQHSTJE-VYYCAZPPSA-N 457.603 4.956 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(I)cc1 409188856 GXVUUFXTPZLMDG-SFQUDFHCSA-N 459.331 4.665 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409211469 NTUMWWDDZHVVIO-MLPAPPSSSA-N 451.660 4.627 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1Cl 409262669 JLMWUIRMXJXEKT-DICXZTSXSA-N 481.936 4.529 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccc(C)cc2)cc1 1822697 YPAYYSGACJUCIS-PDSJQLAYSA-N 473.558 4.752 50 40 JJGB COc1cc([C@H]2CC(=O)N3CN(c4c(C)cccc4C)CSC3=C2C#N)cc(OC)c1OC 2205309 FQUCHPZZLJCZCY-GOSISDBHSA-N 465.575 4.549 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(C)cc3)nnc2-c2cccnc2)cc1 16789696 BYFNRUFLZYMHRX-USHMODERSA-N 486.601 4.669 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408603928 HLPCISCMIBWZEW-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408608258 GZAOTMOKQBWVSS-NSKAYECMSA-N 480.735 4.585 50 40 JJGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)cc1OC 408816023 KFBQMMSMGMZFHJ-OVCLIPMQSA-N 459.727 4.977 50 40 JJGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1C 408865728 DICHAERJOJRQMJ-JFLMPSFJSA-N 484.021 4.995 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2c1 408873993 YIKXPRBGRLPDIZ-DEDYPNTBSA-N 460.530 4.878 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc(F)c2)c1 408891527 RZCIXBPROZLCRZ-LICLKQGHSA-N 461.405 4.507 50 40 JJGB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409217754 BCTINAAZEXERST-UHFFFAOYSA-N 492.746 4.983 50 40 JJGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409225315 OFCMPRPRYTYIGX-FHCMCQOFSA-N 494.847 4.539 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409256669 MVCBYSGKOGXMTN-YSMPRRRNSA-N 451.910 4.520 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccn(Cc2cccc(Br)c2)n1 676247 GVKDNOYKLZHFIB-LSHDLFTRSA-N 452.139 4.765 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 714314 RSBRDCAHAXEYAG-NRFANRHFSA-N 492.988 4.513 50 40 JJGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 1814002 VTOBSFXQLXRLHW-CJLVFECKSA-N 458.562 4.695 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 3666917 FIFUDFHSDNFKIH-QFIPXVFZSA-N 471.542 4.712 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OC(C)C 9202372 WMXBBRVRULBIOQ-WSDLNYQXSA-N 466.319 4.549 50 40 JJGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1OC 13147917 OORHSDGLMLYTTG-MDWZMJQESA-N 487.169 4.567 50 40 JJGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccccc1Cl 16712157 WPMUNNWESQXLRD-OGLMXYFKSA-N 476.989 4.980 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(I)c1 59334158 OBTRQAIQCPXTJT-DHDCSXOGSA-N 466.706 4.519 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OCc2ccccc2)c1 59427801 KEWOMEBCXIUMHM-UXHLAJHPSA-N 461.521 4.884 50 40 JJGB CC[C@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@]21C(=O)Oc1ccc([N+](=O)[O-])cc1 103309075 WPCCEFXFLSUION-RMUDUWAUSA-N 475.428 4.621 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OC 408756706 UDFPIVPDJHNUMW-BHGWPJFGSA-N 459.262 4.568 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408783417 LDVMJFASMAMKHB-XAYXJRQQSA-N 493.629 4.746 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 408792638 BOMUPFIZHFJZJO-LICLKQGHSA-N 487.350 4.644 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1 408813980 FNCCJEVUCKAQRK-HAHDFKILSA-N 457.530 4.503 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 408933585 AYKMIIBLUPBXMQ-MOSHPQCFSA-N 457.442 4.506 50 40 JJGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(N(C)C)cc1 409011584 GMECSARCNYLBGC-MSXWIRNDSA-N 493.435 4.508 50 40 JJGB O=C(N/N=C\c1cc(Br)c(O)cc1O)c1cc(-c2ccccc2)nc2ccccc12 409031569 HKZZCOPNWVQSSP-MXAYSNPKSA-N 462.303 4.839 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)o1 409155326 QPVHMMSHGRYEJB-BTSCWMHGSA-N 482.924 4.721 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OC 409316449 XTFZLBUWQKPNSJ-WKIKZPBSSA-N 472.900 4.848 50 40 JJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1 883581 NGBVGMMLMUIRFC-DEDYPNTBSA-N 452.514 4.713 50 40 JJGB Cc1ccc2nc(-c3ccc(NC(=S)NNC(=O)Cc4csc(C)n4)cc3)sc2c1 2635109 TZBPEVBIKSZAFF-UHFFFAOYSA-N 453.618 4.597 50 40 JJGB COc1cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1OCc1ccc(Cl)cc1 3300526 KGADVGJLPLSEQT-UHFFFAOYSA-N 489.915 4.926 50 40 JJGB Cc1ccsc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 9014885 MNOVJRFNNBGTSK-AWEZNQCLSA-N 462.394 4.530 50 40 JJGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1C 9158929 OWBJEFVRIRPJHY-HAVVHWLPSA-N 478.552 4.678 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 13595298 NVJFJHNMMRMJPC-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)c1C 15081510 DWFRYMGAZAWTFL-PXLXIMEGSA-N 480.609 4.695 50 40 JJGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 16752357 QSTOADXMXUKEDW-BOPFTXTBSA-N 473.312 4.799 50 40 JJGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 20595437 PAWLMWHWDWLKLL-OQLLNIDSSA-N 473.323 4.563 50 40 JJGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 58912703 YRJRCXMRYSWTED-DHRITJCHSA-N 467.367 4.562 50 40 JJGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)c1 58913087 PCKAUTBMSBSRMR-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408876019 IQOKGLISFHCTCQ-AWNIVKPZSA-N 452.679 4.807 50 40 JJGB COc1cc(Br)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408905178 URZKZAUVIXTQBE-UKWGHVSLSA-N 471.149 4.693 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)CSc3nc(C)cc(COC)c3C#N)c2c1 409007374 OGGIIBRPSKTQKW-MUXKCCDJSA-N 492.601 4.601 50 40 JJGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 409220441 ZQGVVGZFSVWIRI-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 409258429 XALSIZSJWLUUEU-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OCC 409320536 BSHYYFBMQMLJMT-MIXAMLLLSA-N 489.572 4.964 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Br 1445311 BGKPAYCADLWBCO-VULFUBBASA-N 497.345 4.514 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(SC#N)cc2)cc1 2269520 RTQLGGYCJBBNQX-UHFFFAOYSA-N 490.570 4.706 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Br)c(Br)c1O 9259120 MNGMCYJHMWJUKC-UXBLZVDNSA-N 470.092 4.611 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)c1 12412357 KYVZXBYWFXPNPO-MLPAPPSSSA-N 479.714 4.510 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccncc1 13582118 SYXVRBVZKGOHDA-PKAZHMFMSA-N 476.993 4.924 50 40 JJGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240623 DAEXFYMVQPOILN-TWKHWXDSSA-N 469.585 4.831 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 34765970 MRSXTVBIKRNHHT-VULFUBBASA-N 454.910 4.709 50 40 JJGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408761707 KVYBBRHDMOSCAU-LFIBNONCSA-N 483.889 4.562 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccc(Cl)cc2Cl)cc1 409061054 BRUHZYATBNSLMT-VULFUBBASA-N 490.412 4.643 50 40 JJGB COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3cccc4ccccc34)cccc2[N+](=O)[O-])cc1 409219312 PKQVNOLHZRRVIK-YUMHPJSZSA-N 469.453 4.740 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1C 409264216 PUEUXPZGMXWJSM-HRMYGOSUSA-N 459.521 4.525 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)c1 409273047 UZRLBWYIWSWWKV-WGARJPEWSA-N 496.361 4.548 50 40 JJGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)SCCS1 409362406 JIULBMZRHBJKDU-VXLYETTFSA-N 470.370 4.654 50 40 JJGB COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O 409404852 RCEJEPHMAPGIPZ-UHFFFAOYSA-N 459.502 4.744 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 1434072 LBKCVCNVEUVGCF-QXGKLVPHSA-N 480.520 4.964 50 40 JJGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2)c1C 20243724 APJLYVBLJUXMOT-DHRITJCHSA-N 470.367 4.703 50 40 JJGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(I)cc1 59953618 XSXBQMPGVLITBM-UDWIEESQSA-N 458.752 4.718 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1 107955842 UKPGMLYVIPNPJW-XMHGGMMESA-N 459.477 4.788 50 40 JJGB O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408602331 CYNOZQMZFMCPJX-QGZVFWFLSA-N 453.901 4.554 50 40 JJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCC(=O)OC 409017005 CWFMYFFMCUGONM-ZMFRSBBQSA-N 470.909 4.529 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 409023677 BOXROVTZOJJRSE-CVKSISIWSA-N 494.375 4.868 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409133844 QSZNFEFZOUIHEH-JOCHJYFZSA-N 494.301 4.860 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 409195478 VITAOMPWFYKFLQ-ZDLGFXPLSA-N 499.361 4.701 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1O[C@@H](C)CC 409221140 LLNRIKHELVJZAS-QCXKMSLLSA-N 495.443 4.674 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1 409267058 RWUDOMUCECHQPR-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccnc1 694988 DJVJSOIZXKWSQO-PYWPZVNCSA-N 492.008 4.559 50 40 JJGB Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1 8842937 DXJJEYSBMWWKJG-IMRQLAEWSA-N 497.389 4.996 50 40 JJGB CCOc1cc(C(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc(OCC)c1OCC 8882515 ZXKMAYBXVFYXSJ-JFLMPSFJSA-N 484.984 4.853 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 9015791 JEVJIVGJFAKOSF-IMRQLAEWSA-N 487.585 4.589 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1cccs1 12859522 OUXPHUDFESAJQX-AFUMVMLFSA-N 452.532 4.512 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 28213720 PSRBIEKBTFLRCE-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1C 32186359 UDWBNNCIKYNPAP-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C)c1 34799696 VUXIMXMYUYRLMJ-WGARJPEWSA-N 467.909 4.837 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 59297412 ZZUSCROMGUGXLU-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C\c2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108089935 VGQJTGAFZMWRGM-MBTHVWNTSA-N 498.048 4.915 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408566591 HUNVIYSIHHQILK-NTUHNPAUSA-N 475.261 4.944 50 40 JJGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Br)s1 408844529 UBRYGKRPSLVISH-GZIVZEMBSA-N 489.342 5.422 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OC 408878754 DAFUIOGBWHDMTR-KPKJPENVSA-N 468.678 4.507 50 40 JJGB CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409036524 ROFGKYJHTIFUCM-OGLMXYFKSA-N 453.498 4.608 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Cl)cc1Cl 409149468 HCGGEGCXRKYRSD-PTXOJBNSSA-N 482.943 4.694 50 40 JJGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409222384 CAOSDSZAQYEPNW-MBTHVWNTSA-N 493.947 4.926 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(O)c(O)c1 2341752 TYZCDTVIWRILNF-FOKLQQMPSA-N 482.612 4.637 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2424768 UOGNZRHRXCTVET-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc([N+](=O)[O-])c1 9046499 AFBGTGYTIOROMO-KGENOOAVSA-N 473.605 4.680 50 40 JJGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc(Br)c1 20248641 YHVORWGITAZNCL-UDWIEESQSA-N 456.203 4.985 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1c(C)cc(C)cc1C 33777432 MGRISRCNZMSTIL-RWPZCVJISA-N 459.546 4.922 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 34720775 XRKLQXKAVZBPQY-LGJNPRDNSA-N 484.325 4.890 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 59333498 WYNRHULYCCGQMN-NVNXTCNLSA-N 464.157 4.786 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 59436890 FWHAWQWNWNKDEN-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 408588854 KCGOAOPZMDWPNQ-BHGWPJFGSA-N 476.758 4.988 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 408718771 HJBCBLUYIMRLDG-FVBFYHSKSA-N 451.523 4.849 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1 408774413 WFHOIYWQKCJXTE-UHFFFAOYSA-N 467.513 4.645 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(I)cc1 408782948 ZMXKQZQHMKZUGS-ZVHZXABRSA-N 486.357 4.529 50 40 JJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408811577 RGYIYXJFLHYSBB-GXDHUFHOSA-N 460.125 4.769 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(F)c1 409001850 WZOYQCRMFHICQW-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1 409261073 AWFQTNKVYLGYIF-UYRXBGFRSA-N 489.915 4.690 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934951 SMUCCMMTSQSZNN-FYAMCCBRSA-N 498.564 4.646 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 10058858 DHYKSQNMNCPORD-NLTKLDOMSA-N 475.501 4.857 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O)c([N+](=O)[O-])c3)o2)cc1 108975717 UZENCLAOBHEKKU-WGARJPEWSA-N 474.473 4.644 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408787617 CSWGYHYZWCZLRK-NTEUORMPSA-N 492.700 4.511 50 40 JJGB O=C(CNC(=O)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408820735 ZLURBPGNRQINHN-VFLNYLIXSA-N 479.367 4.877 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408908312 BNUFDBRIQXCFAT-WGOQTCKBSA-N 467.363 4.623 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 409013264 UAGJLUYQQOXOCP-UXHLAJHPSA-N 496.567 4.884 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1 409023720 DCYFWDMPWGDJIC-LQKURTRISA-N 489.519 4.613 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccncc1 409187560 RWTLZTREGGRNCH-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB CCCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2793847 KJDXZFSEFQLKQD-SJLPKXTDSA-N 482.576 4.576 50 40 JJGB Cc1[nH]nc2c1[C@@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2 8951335 BPLWBYBFDHBFAN-RXCMBHOCSA-N 452.562 4.590 50 40 JJGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1 12468168 WRGREMMUXBYBKE-PXLXIMEGSA-N 458.634 4.780 50 40 JJGB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc12 13017088 HNTMTMQDKDUARX-UHFFFAOYSA-N 490.516 4.781 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240437 XCVLHYKDIQNPKC-MTDXEUNCSA-N 491.433 4.531 50 40 JJGB N#CC1=C(N)OC2=C([C@@H]1c1cccc(Cl)c1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558269 YTUWOEHAMSWCHZ-JOCHJYFZSA-N 475.957 4.866 50 40 JJGB COc1ccc(C(=O)CSC(SCC(=O)c2ccc(OC)c(OC)c2)=C(C#N)C#N)cc1OC 34943460 FMYCDQPPSVQFGU-UHFFFAOYSA-N 498.582 4.512 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Br)cc2)cc1 59435322 BKJOWMURLWKEOP-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)c1 107934298 GMWALLBNEJCQFE-OYKKKHCWSA-N 451.504 4.836 50 40 JJGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 110215904 OEPHFQBVAMYWKY-YBEGLDIGSA-N 494.866 4.950 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)c(C#N)c1C 408546897 OPRVUZLFCJVMQE-VGOFMYFVSA-N 473.348 4.595 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409126198 AXWCFIUXENQWNA-OAQYLSRUSA-N 496.317 4.751 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1C#N 409193685 KRYSKTBUZZTCDX-GRSHGNNSSA-N 480.362 4.874 50 40 JJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccco2)cc1 409223272 GOBYJAIKJMQEPG-WGARJPEWSA-N 477.860 4.761 50 40 JJGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409238444 ACLPVAKWVDWCPI-WDZFZDKYSA-N 458.177 4.561 50 40 JJGB CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3c(C)c(C)cc1c32 2410983 LJUNXEPRQPQOFX-LJAQVGFWSA-N 477.568 4.712 50 40 JJGB O=[N+]([O-])c1ccc(Sc2ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc2[N+](=O)[O-])cc1 3227266 PNYZOOXLOURWQJ-ZDUSSCGKSA-N 456.807 4.555 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C)cc1C 9678797 GEHHCNFXIPAQJD-PXLXIMEGSA-N 460.530 4.976 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1 20175703 GXASOUFKWQEURO-FQEVSTJZSA-N 481.350 4.677 50 40 JJGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 33683798 WVRDZHJIZSRTIP-TUTDSIAXSA-N 473.323 4.879 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1 33918784 WSQLZXRGDQCTFX-YSMPRRRNSA-N 497.345 4.840 50 40 JJGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(OCCC(C)C)cc3)c3ccccc32)cc1 103041283 GFTCYCUGYXREHO-CCFHIKDMSA-N 485.584 4.866 50 40 JJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1 139495423 NLFBCGKNZXFEMA-WUXMJOGZSA-N 451.704 4.674 50 40 JJGB C[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2[C@@H]1C[C@@H](Sc1ccccc1[N+](=O)[O-])[C@H]2Cl 245231378 CJIRCQLSUKSMNK-IYWFSCDDSA-N 463.899 4.887 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCC(=O)OC 408788621 LQCRGQQWHWTUKK-VGOFMYFVSA-N 493.741 4.599 50 40 JJGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408840827 CAAVCWBZSRCDMT-UHFFFAOYSA-N 494.916 4.790 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)cc1)c1ccccc1 408982335 XQZUHDWGHNVBGG-MJHSOURCSA-N 459.546 4.902 50 40 JJGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1 409216965 QCNHEWHJTMYGOT-HAHDFKILSA-N 467.525 4.953 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409273311 XBKDQRRLKGGUMG-KGENOOAVSA-N 455.514 4.875 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OC 409326131 HDHYPCGKDQJKNI-QFEZKATASA-N 469.335 4.809 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@@H](CO)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953119790 PRKOBXIKZBKZHU-DHIUTWEWSA-N 483.725 4.571 50 40 JJGB O=C(O)c1ccc(S(=O)(=O)Nc2cccc(CP(=O)(c3ccccc3)c3ccccc3)c2)cc1 2445998 HXCKCSQLJNWAIG-UHFFFAOYSA-N 491.505 4.700 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3090297 AOIBSIYFXDLBGZ-LQKURTRISA-N 468.469 4.529 50 40 JJGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 16161678 OUHJSVKKQFNWQD-FDAWAROLSA-N 483.572 4.836 50 40 JJGB CC(C)Oc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Br)C(C#N)=C(N)O3)cc1 22531476 MYAYUWIYAKIIIU-GOSISDBHSA-N 451.324 4.845 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c(C)c1 59679690 IKCWJEJWIIEMFF-NKVSQWTQSA-N 457.486 4.653 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 97729842 LXFVQTMESXMSRF-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 107911725 HBIQJJMJSSWKNG-QGOAFFKASA-N 491.931 4.920 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3cccc(Cl)c3)c3ccccc32)c1 408542458 JOWAUMHIMDNEMC-MUXKCCDJSA-N 475.932 4.659 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C#N)o2)c(C#N)c1C 408546948 PESWDXCCFJVTIC-LICLKQGHSA-N 455.495 4.955 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408962019 FOGGBSSQHFQADY-YCPBAFNGSA-N 463.239 4.718 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 409005740 KRTWUAOWMKLUGE-RDRPBHBLSA-N 475.976 4.922 50 40 JJGB COC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)sc2c1CCCC2 409206745 WYQBSBZBRPKAAS-KZJCWCHPSA-N 474.586 4.579 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC(N)=O 409244198 ZGXJRGQDSNYEKJ-PXNMLYILSA-N 484.737 4.937 50 40 JJGB COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 409379361 WJQPMKMEIOTUNZ-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)CN1C(=O)CCl 1083103462 FROURAZTAXWESG-XHCCPWGMSA-N 499.007 4.955 50 40 JJGB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NNC(=O)C4CCCCC4)c23)C1 1377297 LAQMVNJJSYGRMB-CYBMUJFWSA-N 458.653 4.513 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1 2080875 FDOYMJPWGWWJSV-JZCUADNKSA-N 451.320 4.532 50 40 JJGB COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(C(=O)O)cc1 2163877 WXIHRGOLZYIVHD-KEBDBYFISA-N 478.508 4.981 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1 2238725 VFRLCVRAOXGTAW-DEOSSOPVSA-N 460.555 4.736 50 40 JJGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1OC 2310319 GRBOEEOQEYRHBF-XZOQPEGZSA-N 493.585 4.652 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccccc1 3154367 ORWIDIPFWPRJNW-ZMOGYAJESA-N 455.308 4.506 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccccc1 4196430 BHDBIOWKZXJYQD-MFKUBSTISA-N 453.336 4.730 50 40 JJGB O=C(NNC(=O)c1ccccc1Br)c1cc2c(s1)-c1cc(F)ccc1SC2 9317742 IEMCHGFHPIIQOV-UHFFFAOYSA-N 463.353 4.997 50 40 JJGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 13785811 LIDOYWARVSDXAA-WZLQQZPBSA-N 456.546 4.529 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 13939820 KLORSCLHDZGSJC-BKUYFWCQSA-N 483.528 4.758 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 20214090 MELGFECFYZLYOI-AFUMVMLFSA-N 492.384 4.702 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OC 28217847 IPCPDCBTSVPIBJ-LUILSVGHSA-N 463.397 4.795 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 32654838 QVXXIKIAIRBTQS-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 59676661 CCRNKEHAAFGGDB-NBVRZTHBSA-N 461.905 4.554 50 40 JJGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 109033378 MWLDJQOMUUFGBQ-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)Cc2ccccc2)c1 408718315 RMAIVGMABHTYJD-MFKUBSTISA-N 451.320 4.670 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408881538 NVKPOBHZBJNZDS-XMHGGMMESA-N 480.517 4.846 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1Cl 409108492 WGPQZVGHJQJGPQ-XMMPIXPASA-N 462.889 4.874 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)o2)c(Br)c1 409171251 ZQAXRKLAOLBBOB-DSKMXOTJSA-N 488.769 4.940 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccccc1Cl 409331175 CTHFBZGQNAHOMB-VPUKRXIYSA-N 495.992 4.977 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc4ccccc34)c3ccccc32)o1 409392125 LHCYAISCNUCMHN-RWPZCVJISA-N 451.482 4.986 50 40 JJGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)ccc1Cl 1305285 GKSGMMDURUCARK-PGPKDTDWSA-N 463.965 4.884 50 40 JJGB COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 2218791 JLOIILMFMXWBDP-QFIPXVFZSA-N 492.373 4.503 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1 8768016 YCXFIQRZNFGFBQ-FSJBWODESA-N 472.412 4.610 50 40 JJGB CCOC(=O)N/N=C(/C)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 12661263 VIKPJRPSXXRSGV-TVZIFIIHSA-N 458.599 4.750 50 40 JJGB biogenic Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)c1 46084815 VKMHNXHFUOYVRM-QVTSOHHYSA-N 485.584 4.617 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc(Cl)c1 408756039 QPNRTASNNRCDCZ-LFIBNONCSA-N 483.889 4.562 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)OC 408797311 RGCYUUBSZMJNKJ-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409360930 OALDYJSOJFNNKA-QFEZKATASA-N 482.334 4.938 50 40 JJGB CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 9160687 IGMVZWNGXVGMQQ-XMMPIXPASA-N 480.355 4.588 50 40 JJGB CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 9450944 DBWREDFLGVDLQT-ZZEZOPTASA-N 455.345 4.581 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)c(C)c1 16805158 XFDBZFISUTVQPT-HEHNFIMWSA-N 458.562 4.696 50 40 JJGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347661 OTIFEZQKWFTRQA-XMMPIXPASA-N 477.586 4.716 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1cccs1 20348255 DCTZQHJGZZIJCB-HXUWFJFHSA-N 481.643 4.792 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccccc1F 33681337 WXGBBHCDQFCMIB-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1 408608652 IANUJWLXZWFQBC-MUFRIFMGSA-N 477.536 4.627 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408646260 ILXJPGDJMUNOKH-RDTXWAMCSA-N 454.737 4.770 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC(=O)OC 408762761 QNCIUTDGBYUZPZ-WQRHYEAKSA-N 499.361 4.674 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408789682 QYDFGDUJUCOUCA-CJLVFECKSA-N 456.498 4.753 50 40 JJGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c2ccccc21 408864338 YTDLPDAPOVHFEG-LFIBNONCSA-N 451.910 4.721 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1 408924764 OHYMNAYHBDFCAN-GHRIWEEISA-N 468.918 4.662 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409056985 OBLQNLIPMUBFTR-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1cccc2ccccc12 409230665 FDXMIQXMRBAIIT-HMAPJEAMSA-N 455.514 4.648 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1Cl 409264131 OYWOPFVFFSBAFY-YKKQWCMESA-N 491.975 4.821 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1 409273525 YUROQVSWNWWYNJ-VKABLRQNSA-N 479.939 4.870 50 40 JJGB COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 664544 GLQGWQYPPGBCSL-UHFFFAOYSA-N 459.358 4.799 50 40 JJGB COc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 669283 YSMNKCQAUQWEDZ-HNNXBMFYSA-N 482.172 4.671 50 40 JJGB Cc1ccccc1N(CC(=O)N/N=C/c1cc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 8994029 PQLZQAQDPKJCOR-JVWAILMASA-N 492.988 4.542 50 40 JJGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 9144754 SAJXYSZCOBQYOS-WUEDZOSBSA-N 461.484 4.638 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 9762360 NUFMHIXPMSVLSL-XYGWBWBKSA-N 480.594 4.803 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 14165694 ONNDDFLJKWHADW-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C 27018950 TUVHMEAQHADDMQ-YVVITCHPSA-N 468.557 4.615 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccccc1Br 27345608 PYQALJOZZFMXKX-CPNJWEJPSA-N 491.341 4.900 50 40 JJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 28213562 CUQIHJOGAZODHL-NDPRVOFDSA-N 475.614 4.635 50 40 JJGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 31783219 COVMRBXYDQVYER-LWJJOXSESA-N 450.608 4.592 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccc(I)cc1 33347340 ILDVWEINXLWFPN-MXAYSNPKSA-N 497.258 4.794 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 105053045 GMBGKZCOPFZQGE-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245231379 CJIRCQLSUKSMNK-JAGIBUSNSA-N 463.899 4.887 50 40 JJGB O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)o1 408545261 XBTBESJJBUGMCJ-BHGWPJFGSA-N 466.291 4.507 50 40 JJGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408611964 SVOLDIUUFYFOSV-XODNFHPESA-N 490.774 4.992 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1Cl 408785432 YVYWIDMEGKZQGH-JFLMPSFJSA-N 479.989 4.871 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1 408806842 BXWYODFAHAXPMN-GZTJUZNOSA-N 457.324 4.959 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc([N+](=O)[O-])cc2)cc1 408809312 RJBNLQAGAFKXFS-CPNJWEJPSA-N 459.458 4.737 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1 408868887 QJMTWGXJPLZTTJ-JVWAILMASA-N 463.603 4.574 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408890776 YZDGZLSGSHCVBL-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)c1 408955603 XVUAQAUZCMNKCN-WDZFZDKYSA-N 471.092 4.809 50 40 JJGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 408997562 NDXFOGGIVAHPOJ-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCSc3ccc(C)cc3)cc2)cc1 409133378 MDVUJDBECQVUPA-WPWMEQJKSA-N 461.587 4.953 50 40 JJGB COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)cc(OC)c1OC 409222913 FLPMWWNKCLKALY-VYYCAZPPSA-N 482.920 4.657 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 409257122 QSWFGWWLXOEZKM-WGARJPEWSA-N 496.361 4.548 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1OCC 409311306 FVLWRTPRBGGXRT-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1 714306 KPWIOWCNKXTTJS-QHCPKHFHSA-N 486.597 4.639 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 1790326 UOGGUPMYBLGQSF-UYPHOHSBSA-N 452.750 4.558 50 40 JJGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc2c(cc1Br)OCO2 3092482 WLSGBKFXGYUXPK-AUEPDCJTSA-N 490.151 4.786 50 40 JJGB COc1ccc(Br)c(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 3174493 OZCNSVBJZCWPIF-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1Br 3254404 KEBPCGMVCRAJIH-UKTHLTGXSA-N 497.130 4.998 50 40 JJGB COc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2cccc(C)c2)c2ccc(OC)cc2)cc1 3616676 BGULBBBJACQHET-UHFFFAOYSA-N 496.563 4.626 50 40 JJGB C/C(=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 9334925 DUYKQOMEECPWPW-NTFVMDSBSA-N 454.357 4.782 50 40 JJGB Cc1ccc(NC(=S)NNC(=O)c2cccc(NNC(=S)Nc3ccc(C)c(C)c3)c2)cc1C 9616400 CCUXIDRTQJZABP-UHFFFAOYSA-N 492.674 4.865 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19948982 VQVUEZASSPQXON-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c1 20558275 KAIQXIPROAFTHH-QHCPKHFHSA-N 455.539 4.522 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1C#N 59427764 UWLPWGZHAIEZMN-NSKAYECMSA-N 473.316 4.504 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc(I)c1 59457057 QSVBLRSKUBWLBO-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC 59474985 KDMNJTIABHJCGE-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccccc2F)c1)CCCC3 408729277 AUCLHLZXFPSBAI-VYYCAZPPSA-N 460.534 4.537 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 408798680 WMPQWHYEJFUNDW-FOWTUZBSSA-N 461.430 4.586 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408882008 PMEVVLMDCAFANZ-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408975780 NGDGXDVVZATFAG-FLKNIFQJSA-N 456.329 4.720 50 40 JJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409363641 XDWBAWHYCLEJMK-LGJNPRDNSA-N 456.315 4.729 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1 714304 KPWIOWCNKXTTJS-HSZRJFAPSA-N 486.597 4.639 50 40 JJGB CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2OC)nnc1-c1ccc(Cl)cc1 2337992 OYEOISOAJXLSKZ-NVMGMXFGSA-N 455.971 4.535 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 3116504 DCRPRKVELRDBBU-VULFUBBASA-N 466.335 4.539 50 40 JJGB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2)n1 13553012 VMJJGWUOVCMCBY-STZFKDTASA-N 475.574 4.563 50 40 JJGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C\c1ccc(F)cc1 33713337 QQNSPSHTQCMLBF-YXSASFKJSA-N 463.532 4.566 50 40 JJGB O=C(CSSCC(=O)Nc1ccccc1OC(F)F)Nc1ccccc1OC(F)F 48314723 BWAXHQANNZCYCL-UHFFFAOYSA-N 464.462 4.848 50 40 JJGB COc1ccc(C)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 59437072 HYOIPSPKWBOGDV-UHFFFAOYSA-N 485.650 4.907 50 40 JJGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1 107666141 PCQYKUAVIGDEIU-WGARJPEWSA-N 496.361 4.548 50 40 JJGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408608179 GPZJDZUNFUZWDS-MUFRIFMGSA-N 463.965 4.809 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OCC 408719823 MLZJRUUPVRVQNA-WSDLNYQXSA-N 451.386 4.630 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c(F)c1 408963697 AIBOTDCYFNVYJE-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 409007873 QYCKFNDVIYWPMS-OKCVXOCRSA-N 488.588 4.590 50 40 JJGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1 409100015 PFPBWQODQHACKW-DNTJNYDQSA-N 476.552 4.733 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409259868 GVBVPXJFGMVMKL-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OC 409322762 KWGLVDAHCOXMHX-MBTHVWNTSA-N 494.931 4.955 50 40 JJGB CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 714341 PQVUSVXUGQCLFW-FQEVSTJZSA-N 451.324 4.560 50 40 JJGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OCC)cc4)c32)cc1OCC 9280830 FSZLISOZPLCTEO-JOCHJYFZSA-N 460.534 4.881 50 40 JJGB COc1ccc(C)cc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 16291005 HHMLWFMETOWNFD-CPNJWEJPSA-N 468.513 4.970 50 40 JJGB CCCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195288 NCRDCSVMCNZTQP-ZVHZXABRSA-N 494.373 4.788 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 34707371 FXMSMFNGRCMNES-HMAPJEAMSA-N 490.531 4.696 50 40 JJGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3c[nH]c4ccc(OC)cc34)c(-n3cccc3)c12 78549396 FYCFNDRCWUNQAQ-UVHMKAGCSA-N 473.558 4.796 50 40 JJGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408893084 FDGNFDPVPBIAQE-RQZCQDPDSA-N 455.386 4.713 50 40 JJGB C[C@H](C(=O)NN=C1CCCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026555 SCEYTYMZCYVCDM-LJQANCHMSA-N 457.596 4.850 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl 409240928 VMLFITTXVQTXQG-WQRHYEAKSA-N 461.345 4.591 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409253706 YBBPXMWGVKYSMB-WWTGGXICSA-N 465.912 4.561 50 40 JJGB COc1ccc(C(=O)O[C@H](c2cc3c(cc2Br)OCO3)[C@H](C)Br)cc1 1628453 FNMUELKAMVRZFZ-BTDLBPIBSA-N 472.129 4.868 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 2236487 NBNKTCDGSNLGEU-OGLMXYFKSA-N 486.597 4.725 50 40 JJGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2330039 ILRBIPQEMQORIO-IEQIIXMPSA-N 467.594 4.780 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1C 3116336 IVSWJCGICMRSOI-VULFUBBASA-N 481.346 4.814 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 3277366 SJUQLTGLKQJAKK-YZSQISJMSA-N 485.009 4.751 50 40 JJGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 3287396 YSSFKZFRTAISLU-LQKURTRISA-N 454.482 4.675 50 40 JJGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 8934995 SVUUZLUQKHNIPT-SBQJLXCYSA-N 478.552 4.533 50 40 JJGB COc1cc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 9015933 OLIFPIBKNYBEPS-NTCAYCPXSA-N 461.499 4.919 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 33730342 ZAZOZNSRPCIGTA-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2OC)cc1 34735923 BBZAZFNTHOOUGW-AQTBWJFISA-N 491.931 4.920 50 40 JJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 59417041 ZSUSONAOBCONJQ-DHRITJCHSA-N 464.934 4.678 50 40 JJGB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103918334 LRWGUEMXSQSCEC-PLRJNAJWSA-N 497.555 4.824 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409229050 IZAGCCGBTZAPLJ-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1C 409262287 GNNWYRXOBOLQIM-STZFKDTASA-N 455.514 4.875 50 40 JJGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1 2246394 GGETULYJKSLRDT-FXBPSFAMSA-N 458.587 4.807 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1O 2353733 HYTSDYZLULMJNI-WSDLNYQXSA-N 456.618 4.507 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 13142382 RSNWBYQKMKHGQZ-NTFVMDSBSA-N 454.482 4.646 50 40 JJGB COc1ccccc1/C=C\C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 19861234 WYIDXVZAPZNCIF-GXJLZYMOSA-N 484.581 4.610 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 20214626 ZISLBTPXNDEOHE-FSJBWODESA-N 482.414 4.709 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914384 YHVFUWYFMXTRGY-GATIEOLUSA-N 450.709 4.673 50 40 JJGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3cccs3)cn(CC(=O)NC3CCCC3)c12 59087066 NVXZWPBVKXTSRY-CPNJWEJPSA-N 460.603 4.547 50 40 JJGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c1O 67197056 JQPBRHYKLBVNIK-QPJQQBGISA-N 452.121 4.934 50 40 JJGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 97656224 JLROKPZTFWDFHS-BOPFTXTBSA-N 456.479 4.695 50 40 JJGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCOc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 102769576 GCBRRCPIPHCRCM-TVKQRKNISA-N 485.584 4.617 50 40 JJGB Cc1nc(SCc2ccccc2)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 102937859 KXIDSLVWMMTSMC-UHFFFAOYSA-O 493.592 4.990 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408608669 ICMXMHNUEYDLFX-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB C/C(=N\NC(=O)CSCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 408727602 QXDJRFRSSMDLFM-YZSQISJMSA-N 462.531 4.621 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 408911019 YCZPZTLPSTVLQF-WPWMEQJKSA-N 461.518 4.964 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(F)c1 408965414 HBYQHUNQWWLTDW-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1 409065053 FWFVZLHFXUZIMD-DEDYPNTBSA-N 466.946 4.640 50 40 JJGB N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409078575 IWLYFQWIGKCKGD-LFYBBSHMSA-N 482.084 4.647 50 40 JJGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409242004 TXYPDLBWSRNWFK-ZSOIEALJSA-N 497.267 4.955 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409261973 FSASSMYGWSWAHJ-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 3058861 GEGUBDHUXLCJLJ-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 3666918 FIFUDFHSDNFKIH-JOCHJYFZSA-N 471.542 4.712 50 40 JJGB C/C(=N/NC(=O)COc1c(C)cc(Br)cc1C)c1ccc(Br)cc1 4018480 NWGALPCDLBIPFG-BKUYFWCQSA-N 454.162 4.748 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 13921683 CYFIKLLWWFHJJS-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 408771981 MCGLSRUMZJUYJJ-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(F)cc1 408772563 NDILMGLMCKMDMX-FSJBWODESA-N 461.278 4.602 50 40 JJGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408905170 UONBZUZESYSXRZ-FMCGGJTJSA-N 491.372 4.714 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)c1 408989428 HRMJOJFCQDMUBN-QGOAFFKASA-N 483.513 4.576 50 40 JJGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1 409225865 RRVWCQCYTQQYTR-MXAYSNPKSA-N 453.882 4.511 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c(O)c1 409393728 ZNKGMDQGSGUEEP-WYMPLXKRSA-N 456.340 4.643 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 1304911 CNKAIRLXJBDOIR-JVWAILMASA-N 487.585 4.502 50 40 JJGB O=C(O)CCC1(CCC(=O)O)c2ccccc2-c2ccc(N(CCCl)CCCl)cc21 1668817 WIDUEAUVPVKKLB-UHFFFAOYSA-N 450.362 4.967 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCc1ccco1 4196103 RGMJGXCPZBEYSZ-LICLKQGHSA-N 482.290 4.753 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccncc3)n2-c2ccc(Cl)cc2)cc1 8838287 KYEJSSAASKATJB-YUMHPJSZSA-N 492.992 4.624 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccs1 12648392 LPSYGALJUXLTBM-OEAKJJBVSA-N 482.414 4.791 50 40 JJGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccccc2OC)c(OCC)c1 13881221 AWHUARITZIHIGU-SFQUDFHCSA-N 490.350 4.784 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(CC(=O)OCC)cc3)c2C)cc1 20197760 IWVNGGIJESWDGW-MTDXEUNCSA-N 461.562 4.752 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248605 MQJTZYDDHGCUGI-KIBLKLHPSA-N 474.300 4.561 50 40 JJGB Cc1ccc(NC(=O)N(CCCl)CCCl)cc1NC(=O)N(CCCl)CCCl 104383191 NHYKADVLHBPKCW-UHFFFAOYSA-N 458.217 4.618 50 40 JJGB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 245380333 WMVYBBWDFRHJPT-MQMJJFLRSA-N 478.505 4.851 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1 408796278 XRAGWETWFLBXRY-HZHRSRAPSA-N 451.482 4.860 50 40 JJGB Cc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)n1-c1ccccc1 408978304 HXVJGTOESIFSQA-BUSZIJHZSA-N 490.604 4.654 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409005486 DSFUULNHRSIEFI-QNGOZBTKSA-N 455.514 4.957 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)c1OC(C)C 409020540 QHOCFXCTOPAVTG-FOKLQQMPSA-N 461.312 4.764 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409064018 BFQCMFXJNSNRMO-LDADJPATSA-N 482.945 4.970 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cc(Cl)ccc2OC)cc1 409224779 MRXFYUSQEIFXFD-ZMFRSBBQSA-N 473.312 4.994 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409336156 MRPFRVUSCOIJDJ-SGWCAAJKSA-N 498.048 4.698 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc1 1902245 FUSVDHUISBYNOM-JVWAILMASA-N 471.586 4.802 50 40 JJGB C[C@H](NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 9469921 GXFWIUAHRJHXCB-FLKQJBRMSA-N 460.361 4.775 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739786 IJPISXVNTLAGTA-QPQMVVSWSA-N 457.555 4.639 50 40 JJGB COc1ccc2ccccc2c1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 36235444 WUUYSASENTWASK-XYTDCWDNSA-N 492.579 4.836 50 40 JJGB Cc1ccc([C@H]2[C@@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 97949607 FUYVXXGYSZYRLE-VJBWXMMDSA-N 485.923 4.652 50 40 JJGB CC(=O)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 107857736 JYGBXGBJMUSKRQ-NTFVMDSBSA-N 471.513 4.955 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408793618 FQQKKQDGGZIKLY-DEDYPNTBSA-N 479.458 4.946 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408898501 WJZOQRBHUSNVKV-CAPFRKAQSA-N 462.527 4.707 50 40 JJGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccccc2Cl)cc1Br 1950242 FNZJYBKIUKEBOK-ODCIPOBUSA-N 459.569 4.736 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC3=C2C(=O)CCC3)ccc1O 2203764 KYNZZLCGEIJTPF-DEOSSOPVSA-N 475.570 4.510 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1I 9057227 GFDIHPVYNFAVIG-MDWZMJQESA-N 497.130 4.998 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1OC 20243864 GNKIFGZNHRRFNS-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 22531021 JSXBHYNKUPXSBU-WUBIRZFMSA-N 450.926 4.603 50 40 JJGB O=C(CCSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28214855 WPSYNUNXETYFCO-WGOQTCKBSA-N 467.978 4.990 50 40 JJGB CCc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 31875837 QYVMURJKTIWSLR-PKAZHMFMSA-N 471.586 4.748 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 34869704 SSBBMYWFEDMVOQ-VULFUBBASA-N 464.591 4.563 50 40 JJGB CCS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(OC)cc1 59490222 VPXVYMMCOGDPJQ-UHFFFAOYSA-N 451.633 4.628 50 40 JJGB O=C(COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 107842120 SZIRXWPTSYXFPL-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1 408568375 JEFOJQJIJBAZTB-AFUMVMLFSA-N 482.583 4.741 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408870881 UYOWZQQBAZCGMX-LFYBBSHMSA-N 472.204 4.864 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(F)c1 408961568 NHRZIQGUIBRALL-LGJNPRDNSA-N 463.421 4.832 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409004626 AXXRFCTVGPNNOW-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409048142 QMFLFZUPJNOVQG-LDADJPATSA-N 461.905 4.912 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc4c5c(cccc35)CC4)cc2)cc1 409143421 CAOLUGKQXPEPKN-RDRPBHBLSA-N 483.593 4.836 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(I)c3)c2C)cc1 409186903 JGYBDVIUDBKEOR-ZVHZXABRSA-N 487.341 4.861 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c(C)c1 409234190 NCHBMRMIECPDKL-UQQQWYQISA-N 455.558 4.845 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 409253636 UXIHJKMUFMUCGE-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1Cl 409264130 OYWOPFVFFSBAFY-BLLKKSLCSA-N 491.975 4.821 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1OCc1ccc(Br)cc1)OCO3 3628418 DPUIZYXLJWHAHY-QHCPKHFHSA-N 477.314 4.975 50 40 JJGB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 13765222 TYDIZZPWBSYUAN-DQNJVQBHSA-N 477.586 4.702 50 40 JJGB O=C(N/N=C/c1ccccc1O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 14165645 ONPCNXFBWQOYCQ-TURZUDJPSA-N 485.565 4.552 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28213994 YLFVBCWNKYHUKN-LGJNPRDNSA-N 472.328 4.540 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Br)cc1 30822017 PKQLVPJBJPMLLS-WGARJPEWSA-N 485.309 4.970 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(C)cc1 35316331 NFEHTMFNIPCKNU-HXUWFJFHSA-N 481.350 4.595 50 40 JJGB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 408817827 UOWTXUJUPLZUAH-QGOAFFKASA-N 452.352 4.512 50 40 JJGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 408868786 BIBRYNNADALODO-WCWDXBQESA-N 454.461 4.634 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1C 408879382 FQRDBFNOQYNKIJ-NUGSKGIGSA-N 481.361 4.515 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc(Cl)cc1 409049918 YQQKQICPGUYNIX-DHRITJCHSA-N 469.881 4.695 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 409050640 YBBDLIASHAUYMB-NTEUORMPSA-N 455.297 4.687 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@@H](CN)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953075600 JPABGQWTUJHPME-DHIUTWEWSA-N 482.741 4.537 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1OC 2295566 AELOJFDIJYLQLE-MRXNPFEDSA-N 492.384 4.721 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 8812715 PFDGXQNZEDZDLA-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB Cc1cccc(NC(=S)NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C 9910393 QNJZORQIOWSKDO-JOCHJYFZSA-N 481.021 4.836 50 40 JJGB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1c2ccccc2cc2ccccc12 23469458 SWENLGQMBKBCOF-UXHLAJHPSA-N 471.004 4.914 50 40 JJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 26966456 KGDKHCUPAIYJNL-HMMYKYKNSA-N 456.937 4.503 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)NCCc1ccccc1 28214895 CJXCFTNPZTVHKC-RDRPBHBLSA-N 496.032 4.710 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC#N)cc3)o2)cc1 33731558 JJSICOSWRABGDH-RHANQZHGSA-N 468.513 4.932 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408609107 JKHNFKFTOPIYCE-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(Br)cc1 408719847 NHIXYCFFLYSGBH-UDWIEESQSA-N 456.203 4.985 50 40 JJGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 408777856 KHUDDEJPZHTIKG-DHRITJCHSA-N 496.803 4.992 50 40 JJGB COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 408989209 SNQBJZQLGFOQOC-WUXMJOGZSA-N 497.676 4.716 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408995130 JIMLZCLGZLCNPY-BHGWPJFGSA-N 461.305 4.838 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 409255439 ZTIPITQMQVPJRM-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1 409266759 YGEOGBFBKDYPCI-UEAGUAMBSA-N 495.938 4.570 50 40 JJGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(N)=O)N1 841901 SYUXNOMLWWONNG-HXUWFJFHSA-N 473.385 4.547 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 3090498 HMFKCYPWAXDBPT-RWPZCVJISA-N 489.519 4.668 50 40 JJGB COc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C 3431799 OQLZAMQRPBDMAF-DJKKODMXSA-N 489.484 4.528 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 9110594 RRISAKXYYSNNRB-ODCIPOBUSA-N 454.111 4.616 50 40 JJGB CCn1c(SCC(=O)N/N=C(\C)c2ccccc2O)nnc1-c1ccc(C(C)(C)C)cc1 12463282 UTMWDRIBBHWVEX-PCLIKHOPSA-N 451.596 4.601 50 40 JJGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12560735 GMWNCJLKWWYXBI-GOSISDBHSA-N 494.660 4.911 50 40 JJGB CC(C)(C)c1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc(C(C)(C)C)c1O 15133624 BMUFQHVEUZDLSG-UVHMKAGCSA-N 488.426 4.630 50 40 JJGB Cc1nnc(SCC(=O)N/N=C/c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)s1 16158170 CNTHEJNQZANTFN-MFKUBSTISA-N 484.647 4.844 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1Cl 16712653 MMKCUVPTOVGALU-RGEXLXHISA-N 464.953 4.651 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 20197279 QRUBGHWCNSLPBF-BUVRLJJBSA-N 464.434 4.848 50 40 JJGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 28214532 BLJCYVKWIFGZHX-XIVOGXDVSA-N 475.614 4.715 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 33482798 OSMIDJOIWASFQL-NVNXTCNLSA-N 470.323 4.649 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58911901 YLXYIRSPADMUGO-WEPAEKJRSA-N 457.361 4.728 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 59272269 GQBMIPDWAFUEFP-RGVLZGJSSA-N 491.341 4.980 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OC(C)C 408912595 RDMBUBRMNHXCDD-OGLMXYFKSA-N 466.965 4.912 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 409025991 CVMIBTCECMDVJY-VFCFBJKWSA-N 493.629 4.774 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409168972 OMIASOJWWDTSHY-BLLKKSLCSA-N 491.975 4.821 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 409194452 CBZATAFTNLSBMS-WSDLNYQXSA-N 456.498 4.616 50 40 JJGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c1 409316119 XRVICCGSYDUBSU-GOSISDBHSA-N 470.392 4.777 50 40 JJGB O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 2391039 DPQKQTHUEOUIMN-XMMPIXPASA-N 458.470 4.914 50 40 JJGB O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 5329567 QVYMFFWFPNICED-AATLWQCWSA-N 473.976 4.570 50 40 JJGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)cc1 13174077 MCILOAUWMDXLQC-JOCHJYFZSA-N 478.599 4.507 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1Cl 16712647 SQSDSMOXINJCJW-DUBROFONSA-N 476.964 4.794 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 20348468 MMDZKTZZGSISCY-DEOSSOPVSA-N 494.016 4.815 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2)cc1 408777570 CHMLPAJHKVIFSP-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCC#N 408793413 FFMKAIMNPORSCJ-LICLKQGHSA-N 454.324 4.913 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408831849 WYRCWWJTYSNPKD-MFKUBSTISA-N 488.034 4.716 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(OC)c1 408883145 RQYWJNWNJMDHGQ-WOJGMQOQSA-N 477.448 4.876 50 40 JJGB CNC(=O)/C(C#N)=C\c1cc(OC)c(OCc2cccc3ccccc23)cc1Br 409087499 CTAFSYFGXGRQAB-ZDLGFXPLSA-N 451.320 4.843 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1 409259079 ZNPMPHOGOFDKBN-QFEZKATASA-N 466.335 4.539 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1 9289422 GUAIBIUENKTNRG-MFKUBSTISA-N 453.336 4.730 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(F)cc1 9614405 PJLUHRDIKSFFCC-RWPZCVJISA-N 464.493 4.590 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc2ccccc2c1O 14361287 DOTKYLKOGUCOSW-NAQVTHFRSA-N 473.573 4.868 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCC 35494370 PZAOGIFKZVLHEF-UUYOSTAYSA-N 484.188 4.702 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408761549 GOYXGHVYPOIVLC-DHRITJCHSA-N 473.583 4.994 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408926747 YCDLHOXATHJJSN-DHRITJCHSA-N 465.918 4.943 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 408980909 UHHMYEWKDKWVJJ-MRAZWZEMSA-N 463.509 4.732 50 40 JJGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)sc2c1CCCC2 409000979 ZLKMXHMNDQDRIX-YUMHPJSZSA-N 463.603 4.904 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccccc1C#N 409134255 NXOCWXKJLGMUCH-JOCHJYFZSA-N 476.330 4.715 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225650 NITDFHNAPJHBMZ-KGENOOAVSA-N 489.959 4.980 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C(F)(F)F)c2)cc1 409226573 URZMQYCLCVXNSU-WKIKZPBSSA-N 471.391 4.905 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OC 409312842 NVOFTVWPZUGNEU-QFEZKATASA-N 469.335 4.809 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OC 409324166 SKNBDFVDMRSMDL-VYYCAZPPSA-N 482.920 4.788 50 40 JJGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 1790376 SQQCYHCTBYGNLX-LCJWNIEWSA-N 466.777 4.819 50 40 JJGB CCCCCC[C@H](C)NC(=O)CCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9850350 SRYMJTDUTZUBGL-ZDUSSCGKSA-N 483.453 4.741 50 40 JJGB CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 20558659 IFPNGEVBOUZQHZ-VWLOTQADSA-N 499.592 4.920 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccccc1C#N 26123544 LZPLZMLTBLWYDV-VULFUBBASA-N 464.319 4.672 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc([N+](=O)[O-])cc1 59105000 ICGMIJLAMIOHLZ-KGENOOAVSA-N 453.502 4.750 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 105056222 XNVARVTXIDIDQW-XFBJJFJZSA-N 459.329 4.765 50 40 JJGB COc1cc(C(=O)N/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)ccc1I 208202660 KVGZXOUNRQGIQZ-GKBXUSSOSA-N 491.373 4.786 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1OC 408725906 QVPYYIFLULXREJ-OGLMXYFKSA-N 454.530 4.937 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(F)cc1 408784336 QMUMYXFACBLPRM-MFOYZWKCSA-N 461.331 4.997 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408963304 BKEPUFBYTJKJFG-AUEPDCJTSA-N 453.794 4.717 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OC 409006253 IJTUYCVNVOQNQI-NHDPSOOVSA-N 472.710 4.506 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 409008644 ZFXHUXGBBWPPMY-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)COc1ccc(Cl)cc1 409110347 UWHDUJUTQQKCPE-MXAYSNPKSA-N 498.948 4.887 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)c2C)cc1Br 409149994 XQUQZIANDZJVQV-FOKLQQMPSA-N 471.311 4.543 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)cc1 409194082 NMGJHIOGJSPWQW-RPPGKUMJSA-N 460.292 4.914 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1 1841451 SXEFBIFXBOURHB-AUEPDCJTSA-N 452.342 4.653 50 40 JJGB COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1OC 2762601 YYBABXCIXXOXDE-OGLMXYFKSA-N 454.530 4.749 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9056962 UQGFBFKHYDXQPN-IPPBACCNSA-N 482.418 4.757 50 40 JJGB CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2F)c2ccccc23)cc1 20558550 UEIRPDMIGFRQOZ-XMMPIXPASA-N 487.556 4.915 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(O)cc1 408569899 QXGKBLFLDJWULG-AFUMVMLFSA-N 467.616 4.807 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccco1 408841235 DPFLICNOVOJANV-JVWAILMASA-N 487.468 4.507 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(OC)c1 408866925 KBQBPODNJKUHQL-OQLLNIDSSA-N 467.865 4.749 50 40 JJGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 408908097 TWQZCPJJXMCSIT-UHFFFAOYSA-N 487.931 4.990 50 40 JJGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N 2239256 ZIAYGQVUWRKZKY-QGZVFWFLSA-N 456.365 4.677 50 40 JJGB COc1ccc2nc(/C(C#N)=C/c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)[nH]c2c1 9263559 CJRAQXUUDNETQC-SFQUDFHCSA-N 472.476 4.801 50 40 JJGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1OC 9292893 CFCYHHCRCILZIJ-GOSISDBHSA-N 456.424 4.721 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(C)c3)nnc2-c2ccc(C)cc2)cc1 30742549 QAOHIUDBIGLJRK-YUMHPJSZSA-N 471.586 4.802 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Cl)c3)nc3ccccc3c2=O)cc1 32577044 JRPWOHIDBYCNHT-WGARJPEWSA-N 462.962 4.590 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 35126138 UXBJATFMIIIHQK-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1 408602614 DYBYKJHVVIPZFJ-KRWDZBQOSA-N 483.927 4.563 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1 408767186 JSLZVTBXIVXCLT-IDUWFGFVSA-N 458.743 4.985 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cc(C)cc(C)c2)cc1 408768539 GWFIOHRNDQUEDS-CVKSISIWSA-N 469.994 4.611 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408792934 CDDZXHLNGWLCFC-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC#N 408857424 UZMWBACCDBXBEV-RMORIDSASA-N 462.687 4.524 50 40 JJGB Cc1c(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc2n1Cc1ccccc1C#N 409017345 MVFSPNUPAOHWPX-KYHGBAKBSA-N 473.536 4.947 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409049212 VPURJYZQDPVVNU-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])c(C)c1 1107293 NUQORQIJVNCVLA-DEOSSOPVSA-N 489.528 4.942 50 40 JJGB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCBr 9296531 FTYIQSWBDPMITP-SFQUDFHCSA-N 450.379 4.875 50 40 JJGB CCOc1ccc([C@H](C)NNC(=O)C(O)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1 9435864 OVUKAZGYVLJJOS-FQEVSTJZSA-N 478.589 4.501 50 40 JJGB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9514022 WGEVEBBXZSIJCQ-UHFFFAOYSA-N 452.210 4.530 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 33458115 ATHFIBJCAWEREB-UYRXBGFRSA-N 459.477 4.706 50 40 JJGB C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 34781782 PZZBOYGIKVODFN-YQYKVWLJSA-N 469.585 4.982 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408529959 KPEFANNWUDJCII-MZJWZYIUSA-N 482.378 4.907 50 40 JJGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 408737912 JZKGPFQXFIBLRV-VULFUBBASA-N 464.319 4.672 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)cc2C)cc1 408771910 LFFKCVYNGDEIAG-CVKSISIWSA-N 469.994 4.611 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br 409372537 MESOMIKNAXMQNQ-VULFUBBASA-N 493.317 4.501 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)OCC)o2)cc1 1453965 HUWGDGFOXASFSQ-XDJHFCHBSA-N 458.470 4.846 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3168000 IHSRJZAGZHUYPR-KEQPYLSLSA-N 482.323 4.643 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1Br 9434441 KIMQPMFHSYYYRN-WSDLNYQXSA-N 485.250 4.822 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)cc1 12411716 RPFZDNFSJKNNOE-WYMPLXKRSA-N 496.247 4.928 50 40 JJGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 58913228 JVHOZVQNMSFXNI-BRJLIKDPSA-N 487.785 4.907 50 40 JJGB Cc1oc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Br 58926474 MIQKNGXQRJAFPZ-HQQBKKBHSA-N 498.402 4.889 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC#N)cc2Br)cc1 408796142 XCNCFPBVXJAHOZ-LFIBNONCSA-N 470.323 4.695 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)c1 408969704 SFAQPWGNIFUCIN-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc12 408981144 UWBLQIWHJPWCNR-LBYSXPAKSA-N 451.526 4.860 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C 409253423 ULXGPXILBYOXTC-JCMHNJIXSA-N 458.518 4.667 50 40 JJGB COc1ccc(N[C@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 2100074 WALADQCSKJDDDG-CIRUFVMISA-N 482.378 4.987 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 3304559 JOQCJHZOAGQTHU-JFLMPSFJSA-N 468.937 4.855 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OCC)cc2)cc1 8427483 PLCBEZYUWIVWJP-IABPKXMJSA-N 480.609 4.815 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)cc1 10315741 UIUXGRIMJFBVJR-OGLMXYFKSA-N 461.562 4.751 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C=C\c1ccccc1[N+](=O)[O-] 13896825 AHHUWLPSBWROLM-YNCWMIHUSA-N 471.589 4.646 50 40 JJGB CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(N)=O)cc2OC)cc1 13940920 YZQFHNFWSFUJMH-WGOQTCKBSA-N 463.962 4.768 50 40 JJGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 28214781 SIJYUOFISIOHQF-LQKURTRISA-N 475.614 4.787 50 40 JJGB Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Br)cc1 32109615 WVIYOHXYAFHREK-CNSVBDKNSA-N 478.390 4.963 50 40 JJGB C#CCOc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC 33429435 NHRLRZCZVWGTRC-SXGWCWSVSA-N 474.254 4.674 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 35085818 PMONZQHBZFNKDY-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OC 408735398 RHZIABYLKMSFJQ-AWNIVKPZSA-N 482.705 4.816 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)c1 408963757 ARKWJTFEKZDPON-RHANQZHGSA-N 469.541 4.953 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccc(Cl)c2Cl)c2ccccc2)cc1 408978473 IOKAPVDRJIXCHI-YYHBXHNPSA-N 490.412 4.862 50 40 JJGB COc1cccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)c1 1415731 KNDMWKDETCAJSO-RPPGKUMJSA-N 471.464 4.787 50 40 JJGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 1868139 YVTYIMWIWNKJFZ-XDOHYJNRSA-N 484.541 4.750 50 40 JJGB C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(-n2ccnc2)cc1 12496803 VVPPWFVGRWMNEY-LFVJCYFKSA-N 457.397 4.884 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 33304440 HJCVTGYQGZOHMS-GHXNOFRVSA-N 466.129 4.862 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1ccco1 59534030 NQKNJQZXFYRIGM-VXLYETTFSA-N 462.303 4.716 50 40 JJGB Cc1ccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 408747510 OYXZAQUILQUZHR-COEJQBHMSA-N 450.538 4.960 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408774831 YCRJVTCJRWUCQB-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1cccc([N+](=O)[O-])c1 408782888 KIVKGBPCCANYHU-FMCGGJTJSA-N 465.560 4.854 50 40 JJGB COc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)c1 408785542 HCKZQFAZZUMYOC-MTDXEUNCSA-N 487.581 4.502 50 40 JJGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccccc1Cl 408973198 JXTJSZYDHITSJJ-ORBVJSQLSA-N 481.965 4.587 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409028940 VAEUXBBYZRRXJH-TURZUDJPSA-N 492.645 4.571 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409222647 CRMDMAXCFYISJX-ZHZULCJRSA-N 467.363 4.516 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccccc2C#N)c(Cl)c1)OCO3 664000 MAECGJIVXDYTAM-DEOSSOPVSA-N 457.873 4.738 50 40 JJGB ICCN(CCI)c1ccc2ccccc2c1 4773882 AQGHSDONGCBBJV-UHFFFAOYSA-N 451.089 4.516 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccncc1 9045428 TYSAOENTSYUGCE-AFUMVMLFSA-N 454.987 4.741 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(Br)c1OCc1ccccc1 9323916 SAJVSSRSWPLLAP-ZDLGFXPLSA-N 467.319 4.853 50 40 JJGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1Cl 13788455 SNMWCWCVYIWRCT-CAPFRKAQSA-N 484.943 4.715 50 40 JJGB CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC 20764930 PUTBDRMTPVPVKJ-OEAKJJBVSA-N 496.345 4.641 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 34743855 OQZXVDFWPKSLFI-YBEGLDIGSA-N 494.866 4.950 50 40 JJGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 58913624 VPWNHGYRLZAZKD-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB O=C(CC(=O)C(Cl)(Cl)Cl)[C@H](Br)[C@H](Br)c1ccccc1 101051510 WGOAJXGQPCBDGW-MNOVXSKESA-N 451.369 4.785 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 408611975 SWPLUPVLGDXDLU-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408779217 BXPXOUBYVGEOPL-UHFFFAOYSA-N 451.633 4.628 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCC(=O)OC 408790174 UOWGXTDLSFTWCC-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC(=O)OC 408987508 FODVFAMVAUAHGV-XDHOZWIPSA-N 468.937 4.873 50 40 JJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(OCC(=O)OC(C)C)cc2)c1 409186758 HNWBZITXFOCSQT-UHFFFAOYSA-N 467.953 4.842 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 1051800 CWGBFZVFDNEYNS-NRFANRHFSA-N 495.004 4.949 50 40 JJGB COC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)sc2c1CCCC2 1105142 LLIJSPLUHJPPKF-ZMOGYAJESA-N 455.605 4.575 50 40 JJGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 9323037 VNSLKTYSOVXYNM-PXLXIMEGSA-N 466.497 4.921 50 40 JJGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)CSc3ccc(Cl)cc3)c3ccccc3C2=O)cc1C 16044097 ZUNOEHDSPBTFSW-UCQKPKSFSA-N 492.000 4.898 50 40 JJGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1cccc(Br)c1 59249145 WVNPQPMADDMMDT-WQLSENKSSA-N 465.145 4.950 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541618 GXQUCDTUAARBHK-NVJOKUIPSA-N 469.419 4.692 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408759292 BNXQDRHWROPTSL-UXHLAJHPSA-N 475.504 4.524 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 408772465 LTEHPPKNLWMURI-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC 408797028 QQRHBXISIWAGFZ-KPKJPENVSA-N 468.678 4.507 50 40 JJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 408823513 FRUFCSPDLSDWRQ-VGOFMYFVSA-N 461.301 4.577 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965953 KJZSQGKIVSZTTE-YBEGLDIGSA-N 489.384 4.594 50 40 JJGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 408967474 SCAZTKUSPQYLRE-MWLSYYOVSA-N 484.508 4.655 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)cc1)c1ccccc1 408978302 HWVYXYLZBMYPPZ-QMFOPCRCSA-N 475.545 4.602 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC 409063200 INCJZNBYLXVLOG-UUYOSTAYSA-N 486.737 4.896 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1 409220267 VSAAYPWJFGLOOG-ZMFRSBBQSA-N 470.312 4.935 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1 409246105 DZZURDSRWDSJTQ-UQQQWYQISA-N 455.558 4.927 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 409252001 BAROTDSXFSSNAW-SQBGJFPKSA-N 489.547 4.615 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409314842 HJJHNYYSJLELLX-OAHLLOKOSA-N 462.358 4.713 50 40 JJGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1 409318855 YEPJGMBCOXOWNX-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB CC1=CC[C@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)[C@@H](c2ccc(Cl)cc2)C1 1096713 HFXDNIXLVSVVBD-AXQJAWRCSA-N 458.942 4.538 50 40 JJGB Cc1ccc(NC(=S)NNC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1826548 UJOYAKFEQFGZBB-UHFFFAOYSA-N 496.108 4.902 50 40 JJGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1OC 2209667 FOURYLIXENNYKP-INIZCTEOSA-N 471.966 4.585 50 40 JJGB Cc1cc(SCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(C)cc1Br 6016901 ZXROTZKXIDLZID-UHFFFAOYSA-N 472.364 4.543 50 40 JJGB O=C(COC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1OC(F)F 9582525 YYWPIFJUFJPRMX-GZDOSPBESA-N 472.326 4.750 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC 13387969 NGNUONPCIMRSNQ-VZUCSPMQSA-N 466.675 4.574 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC 20240595 REXDFFXINZHZTK-TWKHWXDSSA-N 471.601 4.922 50 40 JJGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1 33660606 JQROVPUVNWJTEH-LGMDPLHJSA-N 454.461 4.670 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cccc(I)c1 59921873 AZEULVHPYNEYGB-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408733059 VLCHRPQSAIJEAZ-FJEPWZHXSA-N 494.576 4.949 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1cc(Cl)ccc1Cl 408761672 AOPPJXUPCAUFHD-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 409113408 IBBNADSILJNJME-OVVQPSECSA-N 463.603 4.882 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCC2)cc1)c1cccc(Cl)c1Cl 853128 DNSLBJRFIJHSFW-UHFFFAOYSA-N 454.379 4.619 50 40 JJGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@H]1C#N 875463 ZZELSQUMGNWWJZ-OXJNMPFZSA-N 497.374 4.758 50 40 JJGB O=C(N/N=C/c1cccc2ccccc12)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1087071 NUTAMWSECRISDN-WYMPLXKRSA-N 478.306 4.519 50 40 JJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1 1469351 QAOYILVURYISBX-VULFUBBASA-N 475.892 4.981 50 40 JJGB Cc1cccc(OCC(=O)N[C@@H](C)C(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c1 2121945 FFTKZWOSYRXSJV-KIZAIXKYSA-N 487.600 4.533 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1 2238726 VFRLCVRAOXGTAW-XMMPIXPASA-N 460.555 4.736 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c(C)c1 3145960 JXTLYHHXYSSHBF-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB O=C(/C=N/OCC(=O)NN(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 3298756 BABNADNMOZPZOB-JFLMPSFJSA-N 456.424 4.516 50 40 JJGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3663506 IATATIOYAHMYNB-MJDKSPQASA-N 471.351 4.927 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 8861120 HUGIMVGZCSWGLN-ZMOGYAJESA-N 465.263 4.785 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OC(C)C 10118635 SFUCOKUBHUCWLT-UFFVCSGVSA-N 472.710 4.504 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28213883 WXVYYTAVHXHOAA-LGJNPRDNSA-N 471.941 4.739 50 40 JJGB CC(C)(C)C(=O)NNC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 61876563 HVSSEBPYCTUVGU-QHCPKHFHSA-N 450.627 4.576 50 40 JJGB C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 102769558 LBJBUXWAGIZRPF-VEWQFJOQSA-N 497.595 4.995 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408613263 YMRLZKNSSJJJHW-XODNFHPESA-N 490.774 4.992 50 40 JJGB COc1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OC 408904164 FTWHZAJAIHJVTD-AWQFTUOYSA-N 471.149 4.693 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc(F)c1 408968558 XGHOTGRQZDLCQA-KVSWJAHQSA-N 455.848 4.841 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)Nc1ccccc1C 409018698 YMWNAZAIGNDZCD-VULFUBBASA-N 496.361 4.548 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409065052 GWDWPDBVICCYJS-UDWIEESQSA-N 496.972 4.648 50 40 JJGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Br 409128695 KQMHJCKRCRRFLW-KRWDZBQOSA-N 493.199 4.506 50 40 JJGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CCCC3=O)cc1 705510 MRVRSFAICJEVAO-OAQYLSRUSA-N 450.336 4.762 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Br)cc1 726214 BZAWKVVWEWIIFJ-MZJWZYIUSA-N 477.362 4.934 50 40 JJGB CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3356959 BAIVMVMICJLUHE-AFUMVMLFSA-N 492.384 4.957 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 8861769 KVSRAENVNJZLSH-WOJGMQOQSA-N 480.362 4.770 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CCC3)cc1 9290382 MPCYPMLVUSBSBT-XMMPIXPASA-N 451.530 4.699 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccccc1 58980086 YXSHNXWXZYFOCG-RDRPBHBLSA-N 497.507 4.914 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)ccc1OCc1ccccc1 408612056 UFCIOXUFFOOFTM-RDRPBHBLSA-N 473.573 4.878 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1O 408776003 MDLXJPNDMYFBMT-NVNXTCNLSA-N 462.287 4.558 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCC#N 408794808 KAFYOWJSEWZUNL-NTEUORMPSA-N 460.715 4.949 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409073688 WYGZKQGFXWFKQV-QGOAFFKASA-N 482.945 4.970 50 40 JJGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 409223269 GNBYFBHZVKNIHZ-ZMFRSBBQSA-N 457.364 4.597 50 40 JJGB N#C/C(=C/N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1nc2ccccc2s1 1637597 TWGMZRJSYHTIJB-ZCYUMKDRSA-N 450.526 4.970 50 40 JJGB COc1cccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC 6578088 ULIGHJUTGRUJAK-MRXNPFEDSA-N 455.967 4.885 50 40 JJGB aggregator COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N 20238328 ZZTWVMVMPCOEDL-QGZVFWFLSA-N 470.392 4.673 50 40 JJGB aggregator O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214891 IBWWLOBKMXFPRL-WGOQTCKBSA-N 467.978 4.990 50 40 JJGB Cc1oc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(Br)cc3)c2C)c(C#N)c1C 35494436 WEROGXNJYFFEDJ-ROTLSHHCSA-N 453.340 4.631 50 40 JJGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 59473350 MFUURXSTTQKYAG-VULFUBBASA-N 468.962 4.948 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCC(C)CC1 408605662 MTKZMZWACZCQKV-FYJGNVAPSA-N 458.562 4.890 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1I 408747958 WEILYDWIFHAPOO-WYMPLXKRSA-N 491.304 4.610 50 40 JJGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 408774016 NTYUXNJDESXCNI-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C(C)C)cc2)cc1 408785817 ZPTGVMLNOSTLDJ-JVWAILMASA-N 467.566 4.603 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408898079 KHKGCQLMEBSXLA-GZTJUZNOSA-N 498.944 4.676 50 40 JJGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccccc2Br)c(C)cc1C 1009140 MDZXFRGIYVPQOS-JOCHJYFZSA-N 483.362 4.900 50 40 JJGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)sc2c1CCCC2 1453384 YZUTUZKTRSOFRG-LFIBNONCSA-N 454.548 4.755 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCOCC3)o2)cc1 8454170 RSTBZDBYMMXTEK-USHMODERSA-N 454.530 4.646 50 40 JJGB C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccco1 9427694 XNDKTESKLFYRRJ-CVKSISIWSA-N 478.599 4.552 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402279 MKFIWBPZPXHEDD-RUZDIDTESA-N 478.474 4.753 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1c(C)ccc(C)c1C 12843990 ZZERBUTYENQIJD-LSFURLLWSA-N 484.188 4.675 50 40 JJGB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1cc(Cl)ccc1Cl 18097570 ZVGCVWCOOURLKC-FQEVSTJZSA-N 490.774 4.969 50 40 JJGB COc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccc(C)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558749 DFUBFSYBJIQPJF-DEOSSOPVSA-N 485.565 4.530 50 40 JJGB Cc1c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 23098694 KVGGBNISZHCRFI-UHFFFAOYSA-N 473.333 4.883 50 40 JJGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28213709 RGXKNJILAPGNIV-UVHMKAGCSA-N 485.968 4.880 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 58882691 WXDYUKLWXSLHKA-GTWSWNCMSA-N 493.563 4.995 50 40 JJGB N#C[C@H](/C(=N/NC(=O)c1ccccc1O)C(=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104286101 NSESCDYZPCIYJX-BRBOLSPYSA-N 491.334 4.969 50 40 JJGB CC(C)[C@@H]1Nc2ccc(S(N)(=O)=O)cc2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245232522 XAUIRGBLWMLADI-OFJXYMSKSA-N 482.027 4.564 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408745883 WDPPNHAZLYNBHZ-DHDCSXOGSA-N 463.317 4.880 50 40 JJGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2OC)c1 408802985 JYIOWPHTAZDCHI-PXLXIMEGSA-N 472.541 4.557 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OC(C)C 408870780 WUKFYOCYWKGUAJ-RIYZIHGNSA-N 480.277 4.772 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1 408891529 RZFASZNIKCIZLF-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409006560 PAPVGWMPQUNYHR-RDRPBHBLSA-N 475.976 4.922 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)cc1 409132234 NNOQQIZGMQGQCC-AFUMVMLFSA-N 476.385 4.891 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1OC 2347248 QJRCZABLTKSAOK-LSHDLFTRSA-N 495.051 4.743 50 40 JJGB C/C(=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)c1ccc(C)cc1 8780675 JOTKRWQAJYPISD-UCQKPKSFSA-N 490.199 4.919 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 19937044 QYCODFKZKDCOOB-TURZUDJPSA-N 485.565 4.691 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 28214240 NRYMGZIWBSJBIB-VSWHYLHOSA-N 498.004 4.997 50 40 JJGB O=c1nc(SC[C@H](Cl)CSc2ccc([N+](=O)[O-])cc2)[nH]c2sc3c(c12)CCC3 36724542 KVHHAIFZOWPDJD-SNVBAGLBSA-N 453.998 4.873 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I 408763205 OGRKSEDYPFYUGH-GHXNOFRVSA-N 483.103 4.608 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 408998674 RUCIPZNLVBFBRU-NDZAJKAJSA-N 493.519 4.931 50 40 JJGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409189852 UGAGTJQDDMXSKQ-UFFVCSGVSA-N 470.548 4.641 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccs2)c(Br)cc1OCc1ccccc1C#N 409206464 JWENQHXIJVAIIY-DHRITJCHSA-N 484.375 4.663 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)o1 8812756 KSTSXFBUTRKALB-DHRITJCHSA-N 479.334 4.976 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1ccccc1 28214813 ARJTZLFQUPZYOD-HJHSVFMCSA-N 467.525 4.566 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 33511782 HNTQFGUZWPZBOZ-CFRMEGHHSA-N 484.306 4.709 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C\c2cccc(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33803288 UAQFHIWUTAKOAO-MBTHVWNTSA-N 498.048 4.915 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1OC 107908994 DOKMNKCXEBYGEX-ZVHZXABRSA-N 488.325 4.545 50 40 JJGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCc1ccccc1 408723709 BXTFOIMMPAYQGM-TWKHWXDSSA-N 466.537 4.660 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408725101 JDXYBJGZKLZTND-YBEGLDIGSA-N 476.314 4.943 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408767377 WHRYRCBXJAXGRP-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OCc1ccccc1 408880023 GQIXCLHLRBTUGR-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(I)o3)[nH]c2c1 408956046 ZQMPMAJAFUDNTM-UITAMQMPSA-N 454.065 4.896 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409264143 PFEABBLDWLMJLT-GPUKMNDYSA-N 475.976 4.985 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 850129 OQUDIGQUKYNJGJ-HXUWFJFHSA-N 480.977 4.641 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 9934814 WSZZMNFZMCKJND-VULFUBBASA-N 452.352 4.899 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 12465173 YUOAWQGQNIRWLN-XYGWBWBKSA-N 480.594 4.803 50 40 JJGB Cc1cc2c3c(c1)[C@@]1(C(=O)N3C3(CCCCCC3)CC2(C)C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21 14162326 TZHRIIOKCKSEIQ-GDLZYMKVSA-N 485.584 4.750 50 40 JJGB CC(C)Oc1ccc(Br)cc1/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F 32115762 URDNNOHBOSDIEI-OUBWWKSTSA-N 453.152 4.519 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(Cl)c(Cl)c1 33437623 ONNDDFLJKWHADW-QFEZKATASA-N 476.385 4.724 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)c1 33591031 JRCNFLDAAKSXRN-CCVNUDIWSA-N 496.479 4.895 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 33651417 PWHSVFBINAAYLM-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccccc1 38534889 PWHPHVUZXVNBGR-KTQJZKDLSA-N 497.554 4.653 50 40 JJGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913492 SOEITVAVWPQECG-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408610562 OETRYRSBXHPRKL-LYORIEDSSA-N 456.757 4.591 50 40 JJGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408761579 GWZPGCKFYYZGMG-DNTJNYDQSA-N 474.536 4.554 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c1 409068349 SFXSMTKHQYTSKI-QGOAFFKASA-N 452.919 4.962 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(Br)o3)cc2c1 409186379 BECAWCCJBLKMPJ-UWVJOHFNSA-N 456.090 4.713 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OCC 409312069 JGNBUJKJNVSNOT-MYYYXRDXSA-N 494.460 4.857 50 40 JJGB O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1)c1ccco1 1434076 KEBSDTRLTNRNMA-IEIKYZJLSA-N 450.494 4.955 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1ccc2ccccc2c1 8826440 XJARSVGXEFBSRL-UHFFFAOYSA-N 479.565 4.641 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 35126242 YBNAMCZYVUHFAX-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658509 VHACSHYMRVKYNF-SANMLTNESA-N 486.524 4.930 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2sc3nc(C)cc(COC)c3c2-n2cccc2)ccc1OC 78546563 PFUUECLPLLPEMK-VULFUBBASA-N 478.574 4.713 50 40 JJGB Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1 98212426 FYYHSZKBQHQUNG-QHCPKHFHSA-N 455.539 4.522 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408607913 FQIFKHLHNBHRQB-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(Br)c1 408744982 OKANWOVDRILLBD-ZSOIEALJSA-N 475.140 4.968 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC#N 408843126 DKMZSZBXZWEQOE-MYKKPKGFSA-N 476.714 4.914 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 408895016 KDATXMHTNHWFTL-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 409002908 QCWBMEJSCMKABM-WYMPLXKRSA-N 457.273 4.918 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cc(C)ccc2C)cc1 409183626 FCEUJDHAKLRSSB-OGLMXYFKSA-N 493.629 4.745 50 40 JJGB O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Br)cc1 409218758 GVKSOSWLWNUKGX-AJQKUXQMSA-N 494.301 4.740 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1)Nc1ccc(Cl)cc1 409260597 SPYQYPBGAHQQLL-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 935149 VAEKGTIIXLFZRV-BAACNHRGSA-N 452.750 4.558 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1OCc1ccc(Br)cc1 3168704 DEIZEWFTBAONEV-OJLHXUGZSA-N 483.362 4.875 50 40 JJGB N#C/C(=C\c1cccc(I)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152235 SRPIZMQHBMJTPS-MDWZMJQESA-N 459.312 4.649 50 40 JJGB Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20131962 YWRKQSMAJURKBY-XMMPIXPASA-N 469.566 4.830 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OC 28217752 UCDMRIRYSWLKJF-OHBSIKEHSA-N 457.777 4.751 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 40137622 ZPXZCCVQTDGNAM-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(Cl)cc1 408898247 WAOHDKCWDJOZBF-VULFUBBASA-N 452.894 4.649 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409026900 FJEKVGFMFIXLKP-OVVQPSECSA-N 479.602 4.514 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)c1 409260492 QXYSTOYFJMJGPW-QFEZKATASA-N 466.335 4.539 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)cc1 409270986 JCJOJGUXCLXHMM-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1Cl 409325925 DBGQUUHADFNSRL-HNNXBMFYSA-N 462.358 4.713 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1088996 XKXURLRUBZLTOQ-LSFURLLWSA-N 452.139 4.765 50 40 JJGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 1822544 BHTIQVQYIXRROD-AIDHTSIMSA-N 456.618 4.747 50 40 JJGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888726 AJTFVZDZUDSQMB-FYAMCCBRSA-N 471.557 4.877 50 40 JJGB CCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 2679528 OYAVCCXDCJRCLV-HOTGVXAUSA-N 455.146 4.702 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OC 19833204 FOYVLWFGEJEEOR-IMRQLAEWSA-N 487.585 4.584 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 20233165 CPRBRYWYESYJNQ-FSJBWODESA-N 482.414 4.709 50 40 JJGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 20558657 IFPNGEVBOUZQHZ-RUZDIDTESA-N 499.592 4.920 50 40 JJGB O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccc(Cl)cc1 22853647 ZPZYUQSCJAYZOB-XHLNEMQHSA-N 461.009 4.587 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc(OC)c1OC 36270021 ILPVZDSIQRPCOV-STBIYBPSSA-N 484.556 4.758 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)c1 59427003 JXZVPZXAADYTAN-WYMPLXKRSA-N 487.341 4.785 50 40 JJGB COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 83317851 YLWDZXOKXGQXPS-YABPMDJWSA-N 452.938 4.892 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)OC)c(Br)c2)c1 408744222 DMOBWASCDJKJKS-AUWJEWJLSA-N 493.741 4.599 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 408875564 KBQHXXHPLAJPOR-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1 408889231 BPHPCYNIPQNHHV-QGOAFFKASA-N 452.919 4.962 50 40 JJGB COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1 409193875 GSZQZLJVICVDNJ-RCCKNPSSSA-N 495.535 4.681 50 40 JJGB O=C(NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1 409218544 FTXOLKAORQNGJK-UHFFFAOYSA-N 461.827 4.686 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NC(N)=O 409231994 GPTZDSOCWAGSOH-JYOAFUTRSA-N 459.116 4.981 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 409261283 CGNUCIMDEYYESZ-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 1421866 CBMICTQYUNVQEZ-RUZDIDTESA-N 478.474 4.753 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl 2310567 FOBUQBFXWHFLJS-RTBURBONSA-N 490.368 4.943 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1 40912385 BNURIPNVWDQOHX-VULFUBBASA-N 483.362 4.874 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(C)cc1 59101632 ZKDPZURZNNYOBQ-MTDXEUNCSA-N 453.498 4.777 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1 408612879 ZDQMBGJFDLGXQF-HXUWFJFHSA-N 493.991 4.986 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(Cl)ccc1Cl 408763612 PYAJRMFFWCRJGP-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408938106 KRQVAGRNNHJENA-VULFUBBASA-N 490.412 4.643 50 40 JJGB C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(Cl)cc1 409028260 KMMYWJXPSGLQFH-WYZSWBMLSA-N 485.993 4.827 50 40 JJGB CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] 409112157 FEYKSOGKHQEPDQ-MXAYSNPKSA-N 498.948 4.887 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccc(OC)cc2)cc1 1477644 GBVKYODJMSJZKD-JVWAILMASA-N 487.585 4.502 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)c(OC)c1 8566676 CXKOEPSWYYBPLS-DEOSSOPVSA-N 480.524 4.891 50 40 JJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(OC)c1 13148645 NBFDJJLRJAKANM-VIZOYTHASA-N 487.169 4.567 50 40 JJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1F 13388118 ZANIYTHOAPAALN-IZZDOVSWSA-N 454.093 4.905 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926204 ZOMBUUGJJBMVMG-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3O)nnc2-c2ccc(C)cc2)cc1 100871218 KYZYJTZZYIZGGQ-IMRQLAEWSA-N 487.585 4.589 50 40 JJGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21 223506041 SAJZRRSUOIICFV-WGARJPEWSA-N 450.539 4.843 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)Nc3ccccc3OC)c3ccccc32)c1 408544909 VXTMREJDHGLAOQ-DICXZTSXSA-N 456.502 4.640 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 408738151 QWTAPAZVYRPLOD-DHRITJCHSA-N 479.290 4.572 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408795124 LBIXFOPMCWEBTO-RIYZIHGNSA-N 463.715 4.590 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OC(C)C 408802925 JGIDRQMCROBTDC-LICLKQGHSA-N 487.350 4.967 50 40 JJGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1 409073416 MXFMLIJLAZFKKR-VBKFSLOCSA-N 456.882 4.792 50 40 JJGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@@H]1c1ccco1 409125216 JKUTXJGVNCMTQP-NSHDSACASA-N 455.845 4.662 50 40 JJGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccccc1C(=O)O 409213852 UCKCUTRQWHXREK-MSXFZWOLSA-N 464.572 4.644 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1 409215404 YDDGDYAIYOZMJY-DHRITJCHSA-N 455.967 4.777 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2393161 VYSILVJBYCIRHG-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 9057019 JTFAGYIAWPXWLT-HKWRFOASSA-N 472.497 4.975 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408614463 CMVHCAOGJHJKQS-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 408883843 RJNVICSSZXEBTA-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 409245180 OPKCAKUFMRZDPL-LORYXUCWSA-N 469.541 4.806 50 40 JJGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)[nH]c2c1 409390476 DBZOJPIWHLNXOB-PDGQHHTCSA-N 454.486 4.662 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1)c1nn(Cc2ccc(Br)cc2)cc1Br 8780717 NYGHURARPSSSBA-LSFURLLWSA-N 496.590 4.874 50 40 JJGB CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567642 WQQSOTWUTCJISU-SANMLTNESA-N 458.949 4.556 50 40 JJGB C[C@@H]1CCC[C@@H](C)N1CCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 16044565 QRGXAXRGDSVFPA-QZTJIDSGSA-N 464.997 4.969 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C(\C(=O)c1ccccc1)c1ccccc1 16450731 DXOYYKQVNDAJRH-QVTSOHHYSA-N 459.505 4.558 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408880035 ILEGTUAYLHFBTE-QGOAFFKASA-N 491.297 4.912 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(I)cc2)cc1 409142241 WZWQEMULGFDTRV-OAQYLSRUSA-N 498.320 4.685 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)c1 409256026 NMDLFJIAKAKNDN-MUXKCCDJSA-N 495.963 4.755 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(-n4cccc4)cc3)c2)cc1C 409379618 YPZUUZRWCYSNOI-MIXAMLLLSA-N 466.541 4.876 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccc(C)cc2)cc1 1789160 PKFDLMQDHRYUJJ-JVWAILMASA-N 471.586 4.802 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc2ccccc12 2081166 RZZNKYIDHANPFA-FYHAJLKWSA-N 451.320 4.532 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 3116094 JUDZXJPKBYQDJV-VULFUBBASA-N 481.346 4.814 50 40 JJGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 8427129 MXCHCSGCSWAKDL-BVGVGHKLSA-N 485.584 4.923 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1 10476103 FLTFWFWKQUUFLG-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59101823 AXIWXLDPKUHASH-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc2c(c1)OCO2 59445063 GVKWATIDMNYRPI-WYMPLXKRSA-N 453.292 4.521 50 40 JJGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)c1 408535208 XYDPZVGBZXZZCO-XODNFHPESA-N 459.424 4.704 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1O 408759608 HYUWEAYZYFKEQF-SDQBBNPISA-N 466.129 4.862 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409253605 XICDXHBGTUCPLL-DEDYPNTBSA-N 471.513 4.581 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 409259192 XWSBWEUHMOJXHM-KGENOOAVSA-N 489.959 4.980 50 40 JJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c1 409363513 MBTFLCBVCHOWAK-FSJBWODESA-N 456.296 4.927 50 40 JJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409382576 PBUQWAMNWQJOLX-ZROIWOOFSA-N 455.268 4.713 50 40 JJGB Cc1nn(-c2ccc(OC(F)(F)Cl)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N2 2191959 UHBBTOGQNNXWJG-UHFFFAOYSA-N 487.738 4.830 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(O)c1 2331928 YVYBWNQFKYIQOW-FSJBWODESA-N 466.613 4.932 50 40 JJGB Cc1occc1-c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1Cc1ccccc1 9254625 HADXWJOXFGDMGL-UHFFFAOYSA-N 468.542 4.829 50 40 JJGB COc1cccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)c1 408729605 HGLQUNLUDFBYJA-MXAYSNPKSA-N 450.336 4.742 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408759199 ZPNDZFDSYZIXNH-AUWJEWJLSA-N 493.741 4.599 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1O 408804437 FYTCLUVDKSWPSY-WUXMJOGZSA-N 468.678 4.513 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408890034 MVXUKGDEHANVCV-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1cccc(F)c1 408890343 RQQGHFPIEZYQBW-VCHYOVAHSA-N 475.432 4.816 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408909169 GQBCWFFUBQUZMD-JBIOKXMTSA-N 486.547 4.636 50 40 JJGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1 409219633 OPRAFEKIJRVKMB-PKAXELGKSA-N 494.847 4.539 50 40 JJGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@H](c2ccc(OC(C)C)c(OC)c2)CN1C(=O)CCl 1083103459 FROURAZTAXWESG-PPHZAIPVSA-N 499.007 4.955 50 40 JJGB COc1ccc(OCc2ccc([C@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc2OC)cc1 2768292 UGWKBSAKXWKIRV-BVAGGSTKSA-N 466.541 4.876 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)NN=C3CCCC[C@@H]3C)n2-c2ccccc2)cc1 15930233 GYGXCXLBIGWHCU-IBGZPJMESA-N 462.623 4.962 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Oc2ccccc2)cc1 20213994 YYJDVWWEUQKGTE-RDRPBHBLSA-N 499.592 4.647 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 58913057 YGIIHQGTFVBNNK-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408611750 SANSCKGRPFZOFX-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751333 DXCSOMFOJOZSLB-ZYQPSKSTSA-N 458.606 4.848 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCC(=O)OCC 408763295 ISNHIWUHSQGWRF-WQRHYEAKSA-N 499.361 4.674 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408859273 RVTKZGWUAUGXDZ-ADTIMHKYSA-N 471.582 4.790 50 40 JJGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 409014044 LVAJAHLOHKSHSP-VFADJPBRSA-N 470.784 4.707 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)c1 2344237 QKAUAXWMKADHAE-IKPAITLHSA-N 455.558 4.607 50 40 JJGB N#CC(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)=C1Nc2ccccc2N1 3319810 AJIXJKNVWHGDHF-UHFFFAOYSA-N 459.889 4.918 50 40 JJGB O=C(NNC(=O)c1ccc(Cl)nc1)c1ccc(CSc2nc3ccccc3s2)cc1 9441735 MNRVVGPQTNSXGD-UHFFFAOYSA-N 454.964 4.712 50 40 JJGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O 20213907 WVSNQSVQMXQRLL-BRJLIKDPSA-N 494.400 4.787 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1 20558630 INMWUNFAPCNCDM-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(SC)cc3)n2-c2ccccc2)cc1 32576911 OVROZKDBVHTQKL-QQXSKIMKSA-N 489.626 4.907 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1cccc(C)c1 33332390 YGWIJSIYRFEBCV-QRQIAZFYSA-N 473.529 4.725 50 40 JJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 408546500 KFQQENCXRLWPJW-LDADJPATSA-N 497.569 4.702 50 40 JJGB N#C/C(=C/c1ccc(I)cc1)C(=O)Nc1ccc(Br)cc1 408744496 LPKRNPIKPYARQE-XFXZXTDPSA-N 453.077 4.599 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1 408763623 JFGONDLVQCPSJR-NTUHNPAUSA-N 494.139 4.640 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 408764646 MTRKAPNJYBJHQX-WZUFQYTHSA-N 481.100 4.674 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408780977 PAPSAERYCGIWEK-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(F)c1 408965759 IKCHSMUDGWAWDO-KKMKTNMSSA-N 470.273 4.942 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409258011 SQNUYFYOVWRMMR-DICXZTSXSA-N 465.937 4.829 50 40 JJGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778278 JTVVYJCILMAQAJ-PXLXIMEGSA-N 483.549 4.612 50 40 JJGB N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3307670 CNXMBIASHBNJGM-RGEXLXHISA-N 471.991 4.638 50 40 JJGB COc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c1C 9670267 LNZVCFRUEDUPMG-KGENOOAVSA-N 454.486 4.803 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCCOCCOc1ccc(C)cc1 13894950 USZQFMWHDLPSTR-MTDXEUNCSA-N 482.964 4.895 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1OC 20064848 IGVXAYHFITWPGX-RUZDIDTESA-N 489.597 4.801 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 59224513 LAHIAUXXLHCZJZ-FSJBWODESA-N 470.525 4.925 50 40 JJGB CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC 245241743 OBRGIUSHZDQUGY-CYBMUJFWSA-N 469.763 4.736 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)c1 408526372 BUDJOCAHCWRDJU-AMVVHIIESA-N 486.494 4.852 50 40 JJGB N#CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 408764143 WFWCGUZQQSYZSV-JYRVWZFOSA-N 461.113 4.660 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c1 408997634 NQDBXISREUSWEY-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)n1 409244640 GRDBGPAIYBCEAW-YSURURNPSA-N 490.402 4.645 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)ccc1OC 409310507 AOGORZQKUGITCK-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OCC 409326156 HMYZFNNZJIZDSY-QRQIAZFYSA-N 474.513 4.691 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@@H](CO)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953119792 PRKOBXIKZBKZHU-PKTZIBPZSA-N 483.725 4.571 50 40 JJGB C[C@H](c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1cccs1 2271614 HTMQYYOCUMKBHY-HXUWFJFHSA-N 456.567 4.919 50 40 JJGB COc1ccc(C(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)cc1OC 2660166 NOWGGPULXNTCKP-OEAKJJBVSA-N 456.593 4.643 50 40 JJGB N#CC(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=C1Nc2ccccc2N1 2663147 BDOJFJOMLYPSPP-OUKQBFOZSA-N 493.548 4.999 50 40 JJGB COc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)c1OC 9292552 XNMUNSBRDAMCIM-QHCPKHFHSA-N 480.524 4.891 50 40 JJGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275478 AGDSSCLYPTXOQF-PXDATVDWSA-N 450.560 4.516 50 40 JJGB Cc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 16348965 RZRPMURGLAXODY-VULFUBBASA-N 462.962 4.590 50 40 JJGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)n1 16956821 SWFALKYAFNIJOG-UHFFFAOYSA-N 453.524 4.712 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)c1 59432829 JYLPBQHSFOREER-WUXMJOGZSA-N 483.103 4.613 50 40 JJGB COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1OC 59437040 VTEHTEPIYIGLHA-MHPVMVKYSA-N 458.139 4.937 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 408609514 KBWOAVBXCORLFI-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 408612945 XOIQSGJSGNDEDO-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408678474 ZPNGEKACIIBBCF-BUVRLJJBSA-N 460.372 4.611 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408812355 SITUQBWBXUWGEK-XQNSMLJCSA-N 471.513 4.838 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1 408858780 LTTOVUKSPNOUQE-JVWAILMASA-N 463.603 4.574 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(OC)cc1 408884394 WZDNFYGVJDBIFH-XSFVSMFZSA-N 486.480 4.557 50 40 JJGB O=C(N/N=C/c1cn(CCOc2ccccc2)c2ccccc12)c1cc(Br)ccc1O 409218113 SRLWGXXHPGWEPZ-CVKSISIWSA-N 478.346 4.952 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 409326531 LPTGHOGPKIQFEC-MYYYXRDXSA-N 494.460 4.857 50 40 JJGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)c(C#N)c1C 409357742 RBLVZTHDLVJGBU-KBKYJPHKSA-N 468.355 4.500 50 40 JJGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1OC 2364768 OTPRYPGIROLHTI-MRXNPFEDSA-N 471.966 4.585 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1 3321582 OBJKPDXBRVFXDA-OAQYLSRUSA-N 457.555 4.949 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1 9042670 OCXXSRGQJJATSX-RELWKKBWSA-N 458.562 4.778 50 40 JJGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 19953310 FQFHDHJWJUZYNH-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640863 IVJXMMXJXNUXLG-NTFVMDSBSA-N 459.546 4.792 50 40 JJGB COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 30833226 JZDCOOFFFIBRHH-ZMFRSBBQSA-N 473.312 4.750 50 40 JJGB CC(=O)OC1=C2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]2C(=O)OC(=O)[C@@H]2C1 118936698 SPDGZKJSOWGZIE-ZQFKPYIESA-N 496.600 4.644 50 40 JJGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(Br)cc1OC 408818131 XZDHIQDBZJKDMU-RIYZIHGNSA-N 475.726 4.677 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 409258898 WALOSHLTBBBNQH-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB CCOc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc(OCC)c1OCC 9283645 UGIPPDSLLHKRQI-UXHLAJHPSA-N 499.571 4.894 50 40 JJGB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1 9763057 CIFHJDYMMUIASA-HXUWFJFHSA-N 498.583 4.639 50 40 JJGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2SCc2ccccc2F)cc1 9883375 OUEZHDQEXUIZGY-QGZVFWFLSA-N 468.550 4.745 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1F 20348439 FYSMULJFBYWEFR-DEOSSOPVSA-N 493.560 4.631 50 40 JJGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28213763 KZXBRQYDYDMIEW-VULFUBBASA-N 474.026 4.551 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 33407768 XLVWKKFCUGLYJZ-YSMPRRRNSA-N 452.894 4.730 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1Cl 408602366 DEXGMRQMRZNMRZ-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I 408742926 CTBZWDYVDPDSRN-QPEQYQDCSA-N 497.130 4.916 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc(C)cc2)c1 408885835 BPDAFPXZEBUNDL-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 408888730 ZSXCRAKBOMYGTF-XDHOZWIPSA-N 477.498 4.525 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c(F)c1 408968378 WDYUXGMYUJQGQO-LGJNPRDNSA-N 499.283 4.645 50 40 JJGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(Cl)cc1Cl 409014021 LRVHZNBPJZZTGE-HTHFWCIQSA-N 464.393 4.670 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409030216 CTGNXKFDNDSQKB-FMIVXFBMSA-N 469.324 4.995 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)cc1 409075170 PGAPTZNMUGWDLO-DTQAZKPQSA-N 456.882 4.792 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1OCC 409314150 DYIXYFYSMBVDHF-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 1436364 QDWJMYNSMOJOCT-XMMPIXPASA-N 473.573 4.962 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 1813591 BNWHQXNVUCMDND-OPEKNORGSA-N 467.904 4.880 50 40 JJGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1OC 2310318 GRBOEEOQEYRHBF-GOTSBHOMSA-N 493.585 4.652 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2c(ccc3ccccc32)o1 4480164 PFGWDNOWPPSHMH-LSHDLFTRSA-N 454.236 4.726 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(Br)o1 9261826 AXUCLWOWZUNWPW-IFRROFPPSA-N 454.040 4.516 50 40 JJGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 12137137 VHBKIYIYKPUHSG-WOJBJXKFSA-N 454.526 4.889 50 40 JJGB C=CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 208456803 VPNUIFQIMZEIKY-YUMHPJSZSA-N 455.341 4.944 50 40 JJGB CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@H]12 214634675 SLXLVVLJLQJWFG-JJHGTGHCSA-N 482.653 4.958 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 408856669 CZTHDMDCJQPAFC-VFCFBJKWSA-N 481.593 4.881 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)c(C)c1 408932617 YGINZMMSINSRFZ-MWLSYYOVSA-N 469.541 4.871 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409013283 UFBVIHQXJXFYBY-MBTHVWNTSA-N 495.963 4.594 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)c(Br)cc1OCc1ccccc1F 409086633 AAWIWFXOHLYSLG-MXAYSNPKSA-N 457.299 4.940 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@@H]1c1cccs1 409133871 UQXIGWGMGNVFRN-NSHDSACASA-N 482.812 4.875 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409210899 LLKJSIVFAICLJN-MSXFZWOLSA-N 485.294 4.707 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409219447 QOYZMNPKRLGTDH-CPNJWEJPSA-N 459.477 4.706 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 3146644 NSQXUIZOTXYHHQ-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1 9057355 OKHHCCFIMHYBLV-XMHGGMMESA-N 457.442 4.677 50 40 JJGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1OC 13880670 RDLSJOTYYFCPCA-KKIAYBEWSA-N 477.948 4.669 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC 59333277 DXTRKGQYEZTWNA-PGMHBOJBSA-N 480.406 4.832 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408604464 JNFPECVUJOUKST-QFIPXVFZSA-N 498.524 4.878 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC 408726824 VCPMYFZJMHCOEP-JYRVWZFOSA-N 482.705 4.898 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 408949441 IBSOLNQZZYMXNB-ATVHPVEESA-N 456.458 4.611 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409023925 FNJKBFWRVFHFMZ-FCIOZCPLSA-N 479.602 4.758 50 40 JJGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 409074355 PZVFEWPDWLOHGN-WOJGMQOQSA-N 487.364 4.984 50 40 JJGB C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(F)cc1 1021462 DFKLZIBGGLDZRV-SRZZPIQSSA-N 458.125 4.578 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OS(=O)(=O)c1ccccc1 2077246 XZEKJFIJQQGKCY-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 3174823 SEGAGXXUNFHCJV-CVKSISIWSA-N 483.362 4.956 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 9261665 ZILJLDOYZXVUAK-HAVVHWLPSA-N 470.573 4.875 50 40 JJGB C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1Cl 12527731 UHYZLWQLFTVCQE-MFKUBSTISA-N 453.801 4.699 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 59474922 PKWGZZWAKHQERB-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC 408580969 FJWRIGXNVXZDJI-LICLKQGHSA-N 489.309 4.783 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1Br 408719744 LFCLWIVTBFEVOW-UFFVCSGVSA-N 485.245 4.661 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408884994 ZOLRTRNZAGRXDA-SFQUDFHCSA-N 472.413 4.576 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 1051797 CWGBFZVFDNEYNS-OAQYLSRUSA-N 495.004 4.949 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1 2310697 FSWZTWINQZMIAN-DEOSSOPVSA-N 459.571 4.805 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccc(OCC)cc2)cc1)S(=O)(=O)c1ccccc1 19937011 AAFNGKZFEKYPCN-NHFJDJAPSA-N 477.586 4.621 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1 33645989 FOMSXKPHNCDTLV-QGOAFFKASA-N 461.905 4.912 50 40 JJGB CC1CCN(C(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 98046363 ARUNAWUFAFVWRC-XZJROXQQSA-N 486.086 4.931 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 106120897 ZDVUZUIVPIZARR-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408914086 SNHNLKAWIXQUHG-JFLMPSFJSA-N 477.517 4.718 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1 408978246 HGLITJUIIJQDLY-RAQUAXEKSA-N 483.908 4.626 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)c(C)c1 409252451 BTJPUUYOPAEICL-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 2220510 WYIDXVZAPZNCIF-VVZUNISESA-N 484.581 4.610 50 40 JJGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 6190609 BYRJENHSOIECOX-NGUGDGFLSA-N 479.580 4.968 50 40 JJGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 9544716 MDLYBQXRUMXHQP-UHFFFAOYSA-N 486.597 4.661 50 40 JJGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 12629170 FVMSOACKDIXANC-OCSSWDANSA-N 492.963 4.687 50 40 JJGB Cc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558546 RZSVSOHTODFYRG-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc(C)cc1 30843287 ZLUINNGGUCRDKI-NTFVMDSBSA-N 460.530 4.759 50 40 JJGB Cn1cnnc1SCc1ccc(C(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 33415208 HMFBRAQEEDTNIL-OKBUYZRPSA-N 469.570 4.765 50 40 JJGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(F)cc1 59101807 ANRBAQPVZBOPNZ-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nn(CCC#N)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 227149693 PNHAUPZZAIGKQQ-XDHOZWIPSA-N 472.936 4.946 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408865992 FQMRRSIZBNKUOD-WLRTZDKTSA-N 452.679 4.807 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 408951078 KXBMUKRPPSCSBL-KQWNVCNZSA-N 478.552 4.760 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc(Cl)cc1Cl 409059155 UMFAQFZEIUNLJU-OPEKNORGSA-N 490.299 4.959 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(Cl)cc1 1833751 XNYZJQNLDAZHAR-VULFUBBASA-N 494.024 4.663 50 40 JJGB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)c3cccc(Cl)c3)cc12 2628768 LOVGAKJVTOVNRW-UHFFFAOYSA-N 459.358 4.836 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1Cl 3145912 VHYMGCYHJFHVER-RWPZCVJISA-N 465.937 4.829 50 40 JJGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1 13779197 HRGRPKXVTMAHBV-FBMGVBCBSA-N 456.546 4.750 50 40 JJGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc2ccccc2n1 15906414 IKQLLYJVZQOTIO-HMMYKYKNSA-N 465.513 4.845 50 40 JJGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(C)C 16700221 VYONFKARWQLCLM-BQKWAYIGSA-N 470.573 4.837 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 16758940 AOAMTNHLIFEAIC-UQNFDQQLSA-N 471.376 4.747 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 59272270 PLPDORBDODGULP-VZUCSPMQSA-N 466.675 4.574 50 40 JJGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)c(C#N)c1C 408531347 NUOQTORDSVGORS-VPUKRXIYSA-N 457.456 4.757 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OS(=O)(=O)c1ccccc1 408888345 ULFHVHPVXRNSTL-NBVRZTHBSA-N 482.945 4.970 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OS(=O)(=O)c1ccc(C)cc1 408896578 SDXZLVRGBWSQMS-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1Cl 409126396 NSVYGGSHFYBPHA-LJQANCHMSA-N 457.317 4.831 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(F)cc1 409206039 UUTHFRQQCKZQKR-MZJWZYIUSA-N 492.532 4.562 50 40 JJGB Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 409245398 SEKDUPCJMFWVFV-ZMOGYAJESA-N 475.305 4.531 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 409254787 FXTQJRZOAFQRDS-RGEXLXHISA-N 489.915 4.690 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])cs1)c1ccc(OCc2cccc(Br)c2)cc1 1434126 VPTUIDPJBDATLM-UFFVCSGVSA-N 460.309 4.762 50 40 JJGB O=C(NNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)Nc1ccccc1 2549831 YKHOJIBBLZSMCN-UHFFFAOYSA-N 460.368 4.872 50 40 JJGB CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(N)=O)c2-c2ccccc2)cc1 4064252 UDRVSWORABDFHB-RDRPBHBLSA-N 452.514 4.990 50 40 JJGB CCC/C(C)=N/NC(=O)CNc1c(Br)cc(Br)cc1Br 8809627 CXPOTTYRYGQWCA-QGMBQPNBSA-N 470.003 4.678 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1I 14152233 VBZLYVSLFJEXBM-MDWZMJQESA-N 489.338 4.657 50 40 JJGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 15229322 RXRRSGSCLUECNI-NDENLUEZSA-N 453.473 4.781 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3O)nnc2-c2ccccc2)cc1 100830421 BCIGDVVGAPZVHS-IMRQLAEWSA-N 487.585 4.671 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)cc1 408888427 VHDDUFCFQPMCLQ-SFQUDFHCSA-N 461.430 4.586 50 40 JJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21 409354322 CFDBMWUVNBLVLX-IPPBACCNSA-N 486.373 4.886 50 40 JJGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409360023 CYXYPIHQZWLFIY-AUEPDCJTSA-N 477.702 4.833 50 40 JJGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Cl)cc1Cl 8721802 CNEMBVFKSCTGEC-DHRITJCHSA-N 467.349 4.574 50 40 JJGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1OC 9693373 NYFTWWJSEZAPIB-OAHLLOKOSA-N 485.993 4.894 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 12273747 NXZRHGSSGNCXCI-NLTRVXJZSA-N 497.576 4.928 50 40 JJGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc(CSc2nc3ccccc3s2)cc1 25139659 BFHLVOCINMHWBL-UHFFFAOYSA-N 459.556 4.540 50 40 JJGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 408611344 QQNQKNLZICEFIU-VUTHCHCSSA-N 489.572 4.932 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)c1 408691795 QHGLOZLZNDPFSL-MZJWZYIUSA-N 497.393 4.596 50 40 JJGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408839681 VJEBQYXTXSMECR-AWNIVKPZSA-N 454.313 4.720 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C(\c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)c1 408957478 URJAHKJEJBETCR-QUPMIFSKSA-N 474.483 4.780 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 409218201 DJDZOCWZAGUTPX-UHFFFAOYSA-N 493.519 4.931 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 409222950 YFVWQVJFKLXRQD-MOHJPFBDSA-N 483.568 4.677 50 40 JJGB O=C(c1ccc(Br)cc1OC(F)(F)F)[C@@H](Br)CBr 575362595 GDWDWDGVBNLJMU-ZETCQYMHSA-N 454.862 4.689 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 657994 IKMKISPDPZRPSX-JFLMPSFJSA-N 482.920 4.739 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888322 DMJDLZHLYSTYBE-SSXUBFHHSA-N 481.936 4.815 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 8882026 JJDZQHOFHIXFKZ-MUFRIFMGSA-N 463.493 4.535 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(=O)O)n2C2CCCCC2)cc1 9328178 XMIWPIRHONWOLR-CVKSISIWSA-N 477.590 4.699 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c(OC)c1 9693351 DJYVGVRFTPYZMQ-QGZVFWFLSA-N 455.967 4.885 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCc1ccccc1 18190936 ULGOZHUQVFVVLL-QHCPKHFHSA-N 452.466 4.599 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 19951698 RHZSQBDSCHAQDH-JVWAILMASA-N 493.972 4.544 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1Cl 23723768 PQDZJBRBRPGLCU-YNRPJPPASA-N 481.980 4.968 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 32576850 YKZGPQLVWAIGRS-WGARJPEWSA-N 464.978 4.989 50 40 JJGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 33612324 KCQABHQKQABWRA-CVKSISIWSA-N 481.346 4.786 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)sc(C)c1C 62628311 GZWZVJKVOXYXIT-MLPAPPSSSA-N 479.352 4.564 50 40 JJGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 408726968 CZACSLZAMCHKKE-NVJOKUIPSA-N 453.420 4.688 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408760315 WNRHVFZHDKUUSM-BRJLIKDPSA-N 495.289 4.695 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1O 408783586 NEEGRNUJSOKAEU-WJDWOHSUSA-N 458.356 4.945 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408787938 HSKYOAXZAURCHU-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408859927 VPYWHKDGYDCQGG-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCCCC4)cc3)oc12 408962298 YHAGVMIDAWBAOD-ZVHZXABRSA-N 456.340 4.958 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409004832 FDDGTXFHWSRSET-WYMPLXKRSA-N 483.193 4.758 50 40 JJGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409336129 LUBZSXQUOLDWFV-SSDVNMTOSA-N 471.336 4.599 50 40 JJGB Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3097544 FMXIYBOUTLPKBH-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 8836444 RTTMVNGUVSSQBK-GOSISDBHSA-N 453.365 4.991 50 40 JJGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2F)cc1 14923314 LANRVNRRCFNTOP-WBSLVUJQSA-N 458.537 4.593 50 40 JJGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccccc2)n1 16956815 RKHMCOIPBJVOGS-UHFFFAOYSA-N 459.915 4.748 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408607582 DQXOSXREILCYOG-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408609040 JEICDWWLMUJGGU-JFLMPSFJSA-N 465.937 4.579 50 40 JJGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)c(C)c2)c1C 408785023 FJIUMOPQYVWRCC-PDGQHHTCSA-N 461.347 4.783 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)cc1 408793940 HDBUWAUCLZCOOQ-WUXMJOGZSA-N 483.103 4.613 50 40 JJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)c(N2CCCC2)o1 408851828 AIYYQEZOCYKVQH-MYYYXRDXSA-N 468.351 4.838 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408890433 TUSZTOQNWGNGQQ-FSJBWODESA-N 493.457 4.679 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2)c(C)c1 409139201 BJDDASBEPGPNOF-JFLMPSFJSA-N 484.021 4.606 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)n1 409221465 QSCVPDDAOZUGQG-BHGWPJFGSA-N 486.439 4.814 50 40 JJGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 409325521 ZNYGHEYXJAQVHV-KRWDZBQOSA-N 488.432 4.882 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccc(O)c1 9272259 ULDFNVZSVOXNSI-CIAFOILYSA-N 465.025 4.822 50 40 JJGB O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 12680336 XFECGNHXQVHUDL-UHFFFAOYSA-N 477.970 4.736 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 14407898 UFDWOESWPNIBQV-AFUMVMLFSA-N 453.882 4.529 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(OC)c3)nnc2-c2ccc(C)cc2)cc1 30742537 ZONXFMBOSOGQDV-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918169 IRGPCXNLZHUUEW-ZXVVBBHZSA-N 467.566 4.685 50 40 JJGB Cc1c(/C=N/NC(=O)COc2ccc(Br)cc2Br)c2ccccc2n1C 59303329 LZTSSVPELWDQAM-LSHDLFTRSA-N 479.172 4.541 50 40 JJGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCC1 59435898 NTQIAYIFERHYPL-UHFFFAOYSA-N 476.042 4.790 50 40 JJGB Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 196050199 DDLOCFSZSYGOPG-RCCFBDPRSA-N 470.759 4.545 50 40 JJGB in-vitro O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 408569631 OWNDRMLWNJTNKK-CFRMEGHHSA-N 468.556 4.653 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(OC)c1 408570150 SARXZIOVSWJHFG-BUVRLJJBSA-N 459.637 4.549 50 40 JJGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NC[C@H]1CCCO1 408734819 KIZHLOQDIHSAHH-VOSMRYOYSA-N 457.486 4.529 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(OCC)c2)c1 408754643 OCVXAJDESISSSM-CXUHLZMHSA-N 473.323 4.717 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC 408763680 OOLWXRZEPHGPAR-NTUHNPAUSA-N 482.705 4.898 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)c([N+](=O)[O-])c1 408880061 IRDNRAPJVQZEQJ-LICLKQGHSA-N 491.431 4.516 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 408897337 RONQQRQPUFGTII-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 408951096 LCSZWAHMVBFRKZ-AUWJEWJLSA-N 489.167 4.664 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 408973929 QUKOOFIYGQIQMV-RPPGKUMJSA-N 471.863 4.635 50 40 JJGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408982423 DMNGDVVQDJLRDD-DHDCSXOGSA-N 477.742 4.899 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C)c2)cc1 409226935 XYDVXOLDGVCLKH-DICXZTSXSA-N 463.921 4.980 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1O[C@@H](C)CC 409230362 YNLZYQOHANEHLK-QCXKMSLLSA-N 450.992 4.565 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC 409240727 VAWCJTWKHPIRNG-GZQZNAIASA-N 490.341 4.873 50 40 JJGB COc1ccccc1/C=N/NC(=O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 521398880 WLNMKXOLRISZKK-LQKURTRISA-N 467.550 4.807 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(F)c2)c(OC)c1 2726979 KVBZEAIFFGAPSY-LICLKQGHSA-N 491.431 4.516 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)cc2)cc1 8452146 TYZSAERXWZUPON-JVWAILMASA-N 498.004 4.999 50 40 JJGB COc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)nc2c1 9263547 UDRVGVQQXWSOCW-YBFXNURJSA-N 455.470 4.921 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccco1 20348189 ZXGVUVPQTDTUIC-LJQANCHMSA-N 492.582 4.504 50 40 JJGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Cl)c1 20357136 JAUDVNKJEPYITJ-OEZLLYBRSA-N 493.947 4.937 50 40 JJGB CCC(CC)=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 408728345 JXUFULIWEIYRLB-UHFFFAOYSA-N 479.602 4.997 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OCC#N 408807968 IPNFNHCFRRNVCF-RIYZIHGNSA-N 460.715 4.868 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1 408895397 MRAYLUXIGVSIIR-PXLXIMEGSA-N 484.508 4.945 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2Cl)cc1 408896164 PQNKKRZPRZDJBL-LGJNPRDNSA-N 473.312 4.750 50 40 JJGB COc1ccccc1C(=O)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2230331 RRLJZNYEJREXMQ-UHFFFAOYSA-N 452.580 4.608 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1cccs1 6146934 LYLFFECQZKCNSG-SRZZPIQSSA-N 454.360 4.620 50 40 JJGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9469925 GXFWIUAHRJHXCB-NIRMRBTQSA-N 460.361 4.775 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OCC)cc2)cc1OC 12276098 GVSMDFSSORPCMG-FQRUVTKNSA-N 480.586 4.526 50 40 JJGB O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 15018717 YMDPIZHATCSNGD-KIBLKLHPSA-N 491.202 4.662 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 33959990 RNENXEFHUCQPJA-VULFUBBASA-N 499.361 4.818 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1 96022220 CIUSMJHWPLYHNB-LGMDPLHJSA-N 489.553 4.708 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc2c(c1)OCO2 107685256 HFTLROWOIAHSIY-BHGWPJFGSA-N 462.487 4.710 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409026903 FOWRHPHNBGQMKP-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1 409253865 CKQCZUXQWUNWJD-QFEZKATASA-N 466.335 4.539 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409333114 IUVGWTXQUSOUDZ-INIZCTEOSA-N 475.492 4.815 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccco1 1250502 MAIGILHTQQILGO-YDZHTSKRSA-N 482.363 4.532 50 40 JJGB O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 14359504 VFJDJNVOKAGSDD-VULFUBBASA-N 451.552 4.593 50 40 JJGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccnc2)C(C(=O)OCC)=C(c2ccccc2)N1 25515050 OTQKBKNWPVMJLG-QFIPXVFZSA-N 477.586 4.554 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33616604 DUBVYPNWNDUTQV-VYYCAZPPSA-N 469.900 4.659 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC 408725087 IVYRLQNPINZDAW-YBEGLDIGSA-N 476.314 4.943 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(I)c2O)cc1 408746150 XOEPKUYQKOEASJ-GHXNOFRVSA-N 468.678 4.595 50 40 JJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC 408883140 RQLPQIAQMKBIMN-MDWZMJQESA-N 482.705 4.898 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1 409124336 BMBSEVDIGNMASI-KOEQRZSOSA-N 455.967 4.628 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1ccc(C(=O)O)cc1 409186906 JHYRBPPCAIMYCL-LQKURTRISA-N 454.482 4.890 50 40 JJGB O=C(COc1ccccc1-c1ccnn1-c1ccccc1)N/N=C/c1coc2ccc(Cl)cc2c1=O 688112 FAPPIDNPZANNLZ-WKULSOCRSA-N 498.926 4.828 50 40 JJGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)c2)cc(OC)c1OC 2313418 SVECEXOBHWFIRF-MZJWZYIUSA-N 482.920 4.657 50 40 JJGB COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 40161953 KEQNHGWDDUJIOC-IWIPYMOSSA-N 478.552 4.839 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(C)cc1 108236469 IDZVHOVYWGXJJA-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 408598715 JETZKYNQRMJSSK-YDZHTSKRSA-N 480.346 4.760 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408743824 BWUFYMOLHXLXPJ-ZSOIEALJSA-N 493.741 4.599 50 40 JJGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848369 UHLBNMXSLILQKO-PMPOITAVSA-N 484.947 4.654 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408882050 PTWGUVXMFHBNMG-LDADJPATSA-N 474.429 4.636 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@@H]1c1cccc(Br)c1 409320920 FUCAEPBDKHYGJR-CQSZACIVSA-N 494.773 4.952 50 40 JJGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409326447 KGWAEJFHDHSJIF-KRWDZBQOSA-N 469.994 4.930 50 40 JJGB COc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)c3ccccc3n2)cc1 672893 CEUZLYKWOYURFG-LQKURTRISA-N 471.513 4.700 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3[N+](=O)[O-])S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934947 VSVDWUAOJJMFND-MZOFLMDJSA-N 498.564 4.646 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 1297480 XWPCDIVBEVDVKW-CVKSISIWSA-N 481.622 4.522 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1 1501023 VUPSTEFRRNUHQZ-AUEPDCJTSA-N 477.156 4.633 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 10130681 QDCAISCWMUHADI-XMHGGMMESA-N 489.503 4.796 50 40 JJGB COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)NCC2(c3ccccc3)CCC2)cc1 12945107 FHDLAXCUGDQQLI-OQKWZONESA-N 465.557 4.617 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1 20348494 AHOQMPNJGLDBIC-DEOSSOPVSA-N 459.571 4.792 50 40 JJGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658464 ZWXJPKDJROYOTJ-VWLOTQADSA-N 472.497 4.540 50 40 JJGB COCCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1 40486420 KVEAGOCWJTXSOZ-HSZRJFAPSA-N 450.560 4.514 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250437 NKKGIFUFUREOQY-OPEKNORGSA-N 460.317 4.628 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCc1ccccc1 59536688 JXHLNDYVYVFVMG-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 214634617 SLXLVVLJLQJWFG-RKVCDUFXSA-N 482.653 4.958 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1cccc2ccccc12 408727539 SYQLDEOLEHEULU-WKULSOCRSA-N 453.498 4.710 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 408862583 GOVHTFBTZFUOHS-LDADJPATSA-N 461.905 4.912 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 1310241 PXSWCNCRERQKFJ-TURZUDJPSA-N 499.596 4.801 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(C)cc1 20175684 JSVVMLZEIQXVSH-NRFANRHFSA-N 495.377 4.985 50 40 JJGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)NCc1cccnc1 20530194 REEKURYVGYOZGE-XKZIYDEJSA-N 453.933 4.870 50 40 JJGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC 408582236 MMASODNPZBIYRG-DEDYPNTBSA-N 465.527 4.853 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 408692777 VBVZRRAIKZTYBY-OPEKNORGSA-N 460.321 4.871 50 40 JJGB COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1 408840530 GQYFMYYPSBSADO-UHFFFAOYSA-N 471.623 4.599 50 40 JJGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c4ccccc4cc4ccccc34)s2)cc1 1953745 NKXGIZIPUFXGGI-LQKURTRISA-N 495.564 4.798 50 40 JJGB O=C(NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)c1ccc(Cl)cc1 2229812 IYALIVZVGLEKOM-UHFFFAOYSA-N 464.978 4.795 50 40 JJGB O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccc(F)cc1 10059594 ONXXJVYCCNKXFL-SWNXQHNESA-N 494.940 4.583 50 40 JJGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 12660276 DPPIUSPHYGJYMV-YFHGFKKUSA-N 475.614 4.884 50 40 JJGB C=CCn1c(-c2cc(Br)c(OC)cc2OC)cs/c1=N\NC(=O)Nc1ccccc1 16806004 BMUQSFXAQWLHRU-DAFNUICNSA-N 489.395 4.820 50 40 JJGB CCn1c(SCC(=O)N/N=C\c2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 31871122 BNWHQXNVUCMDND-GATIEOLUSA-N 467.904 4.880 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 33393393 AJIRFZLBJDJOAY-SSDVNMTOSA-N 466.431 4.750 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 59435632 VIYFHXFSXPRCJM-JVWAILMASA-N 484.021 4.805 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408607126 BTKZWOWSEDYBDC-XODNFHPESA-N 490.774 4.992 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCc1c(Cl)cccc1Cl 408612592 VYUNIHXWBARCDT-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC#N 408791282 VQHNKZODTXUOIM-NTEUORMPSA-N 460.715 4.949 50 40 JJGB CC[C@@H](C)Oc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408940154 JEHSWPKBKQMZKI-OTTIKCOKSA-N 492.313 4.987 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409048322 SMHJAAIAIOEAHW-QGOAFFKASA-N 461.905 4.912 50 40 JJGB Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c2)c1 409218571 GFHDSOPVCFUDQU-UHFFFAOYSA-N 467.481 4.823 50 40 JJGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 409223799 IAWMQBQMSKEWDM-CFRMEGHHSA-N 482.290 4.649 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC 1782579 OBRGIUSHZDQUGY-HJQVIKLGSA-N 469.763 4.736 50 40 JJGB CC(C)[C@H]1Nc2ccc(S(N)(=O)=O)cc2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl 6077008 XAUIRGBLWMLADI-YRJNGXSBSA-N 482.027 4.564 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccccc3Cl)c2C)cc1 9221948 OSXWTMBIRNGWGB-CPNJWEJPSA-N 463.921 4.845 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(=O)c1ccccc1Cl 9763275 BOIBQOKDHRIFLP-SFQUDFHCSA-N 476.872 4.812 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)cc1 13174391 HQHHCNSXKXGDHA-OAQYLSRUSA-N 451.573 4.558 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(O)(c1ccccc1)c1ccccc1 33574770 RGWBNNNQCWPMMZ-VUTHCHCSSA-N 481.508 4.560 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58911762 IEIGBQAYIOUMDC-KKMKTNMSSA-N 477.779 4.821 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 58918249 SDFHWAULEUBOIU-MFKUBSTISA-N 488.034 4.716 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 58925983 XQIJPQMGRPTAAZ-NLRVBDNBSA-N 469.994 4.769 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc2c(c1)OCO2 408568113 HYOLUGVGTOJSOI-LGJNPRDNSA-N 495.626 4.831 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OCc1cccc(C(=O)O)c1 408967588 RCWKFKRVDOXNCQ-XODNFHPESA-N 472.419 4.755 50 40 JJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408992683 AWONWQXFYGVPIS-NTFVMDSBSA-N 469.501 4.882 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409271986 XDIFGHHCQIIKOZ-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1OC 2295567 AELOJFDIJYLQLE-INIZCTEOSA-N 492.384 4.721 50 40 JJGB O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cc2ccccc2cc1O 8843011 MHOOWHPUFYECDF-ZVBGSRNCSA-N 464.113 4.540 50 40 JJGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)C1 9348359 MDLPSNBGVDNIDV-GQSNGCGQSA-N 481.600 4.574 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 13388046 HBMYOXKUCSKDFL-IZZDOVSWSA-N 481.100 4.674 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 58871310 ZTTYIGNNNKPWNP-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Br)s2)c(C(=O)OCC)c1C 108152413 VUGKWLBDIHTCNH-XYOKQWHBSA-N 496.404 4.953 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 408603155 FRAGXBABTYYIHB-IBGZPJMESA-N 479.964 4.814 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(I)c1 408747375 MZWKVWAEWMMCNC-NDENLUEZSA-N 481.337 4.922 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 408756132 XTVGNIRFWAKMRH-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408948812 GYNPLQPUWLHWKF-PDGQHHTCSA-N 450.336 4.761 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(Br)c2)cc1 409006462 JKMDDPABJPRFGD-QFEZKATASA-N 466.335 4.539 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)cc2c1 409186478 CMQRNCZXWLOHMV-MBTHVWNTSA-N 488.496 4.881 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409222984 DXTPLKRKWXUXQG-JFTQUGOGSA-N 463.877 4.939 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@H]1c1ccccc1 409314840 SSCDAJDOQSYPKS-AWEZNQCLSA-N 476.783 4.813 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 1243653 RFRQAHRELMETGX-IMRQLAEWSA-N 487.585 4.584 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(F)c1 3102321 LXRYDZKLRYTCME-KKMKTNMSSA-N 491.302 4.889 50 40 JJGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 9139903 YKEGGKFVCAAHRG-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 9322189 NUXBUCIAIZEIHQ-OVCLIPMQSA-N 459.727 4.977 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1OC 9693281 PUGAKVOATFFMFY-SFHVURJKSA-N 455.967 4.967 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 19951582 LLPAJQHQXQCBGB-DHRITJCHSA-N 496.803 4.992 50 40 JJGB N#C/C(=C/c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 22535303 OKLCHTQJMUPVIA-NDENLUEZSA-N 453.473 4.781 50 40 JJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(Br)c(O)c(Br)c1 36127443 IFEWVBBMLPOYKF-QDEBKDIKSA-N 472.140 4.926 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)[C@H]3COc4cc5ccccc5cc4O3)o2)cc1 67197040 FWKXYATWFLADBF-MFWMZXBCSA-N 470.481 4.567 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)nc1 408567424 DRNCOIYGMCIUES-VULFUBBASA-N 466.632 4.805 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 408607544 DOFWXDXQAWQRCX-CTOFZRSPSA-N 479.964 4.645 50 40 JJGB CCc1cccc(CC)c1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408644168 GWYCPOKSZDONDW-TZIWHRDSSA-N 459.945 4.727 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCC(=O)O 408788095 IGNLPHUBKSDBSE-NTUHNPAUSA-N 479.714 4.510 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 408938314 QAOHFCJLSSDRCV-STZFKDTASA-N 471.469 4.896 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O 409148539 QLDZLQNOOYVYQN-JOCHJYFZSA-N 482.353 4.897 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OCC 409301010 BVAYIROHMRKMKG-JJFYIABZSA-N 498.171 4.645 50 40 JJGB Cc1ccc2cc(N(CCI)CCI)ccc2c1 4774306 YUEJJEAYPNQFDD-UHFFFAOYSA-N 465.116 4.825 50 40 JJGB COc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1OC 9693107 LOPPLYAUSKBWPV-INIZCTEOSA-N 455.967 4.885 50 40 JJGB O=C(N/N=C/c1cc(Cl)ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 9720508 LIRMWZLLIGEZRH-JGYDOUFFSA-N 460.342 4.682 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCCOc1c(C)cccc1C 41078015 MWTMOFRWQKHCML-JFLMPSFJSA-N 453.926 4.582 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 59435248 NQBGIPYZGVFWID-FBCYGCLPSA-N 478.593 4.813 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc2c1OCO2 107935968 GHWSAOJESCMXCS-MUXKCCDJSA-N 487.512 4.767 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 408609031 JAPJUNFKNWEWIN-LQKURTRISA-N 495.963 4.805 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1O 408759464 FMOQTHLVPZSNOU-SDQBBNPISA-N 466.129 4.862 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(I)cc1 408772242 FQFVHMRFCASSST-WQRHYEAKSA-N 490.341 4.700 50 40 JJGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408864589 XBYMREFJUUETFO-FDAWAROLSA-N 480.534 4.787 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 408883443 RCYIQXAXHBGIMH-SFQUDFHCSA-N 497.916 4.870 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1 408890710 XZKNPLLSALOMJA-DHRITJCHSA-N 473.470 4.642 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 408925498 RQMNRPSEUIHHTC-RCCKNPSSSA-N 489.553 4.575 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 409204676 JIZGGIBVIOLGKH-JRXNCPAPSA-N 491.592 4.949 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 409264958 HGIVLXDFVYBKNM-LDADJPATSA-N 461.905 4.917 50 40 JJGB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)cc2)nc(C)n1 948337 BFWAXJUFEFGXKK-KGENOOAVSA-N 475.574 4.563 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 19953101 XPWXVSKJIWNWFQ-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C 20059232 HABQSNSHMYAMQP-CVKSISIWSA-N 469.994 4.687 50 40 JJGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240475 IVYMDYQGJREIHD-NJZRLIGZSA-N 462.597 4.922 50 40 JJGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Cl)c1 20357137 JAUDVNKJEPYITJ-VBICMNQQSA-N 493.947 4.937 50 40 JJGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408813280 QNUKYJOPWLVEEX-XODNFHPESA-N 486.355 4.949 50 40 JJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC#N)c(I)c1 408981531 BPLBAJMLMAVKHG-ZROIWOOFSA-N 477.689 4.701 50 40 JJGB O=C(N/N=C/c1ccc(Br)s1)c1cc(Br)c(O)c(Br)c1 408994934 ICFJNAOAYKIIRI-FZSIALSZSA-N 482.979 4.505 50 40 JJGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1Cl 409008907 ADFOGVZFAZGQKK-MYSNOUKZSA-N 486.737 4.651 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 409187098 LZLKGSBKOAPTGA-SSDVNMTOSA-N 471.336 4.842 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 409253325 WWNSVHCGFCMJRA-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1783744 FXJVROPFCDIJHF-WBBAFLOHSA-N 474.586 4.600 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 1786058 VFCQFKSNZWZKBO-HKOYGPOVSA-N 466.537 4.909 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(F)cc1 9288134 HARFVXKYAJTNEO-VULFUBBASA-N 485.309 4.970 50 40 JJGB O=C1/C(=C\NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2C(=O)N1c1ccccc1Cl 12649599 HQUPOBRSFPXXRO-QNGOZBTKSA-N 475.976 4.705 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccccc1 16438014 OKAVKAVMVFRUGH-XDHOZWIPSA-N 455.352 4.956 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 19956731 ABVPAEJUZZCGDD-MFKUBSTISA-N 488.034 4.716 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccco1 20348191 ZXGVUVPQTDTUIC-IBGZPJMESA-N 492.582 4.504 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 27519479 DKNKVBIUHNSDBQ-YSURURNPSA-N 461.261 4.861 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(C)cc1 32519966 UHXQMYAQXWFHPH-VULFUBBASA-N 461.543 4.966 50 40 JJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1OC 34767348 MNCAWNBJHGCJKY-IVWKQIGUSA-N 475.885 4.953 50 40 JJGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 83312370 NQPMGPFLSKLACI-MRUKODCESA-N 480.786 4.616 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C1\C(=O)Nc2ccccc21 100894207 PQSVWISENAZVOL-UHFFFAOYSA-N 491.623 4.548 50 40 JJGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408612164 XUKWAQHTQYZUOV-KRWDZBQOSA-N 453.901 4.554 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408762786 LGOUGYMJBXNFFD-QGOAFFKASA-N 452.919 4.962 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc(I)cc1 408771907 LDFOZXQIRBFTJQ-FSJBWODESA-N 461.278 4.602 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 408792185 JEYYRJFJUUZJST-LICLKQGHSA-N 457.324 4.554 50 40 JJGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)cc1Cl 408857929 QGKQPSZAFWFHNP-XFFZJAGNSA-N 471.138 4.731 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1 408909539 UXBRCTPTJHUTCT-SSDVNMTOSA-N 484.188 4.707 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc(Br)c1OC 1092166 STERMAWUSWINHK-FIKYGGOLSA-N 456.340 4.570 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 4083546 XTIHLLABORUPDU-FYJGNVAPSA-N 483.528 4.758 50 40 JJGB C[C@@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6166401 JQCBRISWNGSMTB-ABGDNVJCSA-N 463.390 4.601 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 9204496 GRIOCNJUBBGLQF-VULFUBBASA-N 471.326 4.869 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br 15227449 SAZFHMCYXOHNBH-MPHIKFLASA-N 456.178 4.822 50 40 JJGB CCC1CCC(=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 16636797 VHKBOZGELHYRIV-UHFFFAOYSA-N 462.015 4.916 50 40 JJGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(C)C 16700218 VYONFKARWQLCLM-GMPUOFRTSA-N 470.573 4.837 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1cccs1 20025907 FQGJFZKEYRUQLC-QHCPKHFHSA-N 493.610 4.748 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1cccs1 20214593 CCMXLAJKUCWPDB-OEAKJJBVSA-N 482.414 4.791 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccc(O)cc1 32576856 IGSFDQCKSWPRPV-MXAYSNPKSA-N 450.951 4.686 50 40 JJGB O=C(N/N=C\c1ccc(OCc2cccc(F)c2)cc1)C(O)(c1ccccc1)c1ccccc1 83324903 QFQIUBJBXHBLDM-FSGOGVSDSA-N 454.501 4.791 50 40 JJGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NC[C@@H]1CCCO1 408734817 KIZHLOQDIHSAHH-FGGAIWKESA-N 457.486 4.529 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(C)cc2)cc1 409219047 IKYQIZAMBAPQSN-DICXZTSXSA-N 463.921 4.980 50 40 JJGB Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 1305406 OKVZMIQFFVJAIT-ZVHZXABRSA-N 457.003 4.685 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1839633 QITLWWVCNAHMND-WGOQTCKBSA-N 464.639 4.571 50 40 JJGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1 2433189 IBZSDBULRSYDKQ-HTXNQAPBSA-N 456.546 4.704 50 40 JJGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1Br 3088136 DRUBLKDISLRVEW-SCELWYEFSA-N 453.336 4.946 50 40 JJGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3303375 LNYAXEPYVQBKIV-MHWRWJLKSA-N 469.328 4.885 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC 6578065 PCNJDSLBOCZXGV-QGZVFWFLSA-N 455.967 4.885 50 40 JJGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)c1 9010575 PMKZXTUTAMFMNF-HAVVHWLPSA-N 498.627 4.783 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3cccc(C)c3)CSC2=C1C#N 9693472 BJTSRVLTXAJMOH-KRWDZBQOSA-N 470.392 4.986 50 40 JJGB N#C/C(C(=O)Nc1ccccc1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 59145913 WCDSZHDRJMKNPL-XDOYNYLZSA-N 458.315 4.912 50 40 JJGB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)O)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 100711321 TYDIZZPWBSYUAN-PEMLMPBLSA-N 477.586 4.702 50 40 JJGB Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S(=O)(=O)Cc2ccccc2)o1 101412799 KAOCXFUENVFXKI-UHFFFAOYSA-N 498.564 4.576 50 40 JJGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccco1 408997638 NQZGSSQDINRXNB-HJRRAOSHSA-N 479.492 4.915 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409270994 SLMKDZFSNUFCGK-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccn1 1787056 KYFKAWNIHYJDMX-AFUMVMLFSA-N 454.987 4.741 50 40 JJGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 8427139 VBJBUXRYMVWCGM-FKQNQZNOSA-N 479.536 4.948 50 40 JJGB Cn1c(-c2ccccc2)c(C(=O)CSC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)c2ccccc21 8725844 GJSNYPQNFUSNAM-SFHVURJKSA-N 454.555 4.792 50 40 JJGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OC)c1C 9459754 AJTDIAZAASSHFE-ZROIWOOFSA-N 497.554 4.849 50 40 JJGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccc(Cl)cc1Cl 13895040 FUEJWYPKGYJRQK-KBKYJPHKSA-N 462.255 4.912 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc(Br)c1O 20228162 HGXIZYKPVOYSGW-VGOFMYFVSA-N 456.321 4.832 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccco1 20348594 PQQCYJZDDXDNFU-QHCPKHFHSA-N 463.559 4.694 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc([N+](=O)[O-])cc1 30743083 YLEUBPFHZWPVAF-UKWGHVSLSA-N 479.996 4.634 50 40 JJGB COc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 36040322 IYQVPDMRIOLQMI-AMJMFHLFSA-N 492.357 4.557 50 40 JJGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680150 WUHUIOIRTJTIFX-OAQYLSRUSA-N 450.853 4.925 50 40 JJGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1 408607127 NAAXCFTVKJWAAP-LJQANCHMSA-N 479.964 4.732 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408792151 ITENHSKNVOVIEO-VZUCSPMQSA-N 470.106 4.765 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 408892006 XCUOHCSCUHULLN-AFUMVMLFSA-N 493.368 4.924 50 40 JJGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1O 408982563 HUODIASDDZSJOG-XGICHPGQSA-N 468.678 4.513 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1 408983024 ZWLHKAJKXPWJMW-ZAVGGQCXSA-N 475.545 4.602 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409225969 RVJBXJPIVKGBEB-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 705915 SYNFBKRRCBPDBJ-NRFANRHFSA-N 495.004 4.949 50 40 JJGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274975 LKOFUPDXWNHREV-GCJKJVERSA-N 460.477 4.747 50 40 JJGB O=C(N/N=C1/CCCc2ccccc21)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12602370 RIOGIWCODHLCRA-LVWGJNHUSA-N 498.402 4.720 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19948591 UEPGKQZWFPPLOQ-OVVQPSECSA-N 479.602 4.554 50 40 JJGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760830 YLTNSYWGGUALHP-SRZZPIQSSA-N 470.161 4.773 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1)c1ccccc1 28214846 JQXGAKLJFNWROV-QZCBGFPPSA-N 461.587 4.575 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I 33389754 GTCMNQKJYAGPND-ZVHZXABRSA-N 486.309 4.782 50 40 JJGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 58913629 AOBVASKZLYMBGG-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB COc1ccccc1Nc1nnc(SCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)s1 102954565 MNNSZWKAMXCQMY-CPNJWEJPSA-N 467.601 4.929 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 408724582 FTAGFOXDEAYXPJ-WJDWOHSUSA-N 474.298 4.800 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OC 408735947 ZVJPPRIMSIQADF-NTUHNPAUSA-N 482.705 4.816 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(I)c1 408761281 DRENQOSBZWGVKN-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(OC)cc1 408887035 NLTKKZIGEWHRNG-XMHGGMMESA-N 486.480 4.557 50 40 JJGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409030143 CEAOJAVDBSQKLB-YSMPRRRNSA-N 456.458 4.591 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409253790 BYKCUVBKGYMXRA-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@H]1c1cccc(Br)c1 409314196 QKMRJRPBSPJZDJ-AWEZNQCLSA-N 476.783 4.813 50 40 JJGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl 2310566 FOBUQBFXWHFLJS-MOPGFXCFSA-N 490.368 4.943 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)c1 2311173 IQFGYYMWSOXAAV-NRFANRHFSA-N 451.573 4.558 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br 3212095 NJCIDJACCZNOKV-BHGWPJFGSA-N 491.183 4.936 50 40 JJGB COc1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 8916380 HPGUVEYBMOVTFT-VWNXMTODSA-N 481.556 4.509 50 40 JJGB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCBr 9113258 AMOSJJVEVCUJJI-PDGQHHTCSA-N 464.406 4.870 50 40 JJGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O 10060145 JOYVMOUSDRCIDM-IFRROFPPSA-N 476.552 4.652 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402280 MKFIWBPZPXHEDD-VWLOTQADSA-N 478.474 4.753 50 40 JJGB O=C(N/N=C/c1ccccc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 14186201 MHHNYRVBDKEWQP-VFCFBJKWSA-N 469.566 4.846 50 40 JJGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 16712491 KIJTULXSFYTSSG-LGJNPRDNSA-N 483.384 4.879 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)cc1 33346876 VFYQEZIGZHBTSX-MLPAPPSSSA-N 457.143 4.564 50 40 JJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1Br 33410045 KEBPCGMVCRAJIH-LCYFTJDESA-N 497.130 4.998 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 59474987 JKOREBUJNJOJFJ-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCc1ccccc1 408748115 YNEYVHNXMJHJMP-MTJSOVHGSA-N 491.341 4.950 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1cccc(Cl)c1 408761085 HMORMYMZOAKAJS-MHWRWJLKSA-N 483.889 4.562 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)c2C)c1 408965213 HJDDZKFRTZJFLZ-JFLMPSFJSA-N 459.502 4.790 50 40 JJGB COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1C#N 409008302 VLYRSJXOLMHUNL-XODNFHPESA-N 475.618 4.675 50 40 JJGB COC(=O)COc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409216114 FEKZBCTWGKZZMT-MLPAPPSSSA-N 496.111 4.736 50 40 JJGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)ccc1Cl 2399834 CHFVLZWZHCRESA-XMHGGMMESA-N 494.979 4.595 50 40 JJGB Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 2436035 MDXZFVDLSNGLTQ-NDEPHWFRSA-N 493.954 4.753 50 40 JJGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3088258 ZPMQTKUZPGFCKI-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3092012 MATZHVMTRBTCBZ-WBSLVUJQSA-N 495.560 4.889 50 40 JJGB CCOc1cc(C(=O)NNC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 9908189 FKSDBJFOEXNDAS-BTVKBFDZSA-N 489.682 4.597 50 40 JJGB O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 15018712 YQHIMDQFIBWOFC-KIBLKLHPSA-N 491.202 4.662 50 40 JJGB Cc1c(Br)cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br 35494411 JTKTYMUREKIWLA-UKWGHVSLSA-N 489.005 4.975 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 37390774 VNXWDCQDIMYITL-QRVIBDJDSA-N 499.277 4.751 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1 408608369 PGSSRHBYYWEJMO-IBGZPJMESA-N 479.964 4.814 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 408753221 FLXZZGBEACEWJN-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)Nc1ccc(Cl)cc1 408762111 NAIWXBGKPRONHC-OGLMXYFKSA-N 472.932 4.912 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(Br)cc1 408767346 ZNCVFLDOXYSKAQ-DHRITJCHSA-N 486.753 4.884 50 40 JJGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 408769252 PWUCQVDRBRNSOH-GHXNOFRVSA-N 465.145 4.529 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)cc1 408794061 HQHQOIFKBVEQPP-UDWIEESQSA-N 487.468 4.816 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408795833 NHATZUYBRNOUDP-MDWZMJQESA-N 482.705 4.898 50 40 JJGB COc1cccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 408829257 OVGMTNMCDNVUFU-SGWCAAJKSA-N 493.629 4.751 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409066647 NQZZDIAENRTLEJ-AQTBWJFISA-N 452.919 4.962 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409256225 KQUOTBOBVOTUHU-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409315550 NQKRGKCBRIQMEX-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB O=C(N/N=C/c1ccccc1Cl)c1nn(Cc2ccc(Br)cc2)cc1Br 1091853 FBLDDMRWUCVOCA-LSFURLLWSA-N 496.590 4.874 50 40 JJGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3I)cc2[C@@H]1c1ccccc1 1226810 XHTREUHTIBVJCQ-IQFHQVDXSA-N 493.304 4.966 50 40 JJGB CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 3644107 VHNYHJNMKIDPKK-LVZFUZTISA-N 488.588 4.543 50 40 JJGB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)NNC(=O)c1ccc(Cl)cc1 9662454 UBQUYLQXROXBME-UHFFFAOYSA-N 479.370 4.811 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 10130511 FZZYVVJZJASPBK-ZHZULCJRSA-N 471.513 4.575 50 40 JJGB C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c1cccc3[C@@](C)(c1ccccc1)CC2(C)C 12407383 IUVBMXOKIJIXAJ-VTKDWPOHSA-N 479.580 4.736 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1[N+](=O)[O-] 15229880 DDNSETSSRRYPDD-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650341 JRLDNDFCKWHPKM-RUZDIDTESA-N 456.498 4.921 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 408610566 OFHQDXISMMEDBR-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@@H]1C#N 875459 ZZELSQUMGNWWJZ-UZLBHIALSA-N 497.374 4.758 50 40 JJGB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccccc3O)n2-c2ccccc2)cc1 1084392 NDBGSNGTQYTBPU-UPHQNKNSSA-N 486.601 4.524 50 40 JJGB COC(=O)c1ccc([C@H]2C(C#N)=C(c3ccc(Cl)cc3)Nc3nc(C(F)(F)F)nn32)cc1 2654125 YIKVDTLKKVRTRD-KRWDZBQOSA-N 459.815 4.687 50 40 JJGB N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccccc1 9311111 ZHXMOPWLEBBMJP-XSFVSMFZSA-N 452.489 4.642 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccccc1O 9357954 FHTYROCFSVMSCL-ITYLOYPMSA-N 457.559 4.581 50 40 JJGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 16157587 IGKLWEAUINPQGJ-VULFUBBASA-N 468.962 4.948 50 40 JJGB N#C/C(=C\N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1 17223335 FZLJHFNLNQKFRB-OGCDXQGUSA-N 450.526 4.970 50 40 JJGB O=C(CCCCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2 33679137 OSGSDRIYFUXPAO-GOLAWLNDSA-N 458.606 4.605 50 40 JJGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 35088706 NLSWADOGXPZANK-QGOAFFKASA-N 461.905 4.912 50 40 JJGB COc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 36040320 IYQVPDMRIOLQMI-FFRMTQKISA-N 492.357 4.557 50 40 JJGB COC(=O)N/N=C(\C)[C@H](CN1CCCCC1)[C@H](C1=C(O)c2ccccc2OC1)c1ccccc1 102957210 AEKMAVFCRPYIEQ-GJXITAJBSA-N 463.578 4.966 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)ccc1O 408734346 XVTWZNKBXFJWPJ-ZMFRSBBQSA-N 480.362 4.838 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1O 408735097 NVYRLAMAGIXIJF-LFYBBSHMSA-N 468.678 4.513 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cccc(Cl)c2)cc1 408790048 MSUCEDIBXQIQIC-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 920409 TXSSYBXEQZKZNF-UDWIEESQSA-N 453.473 4.781 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nnc2-c2ccccc2)cc1 1830471 MGBVPFGITUGVCX-WPWMEQJKSA-N 471.586 4.884 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 6016662 NWUXAQZDESOKKL-MFKUBSTISA-N 467.367 4.812 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc(Br)ccc1O 14408642 HLFLSUVXFACAHO-LSFURLLWSA-N 463.671 4.530 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)c(Br)c1O 83299043 JGIGESRVOACUPH-DNTJNYDQSA-N 476.552 4.733 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408776037 MPNDYMXYMQCVJG-IUXPMGMMSA-N 488.338 4.767 50 40 JJGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 408856167 IVDUIKWARFZPAG-KAMYIIQDSA-N 476.341 4.611 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc(Br)c3)c2)cc1C 409008336 WCIXMDBRSAWKEA-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccc(F)cc2)cc1 409057148 IWSRHPUANHEYBO-STBIYBPSSA-N 489.572 4.629 50 40 JJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c1 409066063 GWLHMWXPXZUHDY-RMORIDSASA-N 477.698 4.619 50 40 JJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 409257758 QBNWZEGAFWRQDG-SSDVNMTOSA-N 468.189 4.908 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 409340791 BAQYRZNFMWGMNW-UVHMKAGCSA-N 486.341 4.738 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)NNC(=S)Nc1ccccc1 1812405 NOQFAGCRCSGWMZ-UHFFFAOYSA-N 482.081 4.594 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888720 FNKMHJUSAUWBBM-YMGIJWJESA-N 457.530 4.568 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 2213403 APBAMKWOLZQOBU-MZJWZYIUSA-N 495.967 4.978 50 40 JJGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274977 LKOFUPDXWNHREV-XMSQKQJNSA-N 460.477 4.747 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1C 19949271 AXEGJWKOVWFYCV-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 20558489 WNDZPJGSLFFJME-DEOSSOPVSA-N 487.556 4.915 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59248298 SPLAIYNLISQDIN-NDENLUEZSA-N 458.470 4.527 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)c(OCC)c1 408606900 RRNWZVCTCMYKLG-HSZRJFAPSA-N 490.585 4.569 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408763892 PQEIGSVBRSZNAR-JXAWBTAJSA-N 452.919 4.962 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408775930 WXLLKDIGCXZICR-SZXQPVLSSA-N 463.603 4.602 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408786511 RPHJAOYJDXACBR-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)cc2OC)cc1 408898719 MNQDHMFEEYAUKM-VULFUBBASA-N 497.345 4.758 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1Cl 409108490 WGPQZVGHJQJGPQ-DEOSSOPVSA-N 462.889 4.874 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1)S(C)(=O)=O 409112904 GYBGXGGUHOMLGE-WPWMEQJKSA-N 479.602 4.512 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 409148592 YSADCWFHPCDUGL-OAQYLSRUSA-N 481.346 4.851 50 40 JJGB COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409195854 RFJOYRLZXUCPRR-RCCKNPSSSA-N 495.535 4.681 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409268023 YUVMDDVSRYQXDK-KGENOOAVSA-N 455.514 4.875 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 2308418 WMCCMCMJMXYMOK-VUTHCHCSSA-N 468.509 4.510 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)c1 3116496 JXUVKGXQPFPBQI-VULFUBBASA-N 466.335 4.539 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1ccc(C)cc1 8993775 PCZQTTKXGOREDY-HAVVHWLPSA-N 490.556 4.685 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1OC 9289527 LDUYOLPPPKKFEN-CVKSISIWSA-N 483.362 4.738 50 40 JJGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1 9381891 ILPPDVGJEWKSGR-SFHVURJKSA-N 472.636 4.623 50 40 JJGB COc1cc(Br)c(Br)c(/C=N/NC(=O)Cc2cccc3ccccc23)c1O 9553736 CTRLGJWVBVQELC-FOKLQQMPSA-N 492.167 4.772 50 40 JJGB O=C(N/N=C/c1cccs1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20232989 IVMNRZBABLUIHW-NLRVBDNBSA-N 475.595 4.908 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1Cl 23723771 PQDZJBRBRPGLCU-JAAUEDEYSA-N 481.980 4.968 50 40 JJGB O=C(CCSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408779231 CCVVNXQAGVCBLL-WGOQTCKBSA-N 467.978 4.990 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2F)c(F)c1 408966962 OHSFGRQQMRWXFC-KKMKTNMSSA-N 470.273 4.942 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 409031981 IGKYFXUFTJJXSQ-JLHYYAGUSA-N 455.297 4.687 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OC 409309055 AMLSQMBOPUAYMT-NTFVMDSBSA-N 464.493 4.751 50 40 JJGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(OC)c(CSc4ncccn4)c3)ccc21 9562620 BTINVDVCAMHWIF-MUFRIFMGSA-N 474.590 4.610 50 40 JJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4OCC)CSC3=C2C#N)cc1OC 9693273 XZRMWGIBDZFSCQ-GOSISDBHSA-N 465.575 4.712 50 40 JJGB O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OC(F)F)cc1OC(F)F 15913902 REMGBANQOSDUII-VFLNYLIXSA-N 492.425 4.998 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(OC)c2)cc1 16440100 XGFNHIPZVVEJGW-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(NC(=O)c2cccs2)cc1 21971368 IFLCDOAMJXYODP-UHFFFAOYSA-N 465.531 4.943 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 22740609 DLOYTFJVCVTDBN-QFIPXVFZSA-N 483.459 4.921 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc(Br)c1O 59435247 QTFKRBBJWXWKTQ-FBCYGCLPSA-N 478.593 4.813 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1 96663170 GOWQUYHOIZMVTE-DKTFCQPKSA-N 450.130 4.702 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCc1ccc(Cl)c(Cl)c1 408606783 AYUYOGQHDUJOLK-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1O 408725131 JLNZLYYXCMELSW-GHXNOFRVSA-N 468.678 4.595 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1 408961015 KZOYWRWUXATCOD-ZMOGYAJESA-N 460.402 4.592 50 40 JJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 409004633 XVTKVMHTEBRGLD-UGFFDMHVSA-N 475.548 4.863 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc(Br)c1OC 1092164 STERMAWUSWINHK-KIQCMGJBSA-N 456.340 4.570 50 40 JJGB COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 9805695 LLYJYKUGDKDLCA-LQKURTRISA-N 492.988 4.680 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 12463276 UOVYWHRWKPTOHM-JCMHNJIXSA-N 458.634 4.780 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2C)cc1 20059992 CAVFGWOKUIUOST-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1Cl 58913580 IZXXZGVYDZLLAZ-KVSWJAHQSA-N 492.885 4.864 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1 58913688 PDFIRHDGIFHHGM-OGLMXYFKSA-N 454.530 4.735 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 59472826 YNUBRHJMTNGJLR-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CN(/N=C/c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(=O)C(Cl)(Cl)Cl 91695361 OZQBNDYMDMVYES-KIBLKLHPSA-N 467.706 4.996 50 40 JJGB O=Cc1cc(Br)ccc1O[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br 100293914 BLLFLEXWBCJYNS-DILOTOHQSA-N 465.185 4.677 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408609817 LPMFWWXSAXTPLN-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(F)c3)c2C)ccc1I 408773864 MQENKSVSOQFEGR-WYMPLXKRSA-N 475.305 4.910 50 40 JJGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408861497 BJZFPTNNTAAZIV-LYAXJZIPSA-N 486.597 4.573 50 40 JJGB N#C/C(C(=O)Nc1ccc(F)cc1)=C(/C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408873530 VLURENHXUFLDGW-GHVJWSGMSA-N 474.879 4.979 50 40 JJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)c1 408904737 NUTCMXXRVNYPHU-RMORIDSASA-N 453.794 4.717 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409239398 NDWZGSIZVIVFRW-ZMFRSBBQSA-N 471.872 4.668 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1OC 409316861 RHZGRZYHSALXFD-JJFYIABZSA-N 498.171 4.558 50 40 JJGB O=P(C(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)(c1ccccc1)c1ccccc1 1766793 OPVWSJHDUILOKT-UHFFFAOYSA-N 484.583 4.572 50 40 JJGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 2310287 XHMBNPWOWMWRPZ-PMACEKPBSA-N 469.950 4.680 50 40 JJGB O=C(CSc1ccccn1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 9086477 LHJNPGSVMSNQMG-ZMOGYAJESA-N 456.365 4.666 50 40 JJGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(OCc4ccccc4Cl)c(OC)c3)ccc21 13109137 DYNLGJPRIKQTID-UHFFFAOYSA-N 492.963 4.680 50 40 JJGB CC/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(O)cc1 13596465 CHMGXJLYQLYYRM-VYIQYICTSA-N 471.586 4.971 50 40 JJGB Cc1cccn2c(/C=C(\C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(-c3ccccc3)nc12 27460298 UJHGGTQOWZMKJC-NBVRZTHBSA-N 481.581 4.895 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)o1 34688394 XZFVSEVAQSDXGQ-GDNBJRDFSA-N 452.850 4.764 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc(Br)cc1 408529486 JVKBMWOEQHYTBG-CVKSISIWSA-N 483.362 4.956 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 408756391 ZJEJFHNDJAUPGE-CVKSISIWSA-N 496.361 4.629 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408895583 LJODDEBWEPKZLG-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 409027590 GDLPBHGGCMFIOM-CVKSISIWSA-N 490.412 4.901 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1)c1ccccc1 694941 OTDXSKDPVRVBMS-JVWAILMASA-N 458.905 4.568 50 40 JJGB O=C(COc1ccc(Br)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 1052376 ZWNLLJBQQFESIG-CVKSISIWSA-N 475.346 4.831 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccn(Cc2cccc(Br)c2)n1 1081796 NXLNAGJPPJQLLJ-LSHDLFTRSA-N 452.139 4.765 50 40 JJGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1 2077310 RBSCOQJBLLXAQB-ZVBGSRNCSA-N 490.579 4.793 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC3=C2C(=O)CCC3)ccc1O 2209086 AOGSNNWTSFUEJI-DEOSSOPVSA-N 475.570 4.510 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 2807782 ZDKXJNPHIBBQDH-OQLLNIDSSA-N 450.838 4.990 50 40 JJGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1OCC 3588684 HLZKCALYRRHHFI-CXUHLZMHSA-N 454.317 4.724 50 40 JJGB O=C(CCl)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 8767666 MBDLKZGUIPXLQI-UHFFFAOYSA-N 463.748 4.533 50 40 JJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 28213592 UEOVDDSOKAKANB-MZJWZYIUSA-N 465.550 4.535 50 40 JJGB O=C(CNC(=O)c1ccccc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408812183 BTQSDMCJBJTANK-OKCVXOCRSA-N 471.944 4.952 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408813975 FMMAFQFJQQBOIA-NTEUORMPSA-N 478.261 4.549 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408925590 SFKKDYGMJASVGE-NBVRZTHBSA-N 460.873 4.891 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C 409011582 GLQNOUYPNOKBQX-IONSAMEVSA-N 489.616 4.997 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409225771 OSYQCLAGCVPMNX-YYKDSVGLSA-N 479.876 4.640 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2cccc(C#N)c2)c1 8812879 DDWHTOAUSNUWNP-VULFUBBASA-N 464.319 4.672 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1CC(C)C 8882313 BFULHHANNIWOOY-VCHYOVAHSA-N 464.591 4.588 50 40 JJGB CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 31870177 MRWAFCRTGJWTKC-PKAZHMFMSA-N 471.586 4.884 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1 408774187 AVULUXXFFXBXAV-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408892093 BBGPXEJFBIHDTK-DHRITJCHSA-N 493.368 4.842 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 408910443 WQCMITXWRJWUDF-BIAHDLMSSA-N 487.600 4.998 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1Cl 408945622 XANAOOBOCUNTFR-RWPZCVJISA-N 474.948 4.998 50 40 JJGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2ccccc2I)cc1Cl 409008906 ADFOGVZFAZGQKK-BTXKWLAHSA-N 486.737 4.651 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409020526 QFAOJPJNWWSCGR-RPPGKUMJSA-N 467.453 4.568 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2cccc3ccccc23)c1 409033858 MDDBRBZHTZZWKU-WUKNDPDISA-N 450.494 4.842 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409069395 KRQZKQLUGUDXLR-GHRIWEEISA-N 498.944 4.758 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC)c(OC)c3)cc2c1 409186886 JCAYSRMBVCFVRO-FMCGGJTJSA-N 461.312 4.765 50 40 JJGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)cc1 2670429 NKXZQKQRQIZEGF-SFQUDFHCSA-N 457.324 4.960 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 8454623 BNIQEJSPICHOBC-QFIPXVFZSA-N 499.361 4.681 50 40 JJGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(C)/C=C/c2ccccc2)cc1OC 9720529 MPPFEAPKGKNHLG-NWJFNFOHSA-N 469.541 4.680 50 40 JJGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 16713700 KKVWBJRVBVPBIF-CCOQBKANSA-N 468.557 4.615 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 20244111 LRNPIJVFEMGCMB-OGLMXYFKSA-N 459.546 4.774 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c3cc(F)ccc3F)c2C)cc1 21183456 OBPGLRGREWDXRW-WOJGMQOQSA-N 450.441 4.714 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 27017798 DBKXXUBFTNZHKW-KZTQLJDNSA-N 456.546 4.530 50 40 JJGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408612895 XIHLRRICDKZODM-LYORIEDSSA-N 456.757 4.591 50 40 JJGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccccc2)c1 408889209 ATEIDDXWOUZXTE-QGOAFFKASA-N 452.919 4.962 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OC(C)C 408933350 AVMSGSXJTXSXBF-JJFYIABZSA-N 478.286 4.597 50 40 JJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408955847 UVEUDAMHFLUGKQ-UYRXBGFRSA-N 453.458 4.529 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccccc1 408980674 SDBZGFODRYCDMS-IAEWTUJKSA-N 493.567 4.889 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1Cl 409312853 MVLLJNYRNGVOED-ZDUSSCGKSA-N 480.348 4.852 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)ccc1OCc1ccccc1 409314553 SBBAPSQWTQVRQO-WGARJPEWSA-N 454.910 4.796 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409334076 RNGKNDXMCUVIGZ-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1ccc(OC(F)(F)F)cc1 3135767 NNPZNYBJSQJUBN-SECBINFHSA-N 468.284 4.677 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3cccc(C)c3)CSC2=C1C#N 9693471 BJTSRVLTXAJMOH-QGZVFWFLSA-N 470.392 4.986 50 40 JJGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@]2(C(=O)N(C)c3ccccc32)C2=C1CC(C)(C)CC2=O 12372448 FIWSBUBJQXISCO-HHHXNRCGSA-N 472.976 4.720 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)c1 35352325 HCQXJAMUQQNVBB-LQKURTRISA-N 455.514 4.806 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 57315301 ZMMUDNHWCOPRRA-OVVQPSECSA-N 477.406 4.535 50 40 JJGB N#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 408848583 RDKNQVJLJJSQLY-YVNNLAQVSA-N 477.112 4.624 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408882211 QKVLHDXHPZWEMZ-MDWZMJQESA-N 468.809 4.971 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c([N+](=O)[O-])c1 408898128 UTIHTLMCYIUWRJ-LICLKQGHSA-N 461.405 4.507 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC(C)C 408911585 OBKQLIVIFNPASH-JVWAILMASA-N 497.389 4.631 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)Nc1ccccc1C 409011937 ICCJFMNJERLDNK-RDRPBHBLSA-N 482.540 4.576 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 409139943 PIQONGZEYKTASB-NRFANRHFSA-N 469.310 4.982 50 40 JJGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888904 IRFNWHKFBUWFCT-IEQIIXMPSA-N 485.584 4.919 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(F)c1 2052912 VNPGMMHNHOFCFR-MUFRIFMGSA-N 478.520 4.880 50 40 JJGB CC(C)(C)c1ccc(/C=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 2756686 IODSNZKTFZJZKL-WTIJGKOKSA-N 470.529 4.814 50 40 JJGB CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc2c1CCCC2 3291600 IZEIFTLRVDORFJ-RVDMUPIBSA-N 472.950 4.546 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1 3628395 NVRGADUMNNNFRR-XMMPIXPASA-N 462.889 4.874 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 10060125 OUFIOWPYGGJLRG-DHRITJCHSA-N 467.865 4.548 50 40 JJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc(OC)c(OC)c1)oc1ccccc12 16136982 PHVYHFYAHSXDPW-MUFRIFMGSA-N 489.528 4.675 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 19948912 ZYXGLRKQPDCRQL-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 19949497 PYQWADCBUDUAJC-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 20059545 OXTXYQFEAYRZJF-UHFFFAOYSA-N 454.379 4.625 50 40 JJGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccc(OC)cc2)c1 23215923 WUWNOAVQXDHNQB-DEDYPNTBSA-N 471.513 4.859 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccnc1 30904764 USHXPUKHEZNUPW-ZMFRSBBQSA-N 483.384 4.879 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C 34687534 OLGHUFLICINXLZ-JFLMPSFJSA-N 472.501 4.937 50 40 JJGB Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Br)cc1 34857008 MOTZOJJDOOQULB-QFEZKATASA-N 482.334 4.938 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])o2)cc1 35211914 CEBXFXKVLKIUQP-YSMPRRRNSA-N 458.474 4.938 50 40 JJGB COC(=O)/C(=C(/S)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100495321 GNMNOYNCQIUFCE-UHFFFAOYSA-O 498.564 4.682 50 40 JJGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 107145826 KFAWFMRSEKZNPG-OHVPOGFWSA-N 457.983 4.849 50 40 JJGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c1C 107658099 GVEUNCFMADUDEI-LQKURTRISA-N 455.514 4.806 50 40 JJGB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408690980 XNVBLEXJTAQRJA-QMROVXIMSA-N 462.727 4.642 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1CC=C 408820592 XBQWVQLIRNNYIY-MOSHPQCFSA-N 467.363 4.974 50 40 JJGB C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 408954318 NIDHJHYBSXTQHU-FYWRMAATSA-N 470.438 4.683 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc2ccccc12 409234060 YIRGISRYFOODQB-ZDLGFXPLSA-N 494.345 4.682 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 409269696 LUQLCPLGJFYKSI-BLLKKSLCSA-N 491.975 4.821 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)ccc1OC 409313566 CDSGEYDDADFQDH-YUMHPJSZSA-N 493.516 4.744 50 40 JJGB Cc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br 1092026 XPCXOGLVMMQVNR-LSHDLFTRSA-N 476.172 4.529 50 40 JJGB COc1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 1251986 NNXRKVCZYKDZLK-IAPPQJPRSA-N 471.564 4.774 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 1479204 QJPXXICCUNXMMJ-JFLMPSFJSA-N 492.992 4.624 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1C#N 4180245 KBAHAJCVLDPYIL-UZWMFBFFSA-N 491.547 4.532 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccn1 8916782 ATASRXZUEKPBJZ-ZMFRSBBQSA-N 483.384 4.879 50 40 JJGB CCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC 9204735 CDLFNEOUDNSFBG-YDZHTSKRSA-N 453.764 4.983 50 40 JJGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1OC 9292892 CFCYHHCRCILZIJ-SFHVURJKSA-N 456.424 4.721 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cc3coc4c(C)c(C)ccc34)cc2)n1 16491542 IWIMFJUVUVKBOG-UHFFFAOYSA-N 474.586 4.752 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1 20348503 ROQRPSRBPWAQPI-HSZRJFAPSA-N 463.534 4.623 50 40 JJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 58913313 LAJFAEOZLAJCCV-XODNFHPESA-N 456.468 4.819 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(F)cc1 408609753 RVWXAHUKJXOTDR-GOSISDBHSA-N 497.954 4.953 50 40 JJGB Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccn3)S(=O)(=O)c3ccccc3)cc2)cc1 408721344 PMFBRLSBDUPJPX-VUTHCHCSSA-N 484.581 4.549 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC 408725602 MNAKRSKUUKTWCU-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408757838 CZPLGSGPTNXMEX-BRJLIKDPSA-N 450.838 4.586 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 409237759 LNCWAMKYCLBADN-MKYLKIGJSA-N 473.504 4.636 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409312726 LYPOAKPCARPWEP-QGZVFWFLSA-N 455.967 4.758 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OCC 409313329 PKUYGUOKZLMKGV-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409366487 VHABUXDPYLQINV-AUEPDCJTSA-N 477.702 4.833 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 1888436 WCEMCIGAOMTJBB-SRIJWZPRSA-N 471.376 4.747 50 40 JJGB CC(/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C\c1ccccc1 8427130 WKFYCNUAOKZDQB-PTXCKIQWSA-N 452.558 4.729 50 40 JJGB O=C(NC1CCCCC1)NN(C(=O)NC1CCCCC1)c1nc(-c2cccc(O)c2)cs1 8754544 NWBZRXJPZCOTTC-UHFFFAOYSA-N 457.600 4.911 50 40 JJGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1 10118659 WTYLYWZAEMRUNU-OEAKJJBVSA-N 456.283 4.773 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccc(Cl)cc4)c3)[nH]n2)cc1 17015638 CNOVRMSWVNIFLD-RWPZCVJISA-N 488.931 4.860 50 40 JJGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1 83318935 IHJOMKYJTAVBIP-BRPDVVIDSA-N 491.657 4.676 50 40 JJGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1[N+](=O)[O-] 108975721 IZHLXPXAJKIGJJ-DICXZTSXSA-N 488.500 4.947 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542063 JUTRTVKVGAYAGD-PKAZHMFMSA-N 477.586 4.726 50 40 JJGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C(=O)OCC 408546954 PKKQNWBEFLOLRA-QGOAFFKASA-N 467.543 4.694 50 40 JJGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccccc1 408603623 GPSPMGJBZLIIDE-IBGZPJMESA-N 479.964 4.732 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(=O)OC(C)C 408605983 ZVGCJADARGOQQS-VYYCAZPPSA-N 460.486 4.689 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1Cl 409333232 JGILYDQJZNXPPS-MRXNPFEDSA-N 455.967 4.676 50 40 JJGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2)cc1 409366011 ZBILDECWZCOMFT-VULFUBBASA-N 452.352 4.899 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1cc(Cl)ccc1Cl 1107246 TYQRXPMROZUTKY-FQEVSTJZSA-N 457.317 4.831 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1O 2266178 KVYKMJZPPQWNHK-OGLMXYFKSA-N 483.597 4.919 50 40 JJGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 5329568 QVYMFFWFPNICED-UTINFBMNSA-N 473.976 4.570 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(F)cc1 8812325 FXKGTQYZHSGKQD-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB C[C@H]1CC2(CCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(F)cc1c32 14162293 FWHIXZQSFLIYNI-PGGUUEOZSA-N 461.537 4.597 50 40 JJGB COc1ccc(C(O)(C(=O)NN(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 15240273 MPWBNXQADADKMQ-UHFFFAOYSA-N 454.526 4.809 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(OCC)c2)c(C(=O)OCC)c1C 34864626 VKVZGAIXTDBVBX-LDADJPATSA-N 499.585 4.926 50 40 JJGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccc3ccccc3n2)c2ccccc21 38163530 SXDLYEHYNZFXCB-GNVQSUKOSA-N 457.578 4.575 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Br 408900208 UCEWZAFYWBHPCX-WUXMJOGZSA-N 495.127 4.983 50 40 JJGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2[N+](=O)[O-])cc1 1085014 SWVFAZFGDUSADV-HSZRJFAPSA-N 459.502 4.933 50 40 JJGB CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 1436753 KUYDAPYEAVGPKI-QFIPXVFZSA-N 463.379 4.820 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nc3sc4c(c3c2=O)CCCC4)cc1 2209764 UKVACGNQCFFHEN-DHRITJCHSA-N 494.667 4.938 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 3092085 HGNONOAJPKOYKY-JFLMPSFJSA-N 475.501 4.775 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 6600604 MIPQFJUYEOPXKL-CVKSISIWSA-N 467.909 4.919 50 40 JJGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 16408516 DMXGQYRCLBETTI-IZZDOVSWSA-N 454.093 4.905 50 40 JJGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 83301761 SMQZISYDEULJEU-ISAGNRBTSA-N 450.510 4.767 50 40 JJGB Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3ccco3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408823244 NJFSFXBQRWEENR-JVWAILMASA-N 491.569 4.644 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1O 408842394 JSYYVLHZPXGKRD-BRJLIKDPSA-N 458.301 4.724 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1 408887574 RWUUHNDLDMNILK-WPWMEQJKSA-N 451.442 4.813 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 409017520 RXLQUZBIDMCRFD-AZRHXHGOSA-N 494.419 4.759 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 409017523 RXLQUZBIDMCRFD-UNVWIVDUSA-N 494.419 4.759 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCC(=O)Nc2cccc(C)c2)cc1 409042766 COCPODAZDVCBLH-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)C(C#N)=C(N)O2 409126833 PJEFXXHNIJBDIY-LJQANCHMSA-N 471.742 4.931 50 40 JJGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)NC1CCCC1 409190147 LLWYORFHSWUXDD-ODLFYWEKSA-N 450.336 4.866 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 409357323 PXNNDRQRSRAFIO-LGJNPRDNSA-N 497.345 4.919 50 40 JJGB N#C/C(=C\c1cc(Br)c(I)o1)C(=O)Nc1ccccc1Cl 9262647 FIJPQKOSCBTAMW-VMPITWQZSA-N 477.483 4.846 50 40 JJGB CCn1nc(C(=O)N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)c2ccccc2c1=O 12524949 FSRUUQTXJAOFAD-JFLMPSFJSA-N 455.543 4.779 50 40 JJGB C/C(=N\NC(=O)CCc1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 20158105 MFCDJYJYDCRNPA-DHRITJCHSA-N 457.939 4.538 50 40 JJGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(Cl)cc3Cl)c(=O)c2c1-c1ccccc1 31783358 FOAVMJWCVKRUTE-KALUYTGESA-N 471.369 4.891 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NCc1ccccc1 34897193 YLBCCWIRYIRUBO-XDHOZWIPSA-N 463.896 4.720 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(Cl)cc1 59500508 KWXGMFZDPQICIY-DICXZTSXSA-N 479.920 4.680 50 40 JJGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C12CC3CC(CC(C3)C1)C2 84380099 OJYAYSHTIMTBQC-URZMKBGNSA-N 490.604 4.677 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c(C)c1 408676705 MMPHLIKSGLBDLS-OGLMXYFKSA-N 458.562 4.553 50 40 JJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 408809224 NMYNCTNCHLEYRU-SFQUDFHCSA-N 455.308 4.736 50 40 JJGB COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O 408852897 OEIYUGQFKSRVNU-YUMHPJSZSA-N 470.485 4.839 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 408886288 FXFZHDYVWHBDCE-PXLXIMEGSA-N 484.508 4.945 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408905567 ZIHXXVMVEGMNMB-AUEPDCJTSA-N 453.794 4.717 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 408944310 UZSZHCDJOBXXIV-VULFUBBASA-N 490.412 4.643 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409218982 MAVFAQBACVGWFT-LYBXLGKESA-N 479.876 4.640 50 40 JJGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 409232921 SYBLNNIQVNIOTE-BRJLIKDPSA-N 499.434 4.986 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 409260960 ZBDOULIKCAOVJW-HMAPJEAMSA-N 483.524 4.653 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OCC 409314709 SDWOTEVFWCBUKZ-QRQIAZFYSA-N 476.529 4.915 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Br 409343149 CPSQCDJXLHRHKG-XODNFHPESA-N 481.325 4.601 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4nncn4C)cc3)c2C)cc1 2662436 NMOBRKYKMGYUJR-JFLMPSFJSA-N 488.617 4.678 50 40 JJGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cccc(OC)c1OC 3175143 HFTQEXAEZQNTLI-MJDKSPQASA-N 471.351 4.927 50 40 JJGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)Cc1cn2ccsc2n1 8826087 DDFPELSKQMSQKS-LIMNOBDPSA-N 481.796 4.602 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccnc1 10000492 MFCHDWDSEOOKIP-BHGWPJFGSA-N 489.167 4.950 50 40 JJGB CC/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(O)cc1 12467960 CILLHLRKAMDPAM-RELWKKBWSA-N 458.634 4.867 50 40 JJGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccccc1Br 16248321 CTWOHEYUYFNSPZ-UHFFFAOYSA-N 486.476 4.992 50 40 JJGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 17170429 LLTXEOWLGKYWFK-UKTHLTGXSA-N 460.427 4.530 50 40 JJGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 27532486 NBUJQRXXKPAALB-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1ccccc1Cl 408602721 FKQBBEBUOHRKKK-IBGZPJMESA-N 479.964 4.732 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(F)cc1 408613096 ZHPVRAMXEMPBIG-OAQYLSRUSA-N 491.563 4.916 50 40 JJGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 408767118 JADQIKKQWVEIMG-WYMPLXKRSA-N 450.340 4.577 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 408968150 WSXFTLXKRSECGP-MXAYSNPKSA-N 498.333 4.891 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1 408980838 SXRNOGSZMALSCI-JEWPKMHUSA-N 450.514 4.561 50 40 JJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409076718 BYZALAXUVZGUBL-RPPGKUMJSA-N 457.313 4.994 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccc(Cl)cc1 409206100 HQJLGEFZXMCEML-LWKXQZBCSA-N 463.921 4.564 50 40 JJGB COc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 409379561 XUTXULTUFQAQCH-JXAWBTAJSA-N 461.905 4.912 50 40 JJGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 1022839 ASZIITNXZBXTMZ-OAQYLSRUSA-N 495.004 4.895 50 40 JJGB COc1cc(OC)c(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1Br 1081892 WPBNUAUCNUTZOJ-FIKYGGOLSA-N 456.340 4.570 50 40 JJGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cc(-c2ccccc2)n[nH]1 1106549 YIMIAXLWLHXMCV-MXNGAVTRSA-N 471.520 4.911 50 40 JJGB CCCCN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2cc(Br)ccc21 2334798 KRDPHMWIRGPIRN-NFFVHWSESA-N 479.378 4.681 50 40 JJGB CCC(CC)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 8809629 NPQGAMSUZCEZTQ-UHFFFAOYSA-N 470.003 4.678 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 12429092 WWEWEVHIRJOUEP-LJQANCHMSA-N 471.561 4.650 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1OC 12555500 WJYPCEUGDXKOJX-WPWMEQJKSA-N 450.564 4.557 50 40 JJGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 16735960 YASZYEGDMOUTHN-JQIJEIRASA-N 472.888 4.694 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 20060012 MYYZBAUYMRSTIZ-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 59101491 WBUCVRNVCYFEJU-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB Cn1cccc1P(=NC(=S)N1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 102134541 KWSVXPAQPJLDOT-UHFFFAOYSA-N 484.609 4.610 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCc1c(Cl)cccc1Cl 408610560 OEICHCJTVVCOKL-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB O=C(CCCl)O[C@@H](c1nc2ccccc2[nH]1)[C@@H](OC(=O)CCCl)c1nc2ccccc2[nH]1 408975231 KVOAXIZPVANTMX-WOJBJXKFSA-N 475.332 4.566 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 2410445 HXGBUEFBUNLYGH-KNTRCKAVSA-N 466.497 4.740 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2417460 GWCACJKHYBWXMW-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccncc1 8853934 FSRZEWOVXARHIC-WPWMEQJKSA-N 466.526 4.837 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@@H](C(=O)OC)C(O)=N2)cc1 8969721 LIXOVGJUYAIPQQ-NHCUHLMSSA-N 483.977 4.852 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 16248119 YJMVAZHDIUAVQO-JVWAILMASA-N 498.004 4.999 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC 32576882 FLGJZDKONFFORJ-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1I 33746694 LSVZQLCHYBMYRA-KEBDBYFISA-N 495.298 4.577 50 40 JJGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1cccc2ccccc12 59536533 QJHLOJQHMJJJTP-FSJBWODESA-N 474.298 4.502 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O 214515750 BUMSZCCRTSOLQY-MYKKPKGFSA-N 460.273 4.950 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccccc2)cc1 409185188 UAYYRUVAQKPWQI-UHFFFAOYSA-N 455.624 4.899 50 40 JJGB C[C@@H]1CCCCN1c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-] 409334896 MNYFIGDPUVEUAN-HNMKQIAWSA-N 453.506 4.677 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2418517 CSHYTXJJOGWMIA-OBGWFSINSA-N 484.487 4.879 50 40 JJGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 3248560 ANXRXPIHLQPWFA-XMMPIXPASA-N 483.593 4.654 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6147246 QWOADXWPYPGRGW-KOEQRZSOSA-N 461.568 4.980 50 40 JJGB Cc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1ccccc1 8687942 JQXSNNNVMQBHEV-PTGBLXJZSA-N 450.546 4.576 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 9601629 HFRQQZDMZQZNGP-YBFXNURJSA-N 463.921 4.678 50 40 JJGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33658358 ODMUJBJYVKWDKP-WJDWOHSUSA-N 464.374 4.714 50 40 JJGB CC(=O)Oc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 34721166 QUDDHSPSEPUZTP-NTFVMDSBSA-N 471.513 4.955 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 34798962 VYCOIVIMKQHQOF-WGARJPEWSA-N 462.962 4.590 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21 46084841 NSYFTMYZOVRVPA-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 102872182 BMKPGGZSHZGDFE-XMMPIXPASA-N 473.554 4.734 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408607146 BYRXEDPSLAZRGI-LQKURTRISA-N 493.947 4.581 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408777437 ZDQVPTALDVVFRJ-SZXQPVLSSA-N 463.603 4.854 50 40 JJGB Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2c1 408838193 CQQXLLJLEFBUHJ-UHFFFAOYSA-N 453.907 4.783 50 40 JJGB O=C(N/N=C/c1ccccc1Br)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408868516 ABUHSVWWZNQYPQ-MTDXEUNCSA-N 491.433 4.531 50 40 JJGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)sc(C)c1C 409196985 YZPQTHMCOUQTGW-VCHYOVAHSA-N 453.589 4.844 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(I)cc1 409239536 HBOPBQSSOITTGT-QFEZKATASA-N 488.300 4.702 50 40 JJGB O=C(N/N=C/c1ccc2ccccc2c1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1092123 MOILNYIISKSSII-WYMPLXKRSA-N 478.306 4.519 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 2801855 OVXPXEOHMFYLTF-DHRITJCHSA-N 453.882 4.908 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 3116077 ILQBEENINKGSOF-VULFUBBASA-N 481.346 4.814 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccco3)nnc2-c2ccccc2)cc1 4464548 SXYBXJWRLLXSPP-MYNAFERESA-N 473.558 4.834 50 40 JJGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cc(Br)c(O)c(Br)c1 9265583 AODUZHSRXZOQEV-WSDLNYQXSA-N 481.188 4.671 50 40 JJGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12292733 FEWAUSMOUQUZRU-LJQANCHMSA-N 473.573 4.773 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)cc1 13893970 BWDFSAFFRFCXMV-GHXNOFRVSA-N 466.129 4.862 50 40 JJGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 30738483 DOIWVXPOGQNOFB-GQQGRWHKSA-N 460.328 4.614 50 40 JJGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 31783223 COVMRBXYDQVYER-GSHMASOHSA-N 450.608 4.592 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 59536128 IGOZSDRAWCAVKM-QGOAFFKASA-N 452.919 4.962 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)c(C#N)c1C 408547515 YUUAWLIVQBABKY-WOJGMQOQSA-N 488.521 4.870 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408566639 AUUNPSYVESZBSM-WSDLNYQXSA-N 481.437 4.856 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1C#N 408964306 CTHUXEYUNOZDEH-AMVVHIIESA-N 476.895 4.964 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 408999652 RVNUSKOCMGRCAS-NDZAJKAJSA-N 497.599 4.907 50 40 JJGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 409209010 DXLGBBPTUQRKOE-ZHZULCJRSA-N 473.916 4.990 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 409316806 QZUTWACWQBFDIQ-YUMHPJSZSA-N 491.500 4.520 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1 3082588 GJRBNWNDSXNFNP-BHGWPJFGSA-N 474.256 4.590 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(OCc3cccc(Br)c3)cc2)cc1OC 3166847 OCGCCLYIYWBREU-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\CCc3cc(OC)ccc32)cc1 15134748 BMPTZFRLWAUNCF-DDMLIRMKSA-N 483.568 4.722 50 40 JJGB COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1 34853220 FOYDRRBHGUFPIY-AQTBWJFISA-N 461.905 4.912 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c(C#N)c1C 408546706 NGKPYKCZOACEIN-LFIBNONCSA-N 474.498 4.523 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cc(C)cc(C)c2)cc1 408778356 FDBWVLILRGLDKD-CVKSISIWSA-N 469.994 4.611 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408880861 LBIAUHOENHOFTP-WOJGMQOQSA-N 454.398 4.503 50 40 JJGB COc1cc(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1C(C)C 409015941 PUJSPLPRNZZBGH-HQYUJTHISA-N 481.637 4.804 50 40 JJGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 409018425 HIPDLDMAAHHWBS-AQTBWJFISA-N 459.347 4.987 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409225952 UFAWJCBBIJPYAC-CVKSISIWSA-N 483.362 4.738 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1cccc(Br)c1 409311001 XTRSUJFSZWYMDH-MSOLQXFVSA-N 491.794 4.774 50 40 JJGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1434431 KRXHKNKGFBQWRR-FOKLQQMPSA-N 463.715 4.900 50 40 JJGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888732 AJTFVZDZUDSQMB-NLTRVXJZSA-N 471.557 4.877 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 3031983 MMGQEEBLAJFUIV-UXOQWUASSA-N 497.345 4.807 50 40 JJGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 3116498 ODUHITYQXZELKI-VULFUBBASA-N 466.335 4.539 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1OCc1c(F)cccc1Cl 3324780 BFQHMIARRJLEHT-CCVNUDIWSA-N 486.927 4.995 50 40 JJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)COc1cccc(C)c1)oc1ccccc12 8435506 XBSYNVMVYJVHDE-OGLMXYFKSA-N 459.502 4.803 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CCC3)cc1 9290383 MPCYPMLVUSBSBT-DEOSSOPVSA-N 451.530 4.699 50 40 JJGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCC1 9346482 ZTTSRUATRMLIFQ-SDNWHVSQSA-N 469.328 4.759 50 40 JJGB COc1ccccc1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 12467554 SHISPZIMNFEAHC-FBHDLOMBSA-N 465.025 4.735 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccncc1 13943414 QZHFNQCYTMGCNL-WGOQTCKBSA-N 462.966 4.615 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 20764351 TVLXNBOXNKIHJH-ZVHZXABRSA-N 487.341 4.861 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 28213904 JHCQRKXEKCWQCP-VULFUBBASA-N 483.977 4.609 50 40 JJGB CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)o2)C1=O 30760487 YAAKRAUMXBQDSN-HYARGMPZSA-N 476.488 4.724 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3Cl)n2-c2ccccc2)cc1 33089380 FGTXQUKLEWHZKD-YSMPRRRNSA-N 477.977 4.839 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 209656989 NKUFZUSLCZVODQ-QPEQYQDCSA-N 472.364 4.824 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408607091 BRRBQXMJHFFYAH-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1 408743688 UJDDKSGTVJFRPO-LQKURTRISA-N 455.514 4.806 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c1 408746658 VAMVFJWOVPFUBY-JAIQZWGSSA-N 472.497 4.947 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C1CC(C)(C)CC2=O 409132927 PJETYOPFGYZBFH-RUZDIDTESA-N 475.564 4.787 50 40 JJGB CCc1cccc2c(/C=N/NC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c[nH]c12 2636782 DXOBFIGSOKZMEU-JFLMPSFJSA-N 480.977 4.948 50 40 JJGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 9192109 DYUGQKMOYXYQGE-OBGWFSINSA-N 468.513 4.601 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20231940 QDHDUWLDTYPNHR-LQKURTRISA-N 497.592 4.515 50 40 JJGB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](CI)S1 36625073 FDLHCSHJDRGWCX-TZMCWYRMSA-N 454.358 4.574 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 408658095 UVFVMLZWOOSVHJ-JXFKEZNVSA-N 464.345 4.515 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409134694 PGLVYVRYSIHTSY-HSZRJFAPSA-N 474.948 4.529 50 40 JJGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888745 IRQGJOUBBMAHKZ-NLTRVXJZSA-N 471.557 4.877 50 40 JJGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OC)c(OC)c1 3663508 IATATIOYAHMYNB-VBYICHLGSA-N 471.351 4.927 50 40 JJGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)sc(C)c1C 13880455 YSDDMQQIQFVITJ-KKMKTNMSSA-N 466.538 4.724 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 28214548 XSRBBJQZZBBMSG-BJRSOBTISA-N 461.587 4.785 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38650282 WNTHFVUSAWURBG-QFIPXVFZSA-N 477.314 4.895 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 59921821 ITHOYRCAHACBGU-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB FC(F)(F)C[C@@H](I)C[C@H](I)CC(F)(F)F 169795248 ZAFBFXFCLPUOKV-WHFBIAKZSA-N 459.937 4.889 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1 408779464 XAKOVHJSKWDPGF-JAIQZWGSSA-N 483.362 4.886 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1 409009214 CARQGVYNPPMZBC-RHANQZHGSA-N 467.525 4.938 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 409321624 IOHNOCGNBJRNFH-NTFVMDSBSA-N 492.528 4.534 50 40 JJGB Cc1c(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)sc2ncnc(N)c12 409336077 RSVFDLRFMOQJGH-YPXUMCKCSA-N 451.939 4.578 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nc2ccccc2c1=O 2214853 YIYQLTLAPFUZFZ-VULFUBBASA-N 462.962 4.590 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCc1ccc(F)cc1Cl 9304736 GIFKBWKKJQYVNX-YSURURNPSA-N 495.001 4.859 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)cc1 9311081 IHPZTNZEKYWXMN-VULFUBBASA-N 498.377 4.562 50 40 JJGB C[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)N(c1ccccc1)c1ccccc1 9850383 RVDFULXYWNHQNV-SFHVURJKSA-N 494.389 4.991 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC(C)=O 35304618 SNALALZYHJYQMB-CAOOACKPSA-N 474.494 4.923 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59463278 TYDNTQHRWKJXPN-WKULSOCRSA-N 453.498 4.710 50 40 JJGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408566977 BZWKNXDIWGXDHQ-AFUMVMLFSA-N 459.612 4.742 50 40 JJGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)cc1 408780469 ZJNRWLDARYHUAP-WJDWOHSUSA-N 458.356 4.858 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C)c(C)c2)cc1 408785262 VKEWGTGAHVPEFC-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1c(C)ccc2ccccc12 408877533 VPLUMHACSORGCE-RQZCQDPDSA-N 498.320 4.733 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409091368 PUKWHFOXLBRAKC-FOWTUZBSSA-N 460.402 4.850 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 409245297 QNJXMKNWMCBOSX-JJBLJPBOSA-N 453.336 4.644 50 40 JJGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 12530124 QSFQMAAJXAYXFN-GFXGDVFHSA-N 476.126 4.675 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cccc(Cl)c2C)cc1 20207105 MTEQZMUHNBRFGD-ZMOGYAJESA-N 476.023 4.672 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)cc1 28214223 IKHNLVHTCYIWFF-VSWHYLHOSA-N 498.004 4.997 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OC 28217846 IPCPDCBTSVPIBJ-LJGKHRNASA-N 463.397 4.795 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)ccc1O 35189282 DKTGUWSNQRGHTF-NVJOKUIPSA-N 455.436 4.704 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1C(F)(F)F 58912989 IIKFGAAHXJODQG-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB CC1(C)[C@]2(C(=O)NCc3ccccc3)CC[C@]1(C(Br)Br)[C@H]2Br 100868605 UIKKPSSZEXZGHL-CSMYWGQOSA-N 494.065 4.989 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OC 408598443 AMLBAERXSHNHKE-YDZHTSKRSA-N 480.346 4.760 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1cc(OC)ccc1OC 408986592 QYORQNDHCFFCQH-UDWIEESQSA-N 461.518 4.742 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] 409374471 QMJPRZLTMUNAKZ-ATVHPVEESA-N 460.471 4.611 50 40 JJGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cccs1 695723 ABEPJSLOIHETKM-AFUMVMLFSA-N 462.604 4.533 50 40 JJGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](Br)[C@]2(O)C(C)=O)C1 8789864 GEVAMMLEIGNEOT-XIWCDJEOSA-N 455.433 4.654 50 40 JJGB biogenic COc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c(OC)c1 9693352 DJYVGVRFTPYZMQ-KRWDZBQOSA-N 455.967 4.885 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 16439312 IMSCCBHGMNBENX-KGENOOAVSA-N 476.554 4.934 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 19948081 OZOXHVYQQACMHZ-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(Cc1ccccc1F)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 22616696 MCGNLNZJJWJXRQ-UHFFFAOYSA-N 451.548 4.731 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 58913003 QYSYECNMXOTDPS-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC 408875331 JOSFWXQWUHSPGM-VCHYOVAHSA-N 456.926 4.544 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408906049 GWLIEQSFSCPDHO-LWKXQZBCSA-N 467.610 4.795 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1 408924948 PRPAJVYSSWZCPD-NBVRZTHBSA-N 482.945 4.970 50 40 JJGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 409155573 LTOXARYDADWXML-JFWKYIDNSA-N 475.376 4.563 50 40 JJGB C[C@H](C(=O)c1c[nH]c(C(=O)NNc2cccc(Cl)n2)c1)c1ncc(C(F)(F)F)cc1Cl 1400621 FUJPHLOFXONZCA-VIFPVBQESA-N 472.254 4.874 50 40 JJGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888751 OKAMDHVBRFLIOG-FYAMCCBRSA-N 471.557 4.877 50 40 JJGB Cc1ccccc1NCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 3116502 MGIYBCBRYVPVEF-VULFUBBASA-N 466.335 4.539 50 40 JJGB Cc1ccc(-c2cc(C(=O)NNC(=O)COc3cccc(C(F)(F)F)c3)c3ccccc3n2)o1 3441042 UXSDEMXRCFAXET-UHFFFAOYSA-N 469.419 4.662 50 40 JJGB CCNc1ccc(C(=O)N/N=C/c2cn(-c3cccs3)nc2-c2ccccc2)cc1[N+](=O)[O-] 9097003 LXGWNVMMNFPJLN-AFUMVMLFSA-N 460.519 4.705 50 40 JJGB C[C@H]1CC2(CCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(F)cc1c32 14162299 FWHIXZQSFLIYNI-PWFNWSNSSA-N 461.537 4.597 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739779 NJAZWWPWSIPJOG-QPQMVVSWSA-N 457.555 4.639 50 40 JJGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 20461294 VNMMOHDOYWSNTH-UHFFFAOYSA-N 473.904 4.600 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 28350690 BSJIBBQUPLSBSE-VULFUBBASA-N 464.978 4.989 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(OC)c3)n2-c2ccc(C)cc2)cc1 30743263 BEPQKJBGKOUYBC-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCC3=CCCCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332917 RCDJEKRGEWVOFY-UTGGRMKISA-N 491.625 4.525 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 409237931 YATHJVXIUMLGFC-HAHDFKILSA-N 471.513 4.838 50 40 JJGB C[C@@H](c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1 1068101 HSHHUPVIPDHLEG-QFIPXVFZSA-N 450.538 4.857 50 40 JJGB CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2cc(OC)ccc2Br)cc1 2080270 NSEJOVIUQLEUQQ-DTVDJLOLSA-N 463.372 4.944 50 40 JJGB O=C(COc1ccc(F)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 3174698 XZDJUUIVEFVIRV-DHRITJCHSA-N 457.299 4.696 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(CC)CC)cc2)C(C#N)=C(N)O3)cc1OC 9292532 HLFIMIFVTKEBJK-QFIPXVFZSA-N 459.550 4.548 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1 408757934 DVJSLVATFOPLBK-KPKJPENVSA-N 466.129 4.774 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408781826 FFTMUNIKMQGFNT-XAYXJRQQSA-N 493.629 4.746 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408791133 UOKCUTVEXARRHZ-GZTJUZNOSA-N 485.334 4.745 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408793218 DKZRYZQBHAHYGW-VIZOYTHASA-N 463.317 4.798 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408794340 IUYCLNJYWUCDQC-LICLKQGHSA-N 457.324 4.554 50 40 JJGB C=CCc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(OCC)c1O 409001764 KDVYLTPTLFRGTN-IEIKYZJLSA-N 471.557 4.531 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)cc(Br)c1O 1095731 YDYZAYLHIZVSIN-AUEPDCJTSA-N 477.156 4.633 50 40 JJGB Cc1n[nH]c2c1[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 2743732 HDFCEJRRDLQURU-IBGZPJMESA-N 471.742 4.931 50 40 JJGB O=C(CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 3142932 NDHPCRVMLBYKSR-YAGSLNJISA-N 482.540 4.565 50 40 JJGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 9631696 XKSSUXFLPZCDAC-YPXUMCKCSA-N 453.827 4.554 50 40 JJGB CC(C)Oc1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 26608280 MUZWKOUVEGYRQA-FTJBHMTQSA-N 493.567 4.536 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3/CCSc4ccc(F)cc43)cc2)cc1 34702295 ZXGHPXPQWXNUCP-VYIQYICTSA-N 497.617 4.585 50 40 JJGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(F)cc1 408608228 OUGXBPJSFXPPRP-HXUWFJFHSA-N 477.536 4.526 50 40 JJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408763465 FOBHTWQLLCVEFQ-ZROIWOOFSA-N 460.125 4.769 50 40 JJGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 408896465 NSTJQISMFUVWIR-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408960376 FIYUMKCIHUJXSN-WSDLNYQXSA-N 453.252 4.658 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)cc1C 409005198 DNXPPCFOZLYTHY-WGARJPEWSA-N 480.362 4.847 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 409006600 PWTYOOJREFSKJF-CVKSISIWSA-N 460.361 4.561 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)S(C)(=O)=O)cc1 409025473 VMWRQSGAJUTNJV-RWPZCVJISA-N 489.519 4.744 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409064948 JNIFVRJUWHVEAA-FOWTUZBSSA-N 456.882 4.792 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1NC(=O)c1ccccc1 409201890 OMJWVQHXLRYVLQ-UNOMPAQXSA-N 463.335 4.797 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1 409263732 BUCPBLCPTGZVKY-WGARJPEWSA-N 480.362 4.847 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)ccc1OC 409319506 HHOLBQMYJSUJLW-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409343269 DSJUFWCWJZSMMN-YSURURNPSA-N 476.714 4.623 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 1439556 ISYQQJUSAMUEAF-ZHZULCJRSA-N 470.481 4.555 50 40 JJGB Cn1c(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)nc2ccccc21 48374400 IPPOJRIWBZWKSH-STBIYBPSSA-N 474.524 4.865 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 59436915 LLZRVEBTLBZMMQ-ZTKZIYFRSA-N 499.592 4.611 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCc1ccc(Cl)c(Cl)c1 408608697 IGAOGXUYONAGBH-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Br 408751874 DGBYETNWSHGDNK-KPKJPENVSA-N 483.103 4.608 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408769093 NQKFXPQZFJPWED-ZVHZXABRSA-N 470.422 4.597 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 408899216 ODFSDKMWNGGINR-KPKJPENVSA-N 465.101 4.974 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(I)c2)cc1Cl 408984054 PNDZOSUJNZYYOZ-ZSOIEALJSA-N 477.689 4.701 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2c(Cl)cccc2Cl)cc1 409057512 GXGCUJVEAJYYNW-WYMPLXKRSA-N 496.441 4.705 50 40 JJGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 409101683 QKVSCCUASHIYOM-CFRMEGHHSA-N 472.339 4.577 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409114725 IGTQGMQULCLUNO-JVWAILMASA-N 484.021 4.552 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(F)cc2)o1 409156527 GELZMVGXVRGYIK-QESWDSMOSA-N 480.496 4.597 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409227539 PUQCGIAWVIFEFC-YBEGLDIGSA-N 478.184 4.876 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(F)cc1 409243425 WHYRQVHPTQQIDK-KBKYJPHKSA-N 488.972 4.716 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1 409253336 BLGYXTRRTWHXNM-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2211619 WOXMPICJZQQKMJ-NTCAYCPXSA-N 453.520 4.830 50 40 JJGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 8969911 OPHMPPRDDYTLAQ-MOPGFXCFSA-N 490.368 4.943 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(CSc3nc(-c4ccccc4)ccc3C#N)c2[C@H]1c1ccccc1F 16492909 MZRZXBNKYWCHEP-QFIPXVFZSA-N 480.528 4.993 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 20213376 WOSZSCSKQLPKJD-UHFFFAOYSA-N 481.968 4.833 50 40 JJGB CCCCOc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1OC 31776199 HPYTUPUAUSCOER-SGMWPGOQSA-N 463.372 4.863 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(C)cc1 59410740 IQEUSWFDZWEJCR-AJBULDERSA-N 480.564 4.969 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)Cc2ccccc2)cc1 83318850 JDVVLVUFLQOZIX-VEILYXNESA-N 477.630 4.634 50 40 JJGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)O 408548644 KILQEIMHYKMOPC-LSCVHKIXSA-N 485.277 4.981 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408895344 MJNOMYRYROXJRS-LFIBNONCSA-N 483.889 4.562 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408912435 QKCQWHWAJOQLSL-SIMFPYGHSA-N 482.584 4.806 50 40 JJGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2Br)cc1 409148635 ZAHNSVLNYGKNHA-FQEVSTJZSA-N 451.324 4.586 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=C(CC(C)C)CC(C)C)cc2)cc1 8685648 DRBAGKPKHGOLGH-UHFFFAOYSA-N 457.640 4.994 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 9259290 SHGNDZGXHQFJQG-SSDVNMTOSA-N 471.336 4.599 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)c1 33551959 VNYSIJSNCGLTQF-WSDLNYQXSA-N 458.337 4.916 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248408 VKYQYSIIULONLG-BHGWPJFGSA-N 474.742 4.972 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)N=C3CCCC(O)=C32)ccc1O 102566114 NODFNFRHEORPCU-HSZRJFAPSA-N 467.591 4.852 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(Cl)cc1 107792834 XBYGSSPPAANOOI-VULFUBBASA-N 451.910 4.650 50 40 JJGB COc1cc(C(=O)N/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)ccc1I 208202701 KVGZXOUNRQGIQZ-ARCFYCQJSA-N 491.373 4.786 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(C(=O)O)c1 408542687 NDGBOALCYFAEQW-UKTHLTGXSA-N 482.246 4.861 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(I)cc3)c2C)cc1 408588859 KEHTXUQBCICDNH-DHRITJCHSA-N 486.357 4.569 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408610513 NNUAOXTZZCHXNO-JVWAILMASA-N 463.921 4.573 50 40 JJGB Cc1cccc(COc2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)c1 408746137 BSSPIMXEYWJUAD-COEJQBHMSA-N 450.538 4.960 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1O 408763876 PNCIMUUKGJBINP-WMZJFQQLSA-N 489.096 4.858 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1 408816657 UHMXYVCIZFRQFD-XYGWBWBKSA-N 482.536 4.924 50 40 JJGB COc1ccc(OCC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 408863229 MFHDARAQKBLKJM-JVWAILMASA-N 451.910 4.520 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2C)cc1 408865377 CCBCZYBOFOIVPL-JVWAILMASA-N 463.603 4.574 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1Cl 408936258 HJGNILNVUAEGKT-KVSWJAHQSA-N 492.885 4.864 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 409009269 CQGMXTPWOCKKAD-AFUMVMLFSA-N 466.335 4.539 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409025048 KSAKWMJMEPJGFW-OVVQPSECSA-N 463.603 4.718 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409074226 PLCGZNSDZRSASN-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1Br 409351968 ZZGWCHLLQOHYGP-BHGWPJFGSA-N 454.324 4.658 50 40 JJGB COc1cc(/C(C)=N\NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)ccc1O 1468753 HRKNKUIPXCYDTN-PKAZHMFMSA-N 456.502 4.524 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 3031387 YYOXMXQUBPZFQP-HNFYEWAQSA-N 468.601 4.971 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)ccc1O 16995777 FHNIZYBHXXFNOY-JVWAILMASA-N 456.502 4.524 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240612 FQRGAWRFXOKINH-RDRPBHBLSA-N 455.558 4.634 50 40 JJGB COc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 35127441 AXZCBCGSZOKGDM-PDGQHHTCSA-N 461.905 4.912 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 59445098 JJUSOILYNFQYEN-LGJNPRDNSA-N 487.325 4.705 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccccc1Cl 408545039 XYHKMQRNHMHNDD-AWNIVKPZSA-N 484.746 4.725 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409071193 INWOZKINOZSRIT-FOWTUZBSSA-N 486.908 4.801 50 40 JJGB N#C/C(C(=O)NC1CCCCC1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 409113559 HDUARDSVQJFLAF-XDOYNYLZSA-N 464.363 4.722 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409262212 DHKKGNYMMZYPFU-BUVRLJJBSA-N 483.568 4.943 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409369749 FZJXYNGTQWCOAU-QGOAFFKASA-N 461.905 4.912 50 40 JJGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 830850 MFBQNKQBWBJANV-FOKLQQMPSA-N 472.295 4.763 50 40 JJGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 3089609 YQJKZZIBBXOLOB-ZOCVZFIWSA-N 465.145 4.611 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1 9203609 MAXXSAVEOBFFLZ-CVKSISIWSA-N 482.378 4.726 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1c(F)cccc1Cl)c1ccccc12 9210887 RZUONBBAXUUTOF-MHZLTWQESA-N 497.917 4.788 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(F)cc2)cc1 19956260 STNQGCZGQPGESI-OGLMXYFKSA-N 475.545 4.633 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1 20348496 AHOQMPNJGLDBIC-XMMPIXPASA-N 459.571 4.792 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 34690449 DYTJHPVVBHLJRT-OGLMXYFKSA-N 453.498 4.630 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 40530351 CSVQZAHIPDMREL-QHCPKHFHSA-N 462.889 4.795 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 59332886 SQZMEKYNSSOKQX-KQWNVCNZSA-N 471.532 4.669 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 59436911 RRZZRZDCFIJQQP-MTDXEUNCSA-N 493.629 4.943 50 40 JJGB C/C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C)nc2c1c(C)nn2C 103762723 PVGWUKAZPDUXAN-LMVIMDJMSA-N 472.431 4.815 50 40 JJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)c(Cl)c1 408739278 ATBNXGGDMVACBJ-AUEPDCJTSA-N 491.729 4.888 50 40 JJGB O=C(O)c1cccc(Cn2cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)c1 408904456 JSZNCRWHZITGQS-WKIKZPBSSA-N 482.452 4.806 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409234996 AJZQSHCBMDAUHI-JLPGSUDCSA-N 470.525 4.628 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 409255676 IFHPFGFJIPAYIN-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccc(C)cc2)cc1 1302420 OCJLBWWRPKOQGN-UHFFFAOYSA-N 495.535 4.826 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1cccs1 1782952 FQGJFZKEYRUQLC-HSZRJFAPSA-N 493.610 4.748 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 2308018 FEBPBWRFLISXBN-CVKSISIWSA-N 486.557 4.702 50 40 JJGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1OC 9693371 FWVVLWLURAGNMK-GOSISDBHSA-N 465.575 4.549 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)CC1 57315317 NEKADCYIVJDCKQ-TWKHWXDSSA-N 470.617 4.905 50 40 JJGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408904345 ICOZFLOYFLYKJY-GATIEOLUSA-N 480.864 4.864 50 40 JJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c1 409064541 PUXGFSCLYSCPFT-AFPJDJCSSA-N 463.671 4.530 50 40 JJGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 409195732 KMTYEOBWUPTVCV-AKCCUMBPSA-N 482.353 4.793 50 40 JJGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 409226191 PMKWAFHVWQNQNI-UHFFFAOYSA-N 491.853 4.695 50 40 JJGB N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)NCCCc1ccccc1 409250056 MEVPYZSXYOJPRA-DHDCSXOGSA-N 464.157 4.573 50 40 JJGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)ccc2OC)cc1 2078228 UKHZZQNFZCUMBH-LGJNPRDNSA-N 473.312 4.994 50 40 JJGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1 2312487 PBYPTLOJZNYISM-RUZDIDTESA-N 471.582 4.999 50 40 JJGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2359634 FOGQBTGQZCLNTI-YMGIJWJESA-N 455.539 4.760 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccccc1 14134920 OREAHBGQVFUMNO-MFKUBSTISA-N 453.336 4.730 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 16712518 SJPYIHKWTSVZPG-DICXZTSXSA-N 480.956 4.754 50 40 JJGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 17136201 SDKWKSRDTNUHCG-VUTHCHCSSA-N 469.566 4.777 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C#N)cc1 20760786 JZQWDJUXPWPGSN-VULFUBBASA-N 464.319 4.672 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1 35155768 BBWNLGNDLVWLKM-VULFUBBASA-N 499.361 4.818 50 40 JJGB CCC[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 100931263 MNHSTJZUKJYBPK-NSHDSACASA-N 477.389 4.586 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408544629 WAVCFWWTYLOQAI-PXNMLYILSA-N 484.350 4.957 50 40 JJGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 408609841 LSEIQNPVGZBKJY-CCVNUDIWSA-N 483.927 4.718 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 408718770 HJBCBLUYIMRLDG-FFYCUQLJSA-N 451.523 4.849 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1cccc(C)c1 408779268 SZXJRLCXBKTOHH-NVMNQCDNSA-N 490.341 4.619 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408818947 ZIESRGTWKYUSHQ-OJEAVSNDSA-N 461.345 4.783 50 40 JJGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408857728 WFISLCGHPYHQJO-KSEXSDGBSA-N 461.699 4.633 50 40 JJGB Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)n1 988964 JMLBJILHNAAQLL-GOSISDBHSA-N 482.491 4.823 50 40 JJGB CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccccc3)cc2)sc(C)c1C 1785496 COGWQGKPHZMEEG-VSWHYLHOSA-N 493.585 4.712 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3C)n2-c2ccc(C)cc2)cc1 9836742 HZKRSBPNVSSXBJ-YUMHPJSZSA-N 471.586 4.802 50 40 JJGB C=CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(OC)c1 12285090 WFVVQCXHIFBULA-CJLVFECKSA-N 458.514 4.698 50 40 JJGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 13045365 TWKUBKOQNMNEFU-JOCHJYFZSA-N 451.548 4.691 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 19926299 IMMONRXDDKGSLX-DHRITJCHSA-N 496.803 4.992 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC 20760998 ROQBXGGXPQURPU-WSDLNYQXSA-N 482.172 4.939 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(F)cc1 33957762 VOOKOPIMXIVNEV-JFLMPSFJSA-N 452.482 4.585 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 34828062 MFOWURAUNVUISF-JFLMPSFJSA-N 472.501 4.687 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1C 59401497 LSOFSXGDLDCMCH-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC(C)=O 89265729 LNUVPEQOHHRBKQ-VULFUBBASA-N 475.526 4.670 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408610546 OBTJNMBBSVPFKJ-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(O)(c1ccccc1)c1ccccc1 408747605 QEYYOXBNDFIWGQ-CEUNXORHSA-N 481.508 4.560 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)c2C)c(C)c1 408931384 KYEXAJHJIFXNBQ-HMAPJEAMSA-N 476.540 4.893 50 40 JJGB O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 409222317 CFJARXPLXHKPAP-JQYQIWQESA-N 494.847 4.539 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OC)c2)cc1OCC 409312349 KXXLKHXEZSUFDE-MYYYXRDXSA-N 491.382 4.974 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OC 409315100 HTHLOAVIBCLFDZ-WKIKZPBSSA-N 472.900 4.848 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1OCC 12276182 WNKCJUZDLQXZQV-FNZWTVRRSA-N 480.586 4.526 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20348547 KFMVXBDBEKSKQG-HSZRJFAPSA-N 486.037 4.947 50 40 JJGB CC1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 98046362 ARUNAWUFAFVWRC-KNXALSJPSA-N 486.086 4.931 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408763322 SALKWSYGEUHVJG-LGJNPRDNSA-N 472.328 4.783 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408816854 MIULQJGCZYPNAL-GDNBJRDFSA-N 478.392 4.989 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408824778 AIDACHBIBILHMD-MTDXEUNCSA-N 493.629 4.746 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1OC 409007758 ZKLREMOOMBNZQQ-JFLMPSFJSA-N 490.387 4.569 50 40 JJGB CC(C)CNC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409112922 GYQOWLOMKVGOEV-KBKYJPHKSA-N 482.433 4.528 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409230393 CUZJPBUVHKWDSM-AUWJEWJLSA-N 482.842 4.855 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2276355 XHPFCCDNUCRQMK-YMGIJWJESA-N 473.529 4.899 50 40 JJGB CCc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 3180933 NCPIYIVXMMQOST-OSLARZAXSA-N 472.976 4.875 50 40 JJGB CCOCCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccc(Cl)cc1 3292006 AQZHXDMAMLWSAF-UHFFFAOYSA-N 480.981 4.569 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2C)cc1 25814182 IZFBGOIVHPVZSF-HKOYGPOVSA-N 482.584 4.887 50 40 JJGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3O)c3ccccc32)cc1 46085123 KHSDDOKCVCEYPH-FVDSYPCUSA-N 457.530 4.642 50 40 JJGB COc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccc(OC)c(OC)c2)cc1 101673915 RAMYPUBFSIHMBK-IRXDYDNUSA-N 458.146 4.795 50 40 JJGB Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(Cc2ccc(OCCC(C)C)cc2)c2ccccc21 103041276 ULSBWOKHQPNTHQ-CCFHIKDMSA-N 485.584 4.866 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(Br)c2)c(C#N)c1C 408546727 ODHAHEDVUCMCMT-OVCLIPMQSA-N 487.375 4.985 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)c1 408746870 WZYCHUALFJCLJX-ZSOIEALJSA-N 460.715 4.949 50 40 JJGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408781539 UGINPKDCTVDZRY-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408850428 AAPXUTIGISQMMN-JJFYIABZSA-N 476.124 4.734 50 40 JJGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1 408895673 NUIJXWJGMMQXHE-NTEUORMPSA-N 478.140 4.852 50 40 JJGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NC[C@H]4CCCO4)o3)sc2c1 408987492 BFGPXUSAAGXLLL-IDKBZEPQSA-N 455.561 4.641 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(C)=O 409035532 JEYBSMNWWUJEGK-OGLMXYFKSA-N 453.498 4.990 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C1CC(C)(C)CC2=O 409126180 GZCCVEUAJVTBSZ-VWLOTQADSA-N 457.574 4.648 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@H]1c1ccccc1Cl 1250804 AQKHVSBPPCAXAN-HSZRJFAPSA-N 495.988 4.783 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 6137110 NVUFHZCAOUENQV-XMMPIXPASA-N 470.554 4.986 50 40 JJGB COc1cccc(OCc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccccc5)c43)ccc2OC)c1 8568137 GVTOHZUASYKJLS-DEOSSOPVSA-N 480.524 4.891 50 40 JJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4cc(Cl)ccc4OC)CSC3=C2C#N)cc1OC 9693268 CZQXPQVNKLDOCG-QGZVFWFLSA-N 485.993 4.975 50 40 JJGB C[C@H](/C=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Cc1ccc2c(c1)OCO2 9849615 LDOJPQAVPOLDLX-FNVGFWRISA-N 457.530 4.841 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 27563576 AHMYAUJKTWSVLI-OEMBIGBOSA-N 457.313 4.830 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58911892 RMXMKDGPKYNXMG-WEPAEKJRSA-N 457.361 4.728 50 40 JJGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2cccc(Br)c2)[C@@H]3CCC1 61996958 UKEZAPNEYDLMIN-MNVTYAKESA-N 465.395 4.556 50 40 JJGB biogenic O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408570154 SCBLBQDOORLSNA-QRVIBDJDSA-N 469.544 4.863 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC(=O)c2ccc(C)cc2)c1 408885798 AWUJMTYEOZTHHF-XDHOZWIPSA-N 487.468 4.685 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 408938219 LAEHAFHEJREJSX-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409074971 VXNLUGRDOJKBLC-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 409263857 CKLVYXUGCZLMSR-YSMPRRRNSA-N 496.361 4.629 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409264954 NAURTYFRIJHIPV-FUSDPXDGSA-N 465.912 4.561 50 40 JJGB C=CCn1c(-c2cc(Br)c(OC)cc2OC)cs/c1=N/NC(=O)Nc1ccccc1 1050040 BMUQSFXAQWLHRU-NJNXFGOHSA-N 489.395 4.820 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 6166491 KMMSPCBDFBQXKF-INHDTDDESA-N 488.613 4.846 50 40 JJGB O=C(N/N=C/CCc1ccccc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 8692474 ZHBQTUBHGCAOLL-MTDXEUNCSA-N 469.566 4.897 50 40 JJGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12292738 FEWAUSMOUQUZRU-IBGZPJMESA-N 473.573 4.773 50 40 JJGB C/C(CC(C)C)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 12401249 SJZICJWHFLWXFL-DJKKODMXSA-N 484.030 4.924 50 40 JJGB CC(/C=C/c1ccccc1)=N\NC(=O)CNc1ccc(Br)cc1Br 15134411 YRFBLUCXNWZYHM-CASIMXJUSA-N 451.162 4.829 50 40 JJGB CC1=C(C(=O)NCc2ccco2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 20347488 DZHOMNXUEHQACP-QHCPKHFHSA-N 459.527 4.501 50 40 JJGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(C)c1Cl 30937410 VONVAWFVDIPDGI-LGJNPRDNSA-N 481.892 4.613 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1 58913716 OEURHFQZBINODX-RDRPBHBLSA-N 466.541 4.762 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccc(C)cc2)cc1 58919122 FTYSHKNKHLASOI-NLRVBDNBSA-N 485.606 4.592 50 40 JJGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 59484558 GKBGVTQPGCTJBY-WOJGMQOQSA-N 490.341 4.702 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 107776386 LMBZBBHUFBHRJX-LFIBNONCSA-N 465.868 4.748 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408610547 OBYHIWGWJITAKK-VFLNYLIXSA-N 488.346 4.786 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1I 408745262 KWPRVRHIHFIHGG-WJDWOHSUSA-N 474.298 4.800 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408790695 QWQLJLGDGRDFIU-HYARGMPZSA-N 456.498 4.915 50 40 JJGB Cn1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c2ccccc21 408856028 IMSNDLLFNSSRJQ-PGGKNCGUSA-N 490.372 4.690 50 40 JJGB CCCCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 409199173 HIYJLNRLOOPCMA-RQZCQDPDSA-N 487.350 4.589 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 409318312 VMQANILPCDEKBI-MYYYXRDXSA-N 492.444 4.633 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2 409369458 OGUFKQXEQQEUQM-WYMPLXKRSA-N 453.292 4.521 50 40 JJGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778280 REBMZHPUSFUFEG-CJLVFECKSA-N 483.549 4.612 50 40 JJGB CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2670715 WVYCFOZFYJXKKA-NTCAYCPXSA-N 476.514 4.700 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1C 3116133 JAMMMCVZQMPZNI-VULFUBBASA-N 481.346 4.814 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccc(Cl)c1 9013114 FQRGJKOGAAAXGE-INIZCTEOSA-N 476.783 4.813 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(I)cc1 10118606 UWLTUABEXQBSNU-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 13526547 TVDOBZZYSYKFFL-OPMRTADDSA-N 488.632 4.882 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 13582528 DKWKJYIAKRCHSO-CEUNXORHSA-N 486.597 4.951 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 27519974 OWKXHLPTDPHJDW-OPEKNORGSA-N 456.285 4.738 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 32577031 PGYAEXTVUPOBKU-DICXZTSXSA-N 488.638 4.877 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 33766948 OXYKCTGYTWJEDN-DHDCSXOGSA-N 452.850 4.764 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 59333006 UYTPEPNAELPMEN-BWAHOGKJSA-N 467.569 4.838 50 40 JJGB CC/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(OC)c(OC)c1 59401584 YGYOTFVSTSWCBD-OQKWZONESA-N 451.386 4.630 50 40 JJGB Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 107724351 XLIRICLXTIYNTC-YSMPRRRNSA-N 471.473 4.507 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108149536 BSOYDPRHQSEOBT-ZRGSRPPYSA-N 485.993 4.915 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)c1 408543936 QXAZJBMBXPKFTE-MBTHVWNTSA-N 451.482 4.986 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] 408785985 DCAHGFXWOXTDOE-AUWJEWJLSA-N 460.284 4.699 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408869105 RBJGLKQQPKUQJA-BHGWPJFGSA-N 495.388 4.987 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408885990 CIOANCTZBSEDTE-ZMOGYAJESA-N 462.487 4.557 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409112519 DFAONFXRCBWICV-JVWAILMASA-N 484.021 4.552 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OC 409323356 NNBSROAHZRJWRB-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 409377507 HOLRGHNVHXBLQI-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)cc1 1784646 GDGXBMIPBVMALG-JQAMDZJQSA-N 471.369 4.891 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c1O 1950266 AVAIQDLVPDRESP-AUEPDCJTSA-N 481.188 4.516 50 40 JJGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc(OC)c1OC 2239706 ZBIKXSMJQLGRLH-KRWDZBQOSA-N 485.993 4.894 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)OC)C(O)=N2)cc1 8969716 LIXOVGJUYAIPQQ-SFTDATJTSA-N 483.977 4.852 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccs3)n2-c2ccc(OC)cc2)cc1 9019608 RWYXNJYWHRQHTL-XYGWBWBKSA-N 493.614 4.646 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(I)cc1 10118512 GYHWAINLYQRCNU-YDZHTSKRSA-N 498.349 4.969 50 40 JJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 16735977 VIGUFRRXVPOWRG-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1 30822649 CXVBGIJUYCIZFI-DMBOVMDOSA-N 484.188 4.960 50 40 JJGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc(Cl)cc1 30843656 LHOPWHARMZGATH-VYYCAZPPSA-N 466.921 4.714 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1 35108584 FGTAACYGCADOPU-DHRITJCHSA-N 476.514 4.768 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408753372 MGZFXNZMILZGKH-BRJLIKDPSA-N 450.838 4.586 50 40 JJGB C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N(c1ccccc1)S(C)(=O)=O 408906622 CKGVJRFCTKDEPY-FIKYGGOLSA-N 480.373 4.558 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969493 OOFBQXVBMTUYKV-OABMOIASSA-N 498.410 4.947 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(C)cc1 409184239 JLAQWFXOUYABMV-ZTKZIYFRSA-N 493.673 4.769 50 40 JJGB CC[C@@H](C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409190049 VHNWIMMKFDGAGP-VTGBELTLSA-N 486.737 4.894 50 40 JJGB O=C(O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21)C(Cl)Cl 3064350 RFTBOVZCGMTCHQ-QFEZKATASA-N 465.642 4.957 50 40 JJGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 3271463 VMFPGHQFYDZRBF-HYARGMPZSA-N 460.917 4.929 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1cc(Br)ccc1O 8773274 BLYASPCAMNBWCW-LJQANCHMSA-N 459.303 4.916 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 8812646 OISVUMLHVGYDNG-SSDVNMTOSA-N 458.268 4.698 50 40 JJGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 8830088 FBTGWBNHZGWBKD-NBVRZTHBSA-N 458.905 4.944 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OC(=O)c1ccccc1 12585781 FGDBIOCXHBYJCD-HMMYKYKNSA-N 470.481 4.637 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 20059593 PSTFIKPYLJUXCM-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)c(C(=O)OCC)c1C 33380297 GDLKQAJBHMKOEW-SFQUDFHCSA-N 478.570 4.929 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 33527496 ZGLYYHZVDZXZTB-OPEKNORGSA-N 486.435 4.687 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OC 83314660 DZUSXYVUOUGNQZ-QFEZKATASA-N 469.335 4.809 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nccs1)[C@H]2Br 169809725 MLAXNGBDVHHWPH-PAWXDDDFSA-N 487.055 4.767 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1 408610575 OHYRCCDHFVTDLR-LQKURTRISA-N 479.964 4.969 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408784484 CMMWKCNAFMGNTD-JJIBRWJFSA-N 450.004 4.690 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408856610 KWIFZAHCNBIZKI-ZHZULCJRSA-N 498.004 4.756 50 40 JJGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408862106 IGDSRDRYHYRVOX-LQKURTRISA-N 467.982 4.632 50 40 JJGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC 409031940 BRJJVAWYOZJPCC-OGLMXYFKSA-N 482.565 5.338 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)oc12 409095685 IDRJANABCZIKJM-DNTJNYDQSA-N 452.648 4.529 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409123855 ILJHPARAZOKNCH-QFIPXVFZSA-N 461.905 4.614 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1cccc(Br)c1 409311006 XTRSUJFSZWYMDH-ROUUACIJSA-N 491.794 4.774 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)c(Br)c1 409312733 MBXLDQZVRHKUGA-HNNXBMFYSA-N 474.355 4.607 50 40 JJGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 1250108 LIDOYWARVSDXAA-BTUGVJQXSA-N 456.546 4.529 50 40 JJGB COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1Br 1445305 QBVWZZBKPCUTPI-VULFUBBASA-N 497.345 4.514 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(C(=O)O)cc1 2775584 HXRGHAFUORWWBR-UKTHLTGXSA-N 482.246 4.861 50 40 JJGB C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 8398561 ODIOYELXYQDHHC-YQYKVWLJSA-N 469.585 4.982 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 9159357 LDHCARMTBURJIP-MHZLTWQESA-N 479.927 4.649 50 40 JJGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1O 9934820 KTKLTBOPUNMHAV-LSFURLLWSA-N 494.139 4.549 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 10058856 QGHOBJNNFGZEHB-NUSHWZLESA-N 458.150 4.847 50 40 JJGB Cc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Br 14408716 ALQFYKVLLMITCS-FBCYGCLPSA-N 490.977 4.752 50 40 JJGB CCOc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 20232121 WCBASPGZJCNGHI-UHFFFAOYSA-N 489.663 4.829 50 40 JJGB CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 31875841 NMPGGLDPKXNTLT-PKAZHMFMSA-N 487.585 4.584 50 40 JJGB Cn1cnnc1SCc1ccc(C(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 33415210 HMFBRAQEEDTNIL-VWOOYDPRSA-N 469.570 4.765 50 40 JJGB C[C@H](C(=O)C(C#N)=C1Nc2ccccc2N1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 96305648 QNYCFWCOQLUIQI-LJQANCHMSA-N 499.565 4.902 50 40 JJGB Cc1ccc([C@@H]2[C@@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 102671564 FUYVXXGYSZYRLE-DNVJHFABSA-N 485.923 4.652 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 105070708 VMYBHGTWAFWOAB-AFUMVMLFSA-N 453.882 4.529 50 40 JJGB CCNC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1 408820584 YVNQQSUWRNOPKV-OVCLIPMQSA-N 464.157 4.834 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(O)c1 409392512 PXUPINGWPKHSPL-DHRITJCHSA-N 485.334 4.515 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1384077 NAZZRNWSIXRQGM-OVVQPSECSA-N 498.004 4.683 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1 1888441 WCEMCIGAOMTJBB-UQNFDQQLSA-N 471.376 4.747 50 40 JJGB O=C(N/N=C/c1cc2ccccc2nc1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1 2068697 RTZRDKCTYPFQLP-IAXUOCBKSA-N 460.946 4.871 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nnc1-c1ccccc1 2313526 GNXIKYCMIKQMDF-JFLMPSFJSA-N 492.004 4.957 50 40 JJGB N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 2694725 GEMAAGOXTXQLQS-HXUWFJFHSA-N 462.556 4.690 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 4761496 UISBRRSHOFJLRB-VWLOTQADSA-N 487.581 4.779 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 6142262 PKRQFSAJZVKBTE-SDNWHVSQSA-N 478.555 4.908 50 40 JJGB O=C(CCc1ccccc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 9272570 WORGBNYOSNCCIF-NFFVHWSESA-N 452.341 4.993 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1F 13922768 XCNQWMWETHBIGC-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 58871175 NWEHEPXSWJPIOU-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 96476426 NUXBUCIAIZEIHQ-NVNXTCNLSA-N 459.727 4.977 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 408724941 CHHWHSZJGLOFAQ-UHFFFAOYSA-N 455.624 4.975 50 40 JJGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 408965868 JKUHDXBQQMNBLB-WKULSOCRSA-N 488.475 4.686 50 40 JJGB CSc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024847 IFLMKDJLYSKLKJ-UPMNJHNBSA-N 483.615 4.506 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl 409114638 KQQXSRFEGRXIAY-DHRITJCHSA-N 493.416 4.561 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OC 409301074 CVJHXTOSEFSGQZ-YUMHPJSZSA-N 462.502 4.525 50 40 JJGB Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)ccc1Br 409315911 XHCNUPHESJOVJO-MRXNPFEDSA-N 474.355 4.607 50 40 JJGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3I)cc2[C@H]1c1ccccc1 1226812 XHTREUHTIBVJCQ-QCQFVGOUSA-N 493.304 4.966 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OCC)c2)cc1 10476017 AXWOBAKAIOZRPZ-RDRPBHBLSA-N 457.530 4.627 50 40 JJGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc(C)cc1Br 12447014 IMCFNOYUNVERQZ-ZMOGYAJESA-N 466.763 4.619 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 32520001 YBTSTGKMNJJACG-AFUMVMLFSA-N 477.567 4.767 50 40 JJGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCC(=O)O)c(Br)c3)[nH]c2c1 33795348 DTTKBDLIDIWKKY-XGICHPGQSA-N 491.139 4.924 50 40 JJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 38198733 ZHGMMUFHDWNYKW-NTUHNPAUSA-N 472.364 4.824 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3ccncc3)CC[C@]1(C(Br)Br)[C@H]2Br 100868561 XDVXLFQAMFXYPI-VCTAVGKDSA-N 481.026 4.706 50 40 JJGB O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1cc2cc([N+](=O)[O-])ccc2s1 108333639 LZROZGUGHMAWSC-FBCYGCLPSA-N 454.689 4.695 50 40 JJGB O=C(Oc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 408922835 GRKRJHVZNSILKG-NDZAJKAJSA-N 484.939 4.945 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(I)cc2)cc1 409142240 WZWQEMULGFDTRV-NRFANRHFSA-N 498.320 4.685 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(OC)cc1Br 1437549 DTCXHXRVYDFDTL-ZMOGYAJESA-N 457.324 4.539 50 40 JJGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)CNc1ccccc1F 2645981 VVOPPTLXHUTCOX-YPXUMCKCSA-N 453.827 4.554 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc(F)c1 3628399 GVDGLXJLNCXKFW-VWLOTQADSA-N 460.461 4.750 50 40 JJGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(Cl)cc4Cl)c(=O)c23)C1 6166334 YQDRQYSOTGZIKS-LOJCPQQFSA-N 463.390 4.601 50 40 JJGB CC(C)(C)NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 8384952 VJSQZSFNIPMTTB-NFMODRRSSA-N 460.048 4.587 50 40 JJGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 12660278 DPPIUSPHYGJYMV-PWIYWSIBSA-N 475.614 4.884 50 40 JJGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(OCCC(C)C)cc2)c2ccccc21 46085056 ULSBWOKHQPNTHQ-PNOGMODKSA-N 485.584 4.866 50 40 JJGB O=C(CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NNC(=O)c1ccc(C(F)(F)F)cc1 199413270 UNVHVLOJTHURED-UHFFFAOYSA-N 499.489 4.507 50 40 JJGB O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 408839487 TUESNXSHNPQURM-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 408892590 CTAUGXUUYKPGHU-DHRITJCHSA-N 495.289 4.794 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 409238237 CXZPPEJEJUZIBG-WGARJPEWSA-N 471.326 4.869 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1 409239544 HFRJIFDQQBQGSZ-BWAHOGKJSA-N 455.558 4.927 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)cc1C 409258925 WNAMIWJRIPZYES-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 409352333 ZPONEWPUMKIIFE-OJLHXUGZSA-N 483.362 4.611 50 40 JJGB O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 3180712 AXCYTVQQAXISNZ-UHFFFAOYSA-N 472.268 4.653 50 40 JJGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC 8722643 KBZUNUDNYRSILV-XNTDXEJSSA-N 492.313 4.643 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I 9144510 ZKYRWKYFKFIXAW-MDWZMJQESA-N 452.679 4.889 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC3=C2C(=O)CCC3)ccc1O 13189522 OQBUNZDOVCKRIV-VWLOTQADSA-N 489.597 4.819 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 13943646 QFKZJCWGXIRUFU-OGLMXYFKSA-N 470.481 4.704 50 40 JJGB Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)c1 20558273 KAIQXIPROAFTHH-HSZRJFAPSA-N 455.539 4.522 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1OC 33380140 JXHDCYVZSSTGJI-PDGQHHTCSA-N 476.460 4.616 50 40 JJGB CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 59087070 UNEUXDRCMJZWFE-MHWRWJLKSA-N 499.434 4.557 50 40 JJGB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1 97994661 ZAXKGVCABQLROW-VKAVYKQESA-N 499.495 4.643 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542558 MEVPURQEDZTKLG-NDZAJKAJSA-N 485.584 4.973 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408613359 ZHXPXRINOHYIAW-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 408746422 SOUNNVCMFMATBC-ZSOIEALJSA-N 493.741 4.599 50 40 JJGB COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408777870 KTGFHPDDMOUXPZ-VFCFBJKWSA-N 493.629 4.728 50 40 JJGB O=C(Cc1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 408847710 UFCCBGXZAXADSL-TWKHWXDSSA-N 477.520 4.851 50 40 JJGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409016785 VSDNNBVGHCKZPW-MWLSYYOVSA-N 473.573 4.721 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 409073669 HRSXHAAXEWOOFW-GHRIWEEISA-N 468.918 4.662 50 40 JJGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-] 409156358 NZVOSCXQXBSYAV-WSSSDRMFSA-N 480.496 4.597 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Br)cc1 409198203 ZQPULIQNVUUSKS-YDZHTSKRSA-N 459.365 4.791 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1Oc1ccc([N+](=O)[O-])cn1 409203236 WTCXLTOYQZLZNJ-ATVHPVEESA-N 460.446 4.735 50 40 JJGB COC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)sc2c1CCCC2 409206746 WYQBSBZBRPKAAS-MMOHFDRGSA-N 474.586 4.579 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)ccc1OC 409317696 RUISOZQXDBUDPU-DICXZTSXSA-N 481.936 4.529 50 40 JJGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)cc1 1773211 DCLMDFKOGPGNPN-XMHGGMMESA-N 485.565 4.799 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2440626 UGYPFVBOOMLPFB-NBVRZTHBSA-N 454.461 4.788 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 9235180 WSRAQZOJWBJBKZ-LFYBBSHMSA-N 456.123 4.736 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N(C)C3CCCCC3)c2C)cc1 12652715 ALXWXXWUFQWCED-CJLVFECKSA-N 463.578 4.734 50 40 JJGB O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1 13856791 BURYDICNXWXLQG-XLIONFOSSA-N 486.952 4.726 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)c(C)c1 16701058 ONMGQHGURYTLFL-HEHNFIMWSA-N 458.562 4.696 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20233411 BQSJCNUKLKWZLX-WPWMEQJKSA-N 498.004 4.635 50 40 JJGB CCOC(=O)c1c(NC(=O)CBr)sc(Br)c1-c1ccc(C)cc1 35569146 QVOMEALGOVUXOL-UHFFFAOYSA-N 461.175 4.996 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccccc3I)oc12 408553051 WIBVDVMFRHUHGL-AWQFTUOYSA-N 499.102 4.572 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)(C)C)cc1 408718253 FYOTVXSDPBCCFE-ZMOGYAJESA-N 474.355 4.513 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 408750258 YTPGJXJZOAYIKC-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NCCc1c[nH]c2ccccc12 408939923 IXVPUJJFHIBXSC-JXAWBTAJSA-N 459.347 4.987 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 9356605 LDHCARMTBURJIP-HHHXNRCGSA-N 479.927 4.649 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Br 20195426 CIRYVHCNUHECED-SSDVNMTOSA-N 468.189 4.920 50 40 JJGB CCOC(=O)c1ccc(SSc2ccc(C(=O)OCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 59863406 MYSPIDICHQHTRO-UHFFFAOYSA-N 452.466 4.656 50 40 JJGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1Cl 408718838 ALSAPQJCFIESAS-VULFUBBASA-N 481.376 4.964 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OS(=O)(=O)c1ccc(C)cc1 408894676 KHWPAGCAWRSAIS-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408925578 SELPOHGODHCHPZ-WGOQTCKBSA-N 489.509 4.588 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cc(C)cc(CC)c3)c2C)c1 408968352 VUQUPURSZJWDSR-NTFVMDSBSA-N 461.562 4.671 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 409219431 MLWLUXXOKNCXQP-XMHGGMMESA-N 489.915 4.690 50 40 JJGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409222143 BPNGUBLCBQCTKQ-BOPFTXTBSA-N 476.876 4.811 50 40 JJGB C[C@H]1CCCN(c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])C1 13124242 MFSRCSDTQYRLEL-DAQNXSASSA-N 453.506 4.535 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1 20348491 MTRXQFSEPMWQFF-DEOSSOPVSA-N 459.571 4.792 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1cccc(Cl)c1 59472952 NIMLPKAXABYSES-OGCGYOKDSA-N 466.921 4.608 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3O)o2)cc1 105543558 NHOJXZVIJSLOJN-WGARJPEWSA-N 474.473 4.644 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408796706 YXAASNNIFOXFJD-PXLXIMEGSA-N 486.524 4.762 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408886237 FVAIWPNDLQMGQB-WOJGMQOQSA-N 472.413 4.576 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccccc1 408892063 AKVRTBWZWMEXML-OVVQPSECSA-N 474.538 4.770 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(F)c1 408968553 XDCSQGRCSPZLEC-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3nc(C)cc(O)n3)o2)cc1 409083422 ALLKCYADQSBYBA-MDWZMJQESA-N 471.336 4.851 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)OCO3 409095744 IQJNKCPJJJVHPF-QHCPKHFHSA-N 477.860 4.774 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 409143732 HMLXIONJORHHIV-QVGKIPNLSA-N 483.362 4.611 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 409261402 BQQHTMUCOFWINS-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2OC)c1 3116344 VGAOSXCZZKQMBX-RDRPBHBLSA-N 468.509 4.769 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)c1 9109002 LJLCUZSTSGQZID-XMMPIXPASA-N 499.592 4.985 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccncc3)n2-c2ccc(Cl)cc2)cc1 9836771 KYEJSSAASKATJB-JVWAILMASA-N 492.992 4.624 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Cl)c2C)cc1 20207052 INLDAICHLNZOIS-UHFFFAOYSA-N 462.015 4.979 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2O)c(C(=O)OCC)c1C 108063162 QUNJLQQHHXTSLJ-LDADJPATSA-N 498.601 4.681 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)c3ccccc32)c1 408540814 BWXUBBOZUSNLQJ-WKULSOCRSA-N 481.508 4.995 50 40 JJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)cc2O)c(Cl)c1 408740475 KXQANKXVSFIPRR-AUEPDCJTSA-N 462.731 4.685 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] 408765764 XTENPLWIEYXVJD-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccc(C)cc2)cc1 408766756 GBVFUSHJZIQASY-LHLOQNFPSA-N 481.643 4.761 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408933928 BCPZRUSTMNHBOI-VULFUBBASA-N 452.942 4.543 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(C(C)C)cc2)cc1 409183343 BBJPZAIBDYSRJQ-BUVRLJJBSA-N 455.605 4.526 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)ccc1OC 409322856 LIDLUFQIJDSEPV-NTFVMDSBSA-N 492.528 4.534 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccccc2)cc1 1306383 HCTMITLGMGXAPM-LQKURTRISA-N 466.570 4.966 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2360954 SEKMOWVKUFSEPW-WSPOYTSVSA-N 484.541 4.750 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 3089162 QEEYQBMBSUDPRC-JVWAILMASA-N 469.453 4.740 50 40 JJGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 9201847 XVILRHLLKMDWSB-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)c(OC)c1 9369966 SIJUZMNLLUPJEA-ZROIWOOFSA-N 454.845 4.624 50 40 JJGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 16157849 DOIWVXPOGQNOFB-FIWXJYLDSA-N 460.328 4.614 50 40 JJGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1 19956617 WOBHAYPHEKOQIL-MTDXEUNCSA-N 493.629 4.863 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 20764540 PQKYROQQEKWZFT-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2cccc3ccccc23)c1 33767675 MLMQINJPSCLDGD-IMRQLAEWSA-N 473.554 4.803 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 58913205 KKYWJIDAXYCQEI-VULFUBBASA-N 452.942 4.543 50 40 JJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 59417040 MAPUWMDXOJRXOI-DHRITJCHSA-N 464.934 4.678 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)Nc1cccc(Cl)c1 408751626 APQPANBCTPJHAO-OGLMXYFKSA-N 472.932 4.912 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OS(=O)(=O)c1ccc(C)cc1 408758384 JILQWWOAVLSFMT-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(C)cc1 408867864 MGQJEXFNUNTTCV-DHRITJCHSA-N 454.324 4.504 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC(=O)O 408986446 CIUAHIAKJWCJFM-WOJGMQOQSA-N 454.910 4.785 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc4c5c(cccc35)CC4)cc2)S(C)(=O)=O)cc1 409028913 TULBUAHCTLOUMS-UXHLAJHPSA-N 497.620 4.977 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1Cl 409325755 APXDWNXZLNSJTP-CYBMUJFWSA-N 462.358 4.713 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1C 3088944 GAUNIRJYVPBRLE-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 3644323 VDJQXRGBTAMPRP-RCCKNPSSSA-N 471.538 4.750 50 40 JJGB Cc1noc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4ccccc4s3)cc2)c1C 8744271 IHCYLVOUGHDMMS-NTCAYCPXSA-N 451.533 4.679 50 40 JJGB CC(C)(C)NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 17413572 VJSQZSFNIPMTTB-ULCPSODYSA-N 460.048 4.587 50 40 JJGB O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 46085203 HXCQKXGTQGCNFS-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)OC 59336530 NNZXEMMIFXUICP-YBEGLDIGSA-N 475.328 4.828 50 40 JJGB Cc1ccc([C@@H]2[C@@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 97949606 FUYVXXGYSZYRLE-XPWALMASSA-N 485.923 4.652 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1 408611187 QCQDIPXHAQQAQG-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408611905 XMQJAEMCCLBOIM-KRWDZBQOSA-N 453.901 4.554 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408612482 VPSDJQDWDMDNNZ-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408615600 RCVQBLLHADLJSW-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408793150 NORWDHZKMREOJG-LICLKQGHSA-N 457.324 4.554 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12 408906729 DKLPIYIZYLPDRD-TWKIEXGSSA-N 482.584 4.806 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)O)c1 408964612 CXTKGCJAQRHDFK-XODNFHPESA-N 472.419 4.755 50 40 JJGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 408969041 GENCNPCFXIXADI-TWKIEXGSSA-N 487.600 4.634 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OC 409316629 ZAQLSSPSGBVNOS-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB COc1cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O 409401263 RVZNHLPGZUBLAM-UHFFFAOYSA-N 459.502 4.744 50 40 JJGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 16268255 BVIAZSXSPGPWRR-ROTLSHHCSA-N 452.605 4.895 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1 27546710 YGVHVYJIEGZYQQ-OCSSWDANSA-N 493.519 4.742 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(Br)cc1 34689514 OWKUOQRJIKUIHG-VULFUBBASA-N 496.361 4.759 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3nccs3)CC[C@]1(C(Br)Br)[C@H]2Br 100012826 MLAXNGBDVHHWPH-KEMBBXRSSA-N 487.055 4.767 50 40 JJGB Cc1ccc(N/C(SCC(=O)N2CCOCC2)=C(\C#N)c2nc3ccccc3s2)cc1 105839499 OVLUEPSFKKSBFI-PYCFMQQDSA-N 450.589 4.501 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1 408610554 ODBOQALESAIILE-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408743578 GUJGLWCSPLXTHU-GHXNOFRVSA-N 466.129 4.774 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(F)cc1 408905678 CGYDSPGSYCHFOQ-ZMFRSBBQSA-N 463.421 4.832 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OS(=O)(=O)c1ccccc1 409074029 JPPLLABHYBYNSH-HMMYKYKNSA-N 492.528 4.876 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409141023 GTYXFBSYJZTKLO-OVVQPSECSA-N 479.602 4.514 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(Cl)cc1 409257190 OUDXZRIFCQUVRF-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB COc1ccc2ccccc2c1[C@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N 27329743 IZNJLNXVBGLSPH-LEAFIULHSA-N 471.564 4.774 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408604462 JNFPECVUJOUKST-JOCHJYFZSA-N 498.524 4.878 50 40 JJGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408607591 DSPSLTDMRGLYCO-JFLMPSFJSA-N 465.937 4.579 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 409076170 YZTHDGBWMCBHGG-SFQUDFHCSA-N 498.944 4.671 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2c1 409188154 BLZIVBWSPUSRRQ-MBTHVWNTSA-N 475.476 4.752 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)ccc1Cl 409361733 DVBDEFITZGKYLZ-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 974019 CVZQJYPMEFXKAP-CCVNUDIWSA-N 487.357 4.853 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1 2368299 KHPVRLFGSLNMDT-KNTRCKAVSA-N 466.497 4.740 50 40 JJGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21 2675509 MJMWEWIYPOEPFN-UHFFFAOYSA-N 461.132 4.932 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)cc1 8780757 QHKZRASBCUGZMH-DHRITJCHSA-N 488.817 4.957 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(Br)cc1 9288168 NDRGIOMDLXWJHI-AFUMVMLFSA-N 483.318 4.537 50 40 JJGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28213739 JQSQNKKILNAPKW-VULFUBBASA-N 467.978 4.741 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 107576239 PPHSKXNMTGYAAI-MZJWZYIUSA-N 459.575 4.628 50 40 JJGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1 408613017 YIFOYJOPEUNSKX-STBIYBPSSA-N 493.535 4.681 50 40 JJGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)cc1 408757126 XBDSEPXSGWHKAK-ZMOGYAJESA-N 487.341 4.731 50 40 JJGB O=C(CNC(=O)OCc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408808055 CYHWWJRNBWGBEY-IPPBACCNSA-N 474.948 4.720 50 40 JJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)c1 408846377 JACHWZZKAAGRGI-ZVHZXABRSA-N 455.356 4.814 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1O[C@@H](C)CC 409242030 PROHXZGRMXRYLH-ARCFYCQJSA-N 451.336 4.857 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 13425347 POHOPKOGEXDBCH-OYKKKHCWSA-N 476.536 4.893 50 40 JJGB CCOc1c(Br)cc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC 32703895 OBRGIUSHZDQUGY-DOQYOOLYSA-N 469.763 4.736 50 40 JJGB COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c1 102602528 OIHALDHBRDERFX-QFIPXVFZSA-N 465.531 4.938 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 408894673 KHAKTAZRXSWGTJ-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB COc1cc(OC)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408904811 OZXRIVDQZCTKEW-UKWGHVSLSA-N 471.149 4.693 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2=C1CCCC2=O 409135292 UGDXBSPMMITAKO-JOCHJYFZSA-N 464.363 4.758 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409265894 WSSGUYYBFQPUQJ-IPPDYPEDSA-N 461.949 4.731 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1OCC 409313237 PBBKCJJVJOHJFW-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 8722636 PTGANCHCSZEEEB-AQTBWJFISA-N 491.931 4.920 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 15018820 PTGANCHCSZEEEB-QGOAFFKASA-N 491.931 4.920 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC 33736787 POVBRHDDMXNYHC-DICXZTSXSA-N 481.936 4.529 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)o1 44950343 BBIKOSIEKNHFFM-DHRITJCHSA-N 451.479 4.824 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CN2CCOCC2)cc1 59401668 DTWMTCHNHNKQQA-OGLMXYFKSA-N 463.965 4.515 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2ccccc2)cc1 59427796 SMMPIKFYJNUQTD-UXHLAJHPSA-N 461.521 4.884 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccccc3)cc2Cl)cc1 408892673 DKEJHUHVXYJFDZ-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409024245 HYHZDHDCRPSUNL-LGUFXXKBSA-N 469.994 4.660 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccco1 409131912 ZCYPRNALPXFCFI-LLVKDONJSA-N 455.845 4.662 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OC(C)C 409238222 WIPLAORPUNSBFN-PACYTGELSA-N 490.341 4.871 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I 409242298 QJMAVZVDHRSMLN-RGEXLXHISA-N 472.326 4.512 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1 2319055 JDDBDUKILKURPF-FSJBWODESA-N 472.412 4.610 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1 12498006 UENMAAZVKYTARE-OBGWFSINSA-N 477.567 4.641 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccnc1 13596893 OGJBETUNDVAMFF-DIBXZPPDSA-N 456.575 4.579 50 40 JJGB CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2CC)sc2c1CCCCC2 20191672 HNJFFCSLYPGACQ-UHFFFAOYSA-N 465.666 4.757 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)cc2)cc1C 33349219 TXTZRPPXXALJNE-LGJNPRDNSA-N 496.361 4.553 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 58913285 RCOVBMMABDXUKH-CCVNUDIWSA-N 472.467 4.600 50 40 JJGB CC1(C)[C@@]2(C(=O)NCc3ccccc3)CC[C@]1(C(Br)Br)[C@H]2Br 98046360 UIKKPSSZEXZGHL-JLZZUVOBSA-N 494.065 4.989 50 40 JJGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408602297 BNDVYTXUFVOLRY-SFHVURJKSA-N 485.363 4.657 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)c1ccccc1 408775301 FZDFNFISKNYUNF-RGKQAONTSA-N 496.032 4.980 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1cccc(F)c1 408891239 NIIYOLVWBZGWOE-OGLMXYFKSA-N 457.461 4.608 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCC(=O)Nc2cccc(C)c2)c1 409049526 XKPCJTHIHZFKCE-KGENOOAVSA-N 455.514 4.875 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1C#N 409140382 ROPNINYJLYRYQE-HSZRJFAPSA-N 459.889 4.723 50 40 JJGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 409314507 KVHPZTRGKICQFC-IWIPYMOSSA-N 461.356 4.965 50 40 JJGB O=C(c1ccc(Br)cc1OC(F)(F)F)[C@H](Br)CBr 575362594 GDWDWDGVBNLJMU-SSDOTTSWSA-N 454.862 4.689 50 40 JJGB CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C)cc2Br)c(OCC)c1 845382 FKXKFLAZGQBKLC-BOPFTXTBSA-N 487.350 4.644 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1086818 NUKRXTHZDLGXSB-GZIVZEMBSA-N 497.136 4.673 50 40 JJGB Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1 1087039 QYSCLHOKGXXGHV-LSHDLFTRSA-N 476.172 4.529 50 40 JJGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2506239 DAOYDXJSPYZDJP-MZJWZYIUSA-N 466.921 4.714 50 40 JJGB COc1ccc(C(=O)CCC/C(=N/NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 8767188 SZXOJYRBFFRAQU-FVDSYPCUSA-N 460.530 4.900 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1C 13551044 JKRNKVKGYDGWPN-OQKWZONESA-N 458.562 4.696 50 40 JJGB CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19940209 DCYOBSSXIAHXMC-RLFYNMQTSA-N 458.914 4.936 50 40 JJGB COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC(C)=O)c(OC)c3)n2)cc1OC 31906008 MRXHYYPQZCJSOE-IUXPMGMMSA-N 466.515 4.834 50 40 JJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 59471506 FLDGKUBKDFXHGF-SSDVNMTOSA-N 455.337 4.828 50 40 JJGB NNC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226342354 ZCULUIQMVGYACG-UHFFFAOYSA-N 452.563 4.911 50 40 JJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc(Br)ccc2O)o1 408591176 RTMODGSBSLHWRM-WYMPLXKRSA-N 465.307 4.673 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 408764521 UINVEYPKVOMAHO-JXAWBTAJSA-N 452.919 4.962 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408765520 YDQGUQGETYCHDU-DHRITJCHSA-N 465.918 4.943 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(C)cc2C)cc1 408825687 BMDDRRSGTSWKKY-MZJWZYIUSA-N 487.984 4.750 50 40 JJGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(Cl)cc1Cl 408956092 ZZQLNRPFPFRJLU-YAXRCOADSA-N 487.906 4.717 50 40 JJGB O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 409196378 ZUOFWPJVIZTTCZ-ZMOGYAJESA-N 478.921 4.948 50 40 JJGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2)cc1 409221674 AADUIOJXQVJIFI-DICXZTSXSA-N 463.921 4.918 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)s1 1907252 FKOLLSAHRULFAY-SRZZPIQSSA-N 477.409 4.609 50 40 JJGB CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 9948663 KXBRTQGGYUUXCH-LSHDLFTRSA-N 484.188 4.744 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16214994 YPHYCOHVLHZZBS-GDNBJRDFSA-N 478.392 4.989 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OCC 59436957 YBAIVAOJGASLAM-MWAVMZGNSA-N 486.616 4.570 50 40 JJGB CC(C)(C)C(=O)NNC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 61876565 HVSSEBPYCTUVGU-HSZRJFAPSA-N 450.627 4.576 50 40 JJGB CC1=C(C#N)[C@@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)OCCCO[N+](=O)[O-])=C(C)N1 68606509 GFPLFKBKXQKPKX-AREMUKBSSA-N 484.512 4.802 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 409267071 SCJWCNDRZSSPEB-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c(OC)c1 1840734 XFWJNNNAMGAZRN-LSHDLFTRSA-N 495.051 4.743 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCc1ccccc1Cl 2359418 DNHORHASBCVNLW-FOKLQQMPSA-N 477.011 4.720 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(Cl)cccc1Cl 8779765 VQHWBFWYPQUFEP-HXUWFJFHSA-N 457.317 4.831 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 8812640 MSNPNTNJSDQOQN-LSHDLFTRSA-N 462.231 4.529 50 40 JJGB COc1ccc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)[nH]c2c1 9263523 PUZRBEOMCPJBFT-XDHOZWIPSA-N 468.513 4.970 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c(OC)c1 12467292 XFWJNNNAMGAZRN-YVNNLAQVSA-N 495.051 4.743 50 40 JJGB CCOC(=O)C(C#N)=C1/C(=C/c2ccc(C(=O)OC)cc2)CC/C1=C\c1ccc(C(=O)OC)cc1 15913864 QJGQZEVTVRLXHU-QAOSGDJLSA-N 471.509 4.904 50 40 JJGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)C1 16038167 JFBBJPXITIABBU-XMNRJSILSA-N 464.997 4.679 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2ccccc2C)cc1 20059069 QLDJGKIDLORTMO-RWPZCVJISA-N 489.519 4.668 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccncc1 30708097 XXCIHXMBEONSGK-ZMFRSBBQSA-N 483.384 4.879 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3cccc(OCc4ccc(Cl)cc4)c3)n[nH]2)cc1 32679262 CNOVRMSWVNIFLD-MBTHVWNTSA-N 488.931 4.860 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 59332864 VHMVZOKNLLRIKT-ITYLOYPMSA-N 492.579 4.792 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3ccccn3)CC[C@]1(C(Br)Br)[C@H]2Br 100012906 AYSYGAXXLZIKSF-VCTAVGKDSA-N 481.026 4.706 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OC 408766436 QOKNLZFIOPITLH-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(F)c1 408964734 DNVBNMVWVSDRRA-KKMKTNMSSA-N 470.273 4.942 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 409130436 HMCUAAJLOUVWDR-JVWAILMASA-N 484.021 4.552 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1Cl 409194015 KGMFPLUDVOFLBA-LJVLJBDNSA-N 477.948 4.954 50 40 JJGB O=C(CSc1ccccc1C(=O)NNC(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1 9349500 URIXDOHRPFSGNP-UHFFFAOYSA-N 480.398 4.861 50 40 JJGB COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 33718715 KFUDXQIBUWLDQE-QGOAFFKASA-N 461.905 4.912 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408570751 YBRZEDONWQRERN-ZMOGYAJESA-N 499.570 4.871 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2Cl)cc1 408878945 DGSRFULNHBQXPM-LDADJPATSA-N 476.872 4.812 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 408984020 HTUDKVDECSMSEA-WUXMJOGZSA-N 450.676 4.873 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409242566 ORBYHJBUQUUSFK-CLXYIWAZSA-N 488.325 4.649 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1Cl 409319812 MFVCALPWGKXHQE-KRWDZBQOSA-N 469.994 4.984 50 40 JJGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccn2)cc1 710710 RSSCKICJSSNCPU-VUTHCHCSSA-N 484.581 4.549 50 40 JJGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1CC(C)C 8934482 CQPKPKSXQQCXSC-KRWDZBQOSA-N 462.413 4.984 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 9272409 UOVYWHRWKPTOHM-PXLXIMEGSA-N 458.634 4.780 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccnc3)n2-c2ccc(Cl)cc2)cc1 9836766 NTVUQSFVBMZKDG-JVWAILMASA-N 492.992 4.624 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OCC 12276112 HTKMVBBZLRJWFW-IBVKSMDESA-N 464.587 4.826 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 38166428 JDRYCBLTATXHHY-WYMPLXKRSA-N 479.290 4.975 50 40 JJGB N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)NC[C@H]1CCCO1 44790528 VCXVDNPYPXWVPK-MUPHDSPYSA-N 453.464 4.911 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccccc1 58980150 DGIIWWLHWXATNA-OGLMXYFKSA-N 469.497 4.883 50 40 JJGB CCOc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(Br)cc1 59197494 OLHMCYPSCXTVKB-FOKLQQMPSA-N 495.171 4.553 50 40 JJGB COc1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)c([N+](=O)[O-])c1 100720892 HADANSXSOWEXJW-HYARGMPZSA-N 483.480 4.698 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C#N)c1C 408545970 AVUZDVZYCJGIIB-MHWRWJLKSA-N 475.482 4.992 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OC 408761544 GOOLEBWHTVMZEC-UFFVCSGVSA-N 480.409 4.709 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 408887789 QTYXVQCFYGXQBV-SFQUDFHCSA-N 497.916 4.870 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 409016754 IHBOFZNHKVRFLT-WKIKZPBSSA-N 477.908 4.733 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409048938 VCIQQRBSEWOWFU-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1 409137889 YMRDOFGCTIXWQU-QFIPXVFZSA-N 479.330 4.960 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nnc1-c1ccc(Cl)cc1 1824957 DLBPLSKQZBPSJF-AUEPDCJTSA-N 496.793 4.762 50 40 JJGB CC(C)Oc1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 2266625 MUZWKOUVEGYRQA-UIOOFZCWSA-N 493.567 4.536 50 40 JJGB O=C(CCCCCCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 9354893 FAGOEAWFQRZOHY-MKYUKRCKSA-N 466.582 4.599 50 40 JJGB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32 22564440 RLIDMCYUAMGURR-HJWYETAXSA-N 457.574 4.848 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)c(OC)c1 33770852 YREIQPMRESURPB-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 408711790 KOLABSFHVWUZGE-NTFVMDSBSA-N 492.373 4.991 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1O 408797849 SVAGDKYSIFOLBA-AWNIVKPZSA-N 482.705 4.903 50 40 JJGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1 408991628 QTGMOZJEYXJYJW-AUWJEWJLSA-N 463.715 4.508 50 40 JJGB COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1 409013936 OSERTOZWDLKEGC-OCSSWDANSA-N 497.551 4.703 50 40 JJGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 409054872 GZWNSEIKKIMIKV-NTEUORMPSA-N 490.151 4.778 50 40 JJGB COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 831210 AQBSTUNZNYTDIM-AFUMVMLFSA-N 465.531 4.566 50 40 JJGB C[C@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]21 6177335 CJIRCQLSUKSMNK-BRGFLNLRSA-N 463.899 4.887 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3C)cc2)cc1 28213568 FEJXIRSMNBMDBR-JFLMPSFJSA-N 461.587 4.704 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 33713933 POSITGAWJPPJIQ-XMHGGMMESA-N 489.503 4.796 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58914110 UHYSXNGLHRXPAA-MBTHVWNTSA-N 471.388 4.600 50 40 JJGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102542469 CVDZHTPRONRJPT-JOCHJYFZSA-N 462.531 4.879 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408862296 IMSXOIGVDVADPF-NCELDCMTSA-N 469.632 4.916 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 408864054 RXGGJGILCNZEAN-ZXVVBBHZSA-N 479.602 4.520 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 409043980 AILIKGAEKRQYDY-MDWZMJQESA-N 478.115 4.908 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1cccc(F)c1 409368901 RURMRFOAQQOYGR-RQZCQDPDSA-N 459.315 4.705 50 40 JJGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 2305611 CMWYXIFBHGSYDZ-XNTDXEJSSA-N 452.308 4.513 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)cc1 2418767 OMFCESWLSSACLR-BMRADRMJSA-N 470.460 4.570 50 40 JJGB COc1ccc2c(c1OC)[C@@H](C(Cl)(Cl)Cl)N1CCc3cc4c(cc3C1=C2C=O)OCO4 5518486 SKLGUSDGDGKUHE-NRFANRHFSA-N 482.747 4.783 50 40 JJGB COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c1 17025684 ZPOLBBYOKPBBBX-LGMDPLHJSA-N 493.570 4.893 50 40 JJGB CN(/N=C/c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)C(Cl)(Cl)Cl 91695292 IJGBXYDGOFBPQF-KIBLKLHPSA-N 467.706 4.996 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C\c2cccc(C)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108172722 KKDIWGPLUPQBTG-NTFVMDSBSA-N 477.630 4.570 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(C(F)(F)F)cc1 108276889 XKCJDXUXDDAXKH-BOPFTXTBSA-N 495.295 4.770 50 40 JJGB O=C(NNc1cc(Br)ccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408608094 OLXVRYXFDKSIRC-KRWDZBQOSA-N 498.352 4.663 50 40 JJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Br 408795896 MXORKWIMDPFWDM-SFQUDFHCSA-N 455.308 4.736 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Br)cc1 409123027 DIGJYMVREGFOCQ-QHCPKHFHSA-N 479.330 4.960 50 40 JJGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 409325522 ZNYGHEYXJAQVHV-QGZVFWFLSA-N 488.432 4.882 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccc(Cl)cc2)cc1 2321833 IHMBGLHUFFRQPQ-VULFUBBASA-N 493.976 4.544 50 40 JJGB CCSc1nc(NNC(=O)c2ccc(OC)cc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2424751 APCCYMAFSITYEZ-JOCHJYFZSA-N 458.609 4.810 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 8843162 PMYJORXJTKETID-VEWOPZLGSA-N 489.597 4.632 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nnc2-c2ccc(C)cc2)cc1 9111141 KYZYJTZZYIZGGQ-OVVQPSECSA-N 487.585 4.589 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 19948523 OVUONZLZJLHBRI-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 33959804 UHLCAAFTQYSQBF-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 57315314 QWCKOBRMHYCVRQ-QUPMIFSKSA-N 456.590 4.562 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1C 58912790 KRMQIALHNAVYHD-XODNFHPESA-N 456.468 4.819 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 408612711 XGZOYPCKYLKWKU-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)Nc1ccc(Br)cc1 408847427 VMHIOTLICJKSNK-GRSHGNNSSA-N 456.138 4.560 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408876809 OAAHYQKULRABIQ-TURZUDJPSA-N 493.629 4.944 50 40 JJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1 408962247 RHJJRLVMTVRRDP-LGJNPRDNSA-N 474.473 4.607 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1 408968363 WAJDFFMMTBFLSM-FDVSRXAVSA-N 471.479 4.982 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1 408990182 NDNVBWKHBHHYPY-NVNXTCNLSA-N 477.742 4.899 50 40 JJGB N#C/C(=C/Nc1ccc(S(=O)(=O)/N=C(/N)O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2204628 LFJNXQIMWUTLBA-LUAWRHEFSA-N 494.385 4.655 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccc(Br)cc3)nc12 2400713 UXLXYAFIMNWHNH-DTQAZKPQSA-N 493.361 4.524 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@H]1c1cccs1 20028788 BBAJAQDGJBUQRA-QFIPXVFZSA-N 466.584 4.798 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(Cl)cc2C)cc1 20060033 VDJYWFOYGXHYDL-VULFUBBASA-N 490.412 4.956 50 40 JJGB CSc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33859932 POUFVOWDRIRPRK-QQXSKIMKSA-N 487.691 4.807 50 40 JJGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408542286 KIXJYNGOXRLFFZ-UNOMPAQXSA-N 466.453 4.842 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)O 408796720 YYJXMOFTGTWUFP-NTUHNPAUSA-N 479.714 4.510 50 40 JJGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 408997232 MDIKKLUUYVNXBE-JLHYYAGUSA-N 454.313 4.720 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409188121 AVPKLWSNBSMWSX-WQRHYEAKSA-N 467.953 4.640 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Br)cc1 409247559 DHMGNMKWYMWQTJ-BRJLIKDPSA-N 499.434 4.986 50 40 JJGB COc1cc(C(=O)N/N=C\c2cc(Br)ccc2O)ccc1OCc1ccccc1 409321965 IHJOFINXSOIOFX-CFRMEGHHSA-N 455.308 4.506 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nnc2-c2ccccc2)cc1 1474422 JINUGXWKXULKAD-KOEQRZSOSA-N 461.547 4.559 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1783742 FXJVROPFCDIJHF-KXVDBBMMSA-N 474.586 4.600 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2424207 GDASGNYLVMKKBO-JQIJEIRASA-N 472.888 4.694 50 40 JJGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)c2)cc1 4521984 TZYCNRPREVVXKU-YZSQISJMSA-N 465.575 4.557 50 40 JJGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2SCc2ccccc2F)cc1 9883374 OUEZHDQEXUIZGY-KRWDZBQOSA-N 468.550 4.745 50 40 JJGB Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N(c3ccccc3)c3ccccc3)c2c1 13898787 QLGAKIBQTBWQGW-UHFFFAOYSA-N 482.584 4.928 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1 30822648 CXVBGIJUYCIZFI-SKKJWADRSA-N 484.188 4.960 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 59401524 YCJHETXISVLIDJ-MWAVMZGNSA-N 470.617 4.557 50 40 JJGB CCOc1ccccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650253 MAMCQRIXNMSHOH-OXJNMPFZSA-N 464.345 4.515 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408814068 PUGKWAGWAPJJKG-WQRHYEAKSA-N 471.351 4.645 50 40 JJGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 408995558 AYKGLCXUMPNKNH-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)C2=C1CCCC2=O 409139038 LPFQRWTXPYFWTR-JOCHJYFZSA-N 482.353 4.897 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc(C(=O)O)c1 409252293 XDROQSYQZFKSIO-IWIPYMOSSA-N 470.525 4.628 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1O 681259 VTYTVKPRBWVCOA-ZVBGSRNCSA-N 482.128 4.826 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1COc1ccc(F)cc1F 695705 ZAEZHRAUXWBYOX-VFLNYLIXSA-N 494.498 4.771 50 40 JJGB COc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc3n2)cc1OC 1727227 MQZAGTSPUVMGBW-JFLMPSFJSA-N 470.485 4.900 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1 1786091 XHKRCEKIDNDZLS-HAVVHWLPSA-N 452.510 4.642 50 40 JJGB C=CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2sc3c(c2c1=O)CCCCC3 3350609 OPSREKYUZUNABK-UHFFFAOYSA-N 489.626 4.847 50 40 JJGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c1 9261967 VIZYYIAFABGKTF-MFKUBSTISA-N 499.352 4.700 50 40 JJGB O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20366688 WCVCNZYFLDUWOI-KNBZMSCYSA-N 494.880 4.650 50 40 JJGB C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(CCC)cc2)c(OC)c1 27563913 YAXZHNPUIPNDIH-XLNRJJMWSA-N 462.546 4.621 50 40 JJGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 59515256 LBELKCUAZQSBMF-LSHDLFTRSA-N 497.187 4.666 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1F 100214917 NKBQXSOUNOOVKW-QHCPKHFHSA-N 482.467 4.554 50 40 JJGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccccc5Cl)cc4)[C@@H]13)[C@H]2Br 102649251 NXFJZRPIIMTORI-VTAJJLHNSA-N 462.727 4.642 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)CSc3ccc(OC)cc3)c3ccccc32)c1 408542677 MYVBJNYUXXIYQU-MBTHVWNTSA-N 487.581 4.727 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408764682 SHLYNUJQSLIHEA-NTUHNPAUSA-N 482.705 4.898 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(F)c1 408894592 ITFCFNLMAURDGZ-LICLKQGHSA-N 461.405 4.507 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)c1 409258403 WWTHPTLCKNKYCZ-MUXKCCDJSA-N 495.963 4.755 50 40 JJGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 935188 SQQCYHCTBYGNLX-PNWWAVQQSA-N 466.777 4.819 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 10475808 ZKQOUZLAYKHXOD-YDZHTSKRSA-N 472.295 4.709 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2OC)cc1OC 13096173 NEMJSBGQVPHWRB-FGEQZSIOSA-N 478.545 4.533 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2C)cc1 14472923 YONSVBGLXYCKDS-XDHOZWIPSA-N 461.518 4.674 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(OC)c1 33385376 UDODJAHPBYSRCC-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccc(F)c3)cc2)c(Br)c1 33924030 FZUGTSHQERQCHC-WKIKZPBSSA-N 499.336 4.953 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 59921651 XNOJSTHQKWKUGM-JFLMPSFJSA-N 468.937 4.855 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1OC 107764134 KPBDNHCSTAYGOD-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 408711595 AVSIMAAOPBPAQK-PKAZHMFMSA-N 477.517 4.664 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408858147 MTZKUEPPIUBDJT-WGOQTCKBSA-N 481.643 4.679 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2342051 CGJYXLIMDXYXDK-YMGIJWJESA-N 457.530 4.568 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1 2344209 VZDZZGIHJYFLEN-YZSQISJMSA-N 457.559 5.000 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1cccs1 8443110 PJSKMEACMGQXGY-OAQYLSRUSA-N 492.626 4.701 50 40 JJGB O=C(CCCSCCCC(=O)N/N=C/C=C/c1ccccc1)N/N=C\C=C/c1ccccc1 8614748 LIPSAVBKPCSNKY-KXKYHOJFSA-N 462.619 4.911 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)c1 8811222 HMNYQDFRZZMXLJ-MUFRIFMGSA-N 452.514 4.651 50 40 JJGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 8969913 OPHMPPRDDYTLAQ-OALUTQOASA-N 490.368 4.943 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)cc1 9289454 MKIZJYAMSOBRGL-ZVHZXABRSA-N 455.308 4.579 50 40 JJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 9291548 QIMGVGZMGCNAQA-QFIPXVFZSA-N 465.469 4.782 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(I)cc1 10118599 LRMGQUJSOVKVQX-RGVLZGJSSA-N 487.135 4.606 50 40 JJGB N#CC1=C(n2cccc2)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12377299 ADNADPBHAWZJLG-MHZLTWQESA-N 477.480 4.506 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2cccc(C)c2)cc1 16309391 NZJGVIVQCNUAHH-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 19953262 ZHVXQAYKYLGKNP-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 20060179 ZSXMBLUODICOBR-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCCOc3ccccc3)c3ccccc32)cc1 46085150 LJVQEJQBZLSEKA-QVTSOHHYSA-N 485.584 4.699 50 40 JJGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087136 IKYXOXBBIXELBL-MKRMIXIUSA-N 494.389 4.685 50 40 JJGB CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 195485771 VAIZBQSGURYFDL-QZTJIDSGSA-N 453.619 4.778 50 40 JJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408567448 DZCHSAPNMJFRJJ-WGOQTCKBSA-N 462.596 4.860 50 40 JJGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 408606755 ATHAQZNMZWGXMJ-MUFRIFMGSA-N 463.965 4.809 50 40 JJGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1ccccc1Br 408872683 OFLPJBBBYCUEFP-VGOFMYFVSA-N 464.157 4.593 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409010490 FDLSBMIOCLPNBL-JFLMPSFJSA-N 465.937 4.829 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3cccc(C(=O)O)c3)cc2c1 409187257 OCNMTIPSQFRIMA-DICXZTSXSA-N 458.470 4.873 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409220745 FFWXPJKHAFDBNJ-QFVADWCQSA-N 469.541 4.806 50 40 JJGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc([N+](=O)[O-])cc1 409262449 DSVHVYVMHGUKRZ-OEAKJJBVSA-N 475.592 4.609 50 40 JJGB COc1cc(C)c(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1C(C)C 409335259 KPSFIQHYTZMCGO-YJGSSNSBSA-N 483.609 4.687 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)c1 409391581 JXHSSDGNTGXZLX-OCSSWDANSA-N 468.557 4.986 50 40 JJGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cn(Cc2ccccc2)c2ccccc12 2294334 VDNKOWQCOHXBJW-LGJNPRDNSA-N 462.893 4.780 50 40 JJGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C/c1c(O)ccc2ccccc12 3085155 ROSXYFPDJJRHBH-ZVHZXABRSA-N 454.324 4.567 50 40 JJGB CCOc1ccccc1/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 3222571 JHNRIGVSKHEZFH-OGLMXYFKSA-N 485.565 4.711 50 40 JJGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3ccccc3n2)cc1OC 3294494 FWWIOPPXZWUSDN-STBIYBPSSA-N 477.524 4.869 50 40 JJGB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 9185524 JGTYMYKMMSDRDU-XMHGGMMESA-N 477.929 4.787 50 40 JJGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(I)cc3)c2)cc1 10118502 XDABOECIARVBFL-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccccc1F 33725347 CBHVHJCQUZALHM-YHYXMXQVSA-N 491.041 4.805 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 34387971 RJECNZXRFGPNKI-YSMPRRRNSA-N 452.894 4.730 50 40 JJGB COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)c1 38680167 HENCIVIQBQEMKD-OAQYLSRUSA-N 450.853 4.925 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N(CC)CC)c(C#N)c1C 408546657 LNLXTLZEUYCNIN-YVLHZVERSA-N 480.546 4.578 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408580607 DBQZWIPVSYKSGS-OVCLIPMQSA-N 465.287 4.780 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408675845 BRFHBJLNPARXSJ-MTDXEUNCSA-N 488.544 4.937 50 40 JJGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br 408762025 BWMRNNNLUQQHRP-VGOFMYFVSA-N 478.140 4.991 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408794236 INBRSLKNKJDBGB-OVCLIPMQSA-N 463.317 4.880 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409073976 OPTHQDDPNMVESQ-MFKUBSTISA-N 482.536 4.924 50 40 JJGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)NCCCc1ccccc1 409233030 CYARGHCQRPPUSJ-NKFKGCMQSA-N 462.553 4.936 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OCC 409311996 IOVXPAKKFZORIV-VEILYXNESA-N 475.545 4.656 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2216633 XIAIROJPQBTZAC-UYPHOHSBSA-N 497.201 4.667 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 3214659 KEJXCQMYQFZRQY-SANMLTNESA-N 461.523 4.986 50 40 JJGB CC1(C)[C@@]2(C(=O)Nc3ccncc3)CC[C@]1(C(Br)Br)[C@H]2Br 8384981 XDVXLFQAMFXYPI-KMUNFCNLSA-N 481.026 4.706 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 9203065 AWXPHDKEQLVLTA-SSDVNMTOSA-N 462.687 4.964 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 10058857 DHYKSQNMNCPORD-AXNZHVIBSA-N 475.501 4.857 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OC 12275989 DYAFUJJYYCPSJP-HOYKHHGWSA-N 470.978 4.781 50 40 JJGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 22708392 ANWMNFKCGFKFDB-VEILYXNESA-N 472.570 4.736 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1 33773357 QPBLYNCIPRSDTL-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB O=C(N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21)c1ccccc1Cl 46084862 AHTXZWSQPCNOGH-QLYXXIJNSA-N 454.313 4.553 50 40 JJGB OCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100488382 QLAYMWYSWDGABV-SCSAIBSYSA-N 468.044 4.666 50 40 JJGB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1 100861353 PFLXQLGPKPSRJT-NJNXFGOHSA-N 466.607 4.757 50 40 JJGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408569839 QMWXFOQIJHJPFW-HUSFYUSLSA-N 460.621 4.880 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I 408743743 UULWAJYEJRQHRK-GHXNOFRVSA-N 483.103 4.608 50 40 JJGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)Cc2ccccc2)cc1 408841512 HKXNMQLQZURMMH-NJZRLIGZSA-N 491.547 4.780 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 409219964 SBEPODXKKVEOIV-UHFFFAOYSA-N 467.481 4.823 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Br)cc1 409229394 OLNZVYZXWZDQOC-VYYCAZPPSA-N 498.352 4.607 50 40 JJGB O=C(COc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1 409268325 ZALPZGNCFKOYDY-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1Br 33382092 BMRMGTQPLXJDRU-SSDVNMTOSA-N 498.171 4.558 50 40 JJGB COCCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1 40486422 KVEAGOCWJTXSOZ-QHCPKHFHSA-N 450.560 4.514 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1 59101435 IFWFJMNIBLFMII-LQKURTRISA-N 479.964 4.969 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1O 100890482 UCSFYAFKXCLZLB-ITYLOYPMSA-N 457.559 4.581 50 40 JJGB Cc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2n1C 199417923 CKNRVFLIDINURO-UHFFFAOYSA-N 470.504 4.903 50 40 JJGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408605001 KFSGYZKVOIJLGL-FQEVSTJZSA-N 479.518 4.583 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408888454 ZYIQMDZCWBZVGH-WOJGMQOQSA-N 477.448 4.876 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1ccc(C(=O)O)cc1 409188740 FZYPMDCAEJPCNH-LQKURTRISA-N 454.482 4.890 50 40 JJGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NC1CCCC1 409189874 JQWDGEBZBOQUHP-WQRHYEAKSA-N 469.335 4.692 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 409234908 AJTOCXGUZMJIAP-ZMFRSBBQSA-N 459.290 4.999 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 409238194 CQPNOPHBQDUZNE-WGARJPEWSA-N 471.326 4.869 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)c(Br)c1O 409243450 YRMHSOGNDSNITA-KSSSLANASA-N 480.156 4.710 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409316095 LIYANISCYKJFPD-CQSZACIVSA-N 462.358 4.713 50 40 JJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)sc2ncnc(N)c12 409336667 USNPAAZFDXEAIJ-YPXUMCKCSA-N 451.939 4.578 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 2056159 ONJIJHQTNDLEFL-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247165 NCCMLMQGTVEWLF-PODSUIKTSA-N 494.414 4.987 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408783762 QSLQODHAICKGHM-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccccc1C(=O)O 408882178 NUPPJMAEBMHGIK-GZTJUZNOSA-N 454.398 4.503 50 40 JJGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1O 408904264 HGWVMQMPXCMWSM-UKWGHVSLSA-N 471.149 4.780 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c2ccccc12 409011025 DIBJFHWRGHVFRO-KVUWKNAUSA-N 475.589 4.525 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1 409014319 XETNQSRNWZMLSJ-AWQFTUOYSA-N 499.102 4.572 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(O)cc1 409042633 NVGBKOMWWYVPPX-SFQUDFHCSA-N 492.329 4.718 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409222124 BKPKBWIBXPTXFU-KWFUXGMBSA-N 463.877 4.939 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(C)cc1 409232960 CPWXQKYZZIHCAU-RPPGKUMJSA-N 485.009 4.885 50 40 JJGB C[C@H](c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1 1068103 HSHHUPVIPDHLEG-JOCHJYFZSA-N 450.538 4.857 50 40 JJGB N#CC(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)=C1Nc2ccccc2N1 2660462 ZOELFKWLDWPPIQ-UHFFFAOYSA-N 470.583 4.989 50 40 JJGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3cc(C)ccc3C(C)C)cc2)c1 8959120 PIFBZEJYHHCRTE-UHFFFAOYSA-N 459.546 4.519 50 40 JJGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)c1 9203003 KFQAIBSJXWSFCA-ZVHZXABRSA-N 455.308 4.579 50 40 JJGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCC)c(OC)c4)CC(=O)N3C2)cc1 9693545 ZJYPIFLMAONFMY-HXUWFJFHSA-N 465.575 4.712 50 40 JJGB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NNc1c(Cl)cc(Cl)cc1Cl 9981068 GUJPACFPQBDIJD-OAHLLOKOSA-N 450.700 4.823 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1cccs1 12374963 GRFXMPBRLLGZKO-SFHVURJKSA-N 459.600 4.572 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2OC)cc1OC 13096174 NEMJSBGQVPHWRB-HGCOGQBCSA-N 478.545 4.533 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20238316 LGSMFFXITGXQKQ-MRXNPFEDSA-N 462.413 4.805 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC 408888346 ULMXJBFRCWRIHR-VZUCSPMQSA-N 466.675 4.574 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409264765 PZXCIYBMMQTPNH-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 409376822 DFBLLRHQFHNILO-AQTBWJFISA-N 461.905 4.912 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(O)cc1 2335931 UVVWUNXKEVMLIM-FSJBWODESA-N 466.613 4.932 50 40 JJGB COC(=O)c1ccc(C(=O)N(/N=C/c2ccc(OC)cc2)c2nc3ccc(F)cc3s2)cc1 9149034 NOLBWCYWDHZVLG-VULFUBBASA-N 463.490 4.912 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)c1 15224739 JWQIBQMMKZZALX-UNOMPAQXSA-N 460.490 4.955 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)NN=C3CCCC[C@H]3C)n2-c2ccccc2)cc1 15930228 GYGXCXLBIGWHCU-LJQANCHMSA-N 462.623 4.962 50 40 JJGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 96835827 ZKJCNWCTUXXVKJ-KSEXSDGBSA-N 453.248 4.917 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408726536 OJIPEKBRHQBPTR-LUOAPIJWSA-N 472.328 4.863 50 40 JJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408756440 ZKNWZSHNSFSLOB-ZIFDNGQUSA-N 457.877 4.506 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 408778881 ZBRNSNIMLBRPGF-WGOQTCKBSA-N 469.994 4.556 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408786405 JLPXVHCVFKBNKM-HPNDGRJYSA-N 463.603 4.656 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408867939 KSIRYRRVHRGDOO-VFCFBJKWSA-N 481.593 4.993 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408872145 LIWFZUDHHHWMFD-MFKUBSTISA-N 488.034 4.716 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc(Cl)c1 408888202 TWABARNOENOFHU-NDZAJKAJSA-N 484.939 4.945 50 40 JJGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 714479 WZVOIQPLFCATMH-UHFFFAOYSA-N 478.014 4.760 50 40 JJGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 3314109 BWJZPKOTCXPSJT-UHFFFAOYSA-N 461.521 4.584 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 8721941 VKHBRBWEMZWYMB-MGSPXPDISA-N 491.544 4.503 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 9235876 PBGVFNWIQVEIMF-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB Cc1cc(C)n2c(SCC(=O)N(/N=C/c3ccccc3)c3cccc(C(F)(F)F)c3)nnc2n1 14641771 MGROUWMHJDHNOY-UVHMKAGCSA-N 484.507 4.919 50 40 JJGB CCOC(=O)c1csc(N(NC(=O)Nc2ccccc2)C(=O)Nc2ccc(Cl)cc2)n1 16956810 BYPNZGIJSVMPAE-UHFFFAOYSA-N 459.915 4.748 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cccc(C(F)(F)F)c2)cc1 67191190 VMUXFUFDHDCMTQ-LGJNPRDNSA-N 495.548 4.729 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1 96663169 GOWQUYHOIZMVTE-ODYDIQAQSA-N 450.130 4.702 50 40 JJGB Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1 408569770 PVWSJMYZHCUUMG-VULFUBBASA-N 466.632 4.805 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(I)cc2)c(OC(C)C)c1 408711914 QLGBJRYPPDVGBH-WSDLNYQXSA-N 466.319 4.630 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2c1 408781589 CPBREUYMWRHLIX-SCIRRZMWSA-N 451.530 4.845 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 408793750 QDPFCQJLKOUREQ-VZUCSPMQSA-N 481.100 4.674 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2OC)cc1 408881066 LZOAFTVSTLJORS-LGJNPRDNSA-N 473.312 4.994 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OS(=O)(=O)c1ccc(C)cc1 408890393 SKKYAYJSXGWAHS-XMHGGMMESA-N 480.517 4.846 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 409143734 HMLXIONJORHHIV-WGLQLPMYSA-N 483.362 4.611 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)NC1CCCC1 409191784 NGTMBIDQFLPILZ-PDGQHHTCSA-N 472.326 4.836 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c(C)c1 409265487 IPBMLWBBXGLFTR-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c(OCC)c1 718505 JWYFRBOELDXTRU-SFHVURJKSA-N 454.889 4.885 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)ccc1O 959083 DDOOZPJJIMXGLL-MZJWZYIUSA-N 481.936 4.534 50 40 JJGB Cc1n[nH]c2c1[C@@H](c1cc(COc3ccccc3Br)c(C)s1)C(C#N)=C(N)O2 1009145 KUVPCXDWSPXLBL-GOSISDBHSA-N 457.353 4.648 50 40 JJGB CCCOc1ccccc1/C=N/NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 8435117 PRBMWWYOCVGUGL-CTZXNJRSSA-N 453.542 4.953 50 40 JJGB N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccccc1F 8691202 UZIJVCHJJSDCHH-UFDHTVHMSA-N 474.492 4.586 50 40 JJGB COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2C1 9693398 CSLAFADVEVQFEF-INIZCTEOSA-N 456.365 4.677 50 40 JJGB CCc1c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1-c1cccc(Cl)c1 23130452 QIGVENGAJIAQMA-UHFFFAOYSA-N 453.808 4.772 50 40 JJGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OC 34689441 VTACSCIFDQRJNF-AUWJEWJLSA-N 450.232 4.671 50 40 JJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408569830 QITZKYIRBQJYMD-DHRITJCHSA-N 482.583 4.961 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1 408591862 VSDKHQFDIBXJPC-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408772185 DZSQBBQXQGBECD-WJDWOHSUSA-N 456.340 4.634 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 408789238 ORKVMKAGHFMSIJ-LICLKQGHSA-N 487.350 4.644 50 40 JJGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1 408822488 BZLRLJIVEUAMBN-MTDXEUNCSA-N 487.581 4.743 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408833885 WIFWTLMPEYXCQJ-TURZUDJPSA-N 493.629 4.828 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408899166 NSMHDCPLVDQPBS-AFUMVMLFSA-N 493.368 4.924 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1 409010978 GNZIASSEZNESED-VULFUBBASA-N 496.361 4.548 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1 409027034 RPENNDOBHKSILA-DHRITJCHSA-N 494.400 4.732 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1OC 1770041 VQFNUYCAXYSSKA-LSHDLFTRSA-N 495.051 4.743 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1C 2085007 BMLXGTUSHSKHGK-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1cccc(OCC(=O)N[C@H](C)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1 2122007 NSBANKOWHBCXIJ-WPFDCGBFSA-N 495.579 4.761 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 9323082 WAMPJWHVHVSMKD-IPPBACCNSA-N 453.420 4.929 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccc(C)cc3)CSC2=C1C#N 9693473 UXVNURGKXSBMLE-QGZVFWFLSA-N 470.392 4.986 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1OC 20243865 NCKXZQQPXCYTBG-DHRITJCHSA-N 470.367 4.946 50 40 JJGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 20510096 OCAYXTZPCRDXIJ-MEIHLTSWSA-N 488.591 4.756 50 40 JJGB COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 34703056 JFZRPFZFNOLYIW-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1Cl 408936312 HPICFHVKXGKRTA-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409045329 GGYNNGVHGKEULB-GZTJUZNOSA-N 476.876 4.811 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1C 409195281 OCJAKAMMFWRPHI-LNVYCVNDSA-N 457.530 4.609 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1OCC 409321520 SZJXKNMCRCKLRE-QRVIBDJDSA-N 465.344 4.505 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)cc1 409379302 VXUHMOPREKETBZ-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(CSc2nc3ccccc3s2)cc1 8824811 KKMVJRBXYGUGDY-BHGWPJFGSA-N 492.538 4.989 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2C2CCCCC2)cc1 9411380 YJRFXPAEQOSTDL-CVKSISIWSA-N 477.590 4.699 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1Br 27563850 UPQYTLPEXKUDLO-SFQUDFHCSA-N 495.329 4.883 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1OCC 408763383 NLRNLCYWXTYCLD-BRJLIKDPSA-N 473.289 4.958 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 409356941 HMHRFPBHVGDVJW-UVHMKAGCSA-N 486.341 4.738 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 13576964 MLWBFODGNRXQRD-RQZCQDPDSA-N 498.370 4.678 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20240471 JELPCIOFUGPSQC-TWKHWXDSSA-N 454.618 4.892 50 40 JJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 28350990 GDWONWYOQSRUEV-IMRQLAEWSA-N 473.558 4.934 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(C)cc1 33667266 APEVGXNBCCFGGJ-QRQIAZFYSA-N 473.529 4.912 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33725665 KTGVEXOFMDPYRG-FOKLQQMPSA-N 463.431 4.669 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3ccc(Br)cc3)c2)cc1 59445050 NQGIBNNVYYEULO-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 408759728 KKKLLKMAWYKOJF-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408762072 CKVUJFPKDKFWSG-UYRXBGFRSA-N 455.426 4.562 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408982094 FQVVKHIDMXPAAA-NVNXTCNLSA-N 463.317 4.798 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O 409126295 NMWGTBLJLYOJMD-SANMLTNESA-N 487.600 4.657 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 409207262 VBCKFTRSRVDALX-FOOGSPQISA-N 480.568 4.747 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/C=C/c2ccccc2)nc2ccccc2c1=O 2210001 UUCMMQKRQPZCSP-IWUXQYJBSA-N 454.555 4.602 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(OC)c1OC 2247362 SAVRRISSMPTKQV-QHCPKHFHSA-N 480.524 4.783 50 40 JJGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 2310289 XHMBNPWOWMWRPZ-UXHICEINSA-N 469.950 4.680 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 3170325 RZYNVYZTGNSNGA-VULFUBBASA-N 466.335 4.539 50 40 JJGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 59383017 CLKMNTMPOWVCRT-UHFFFAOYSA-N 492.439 4.861 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1Br 408598562 DMKJEWJYVKLMRR-FSJBWODESA-N 455.312 4.837 50 40 JJGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408759176 ZCRQMPPDVDNSBC-JYRVWZFOSA-N 461.113 4.660 50 40 JJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 408822363 LVUAMUCKQFXZCU-OVCLIPMQSA-N 475.328 4.967 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)c([N+](=O)[O-])c1 408879179 CWSADIUFQYZSTJ-WOJGMQOQSA-N 477.448 4.876 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1Cl 408995849 BOJLLOOGLBSTAP-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409071861 SOSCUCKRWRELSM-LDADJPATSA-N 482.945 4.970 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(F)cc1 409140681 HTJVWGXJWBMUEW-QFIPXVFZSA-N 499.336 4.991 50 40 JJGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409261343 AKQAOMIBJVHYGM-KFTQWTFOSA-N 483.902 4.700 50 40 JJGB COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1Cl 8829988 UJDRHBXBTFHIOJ-DHRITJCHSA-N 467.349 4.574 50 40 JJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)cc2)c1C 10118538 KUVKWIVBZZZYGH-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 16712503 SYUWDNYSHUKQEH-JVWAILMASA-N 492.992 4.624 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1ccc(C(=O)O)cc1 408544410 VXGYRNZNBKWHOW-XGICHPGQSA-N 470.060 4.522 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 408612584 VXRUUCBNGUOUBQ-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1O 408848762 SMJICDUGPDBGIH-QRQIAZFYSA-N 455.514 4.939 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OC 409218165 SVHXPQMSDOCROQ-UFFVCSGVSA-N 457.777 4.752 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC3=C2C(=O)CCC3)ccc1O 2203760 KYNZZLCGEIJTPF-XMMPIXPASA-N 475.570 4.510 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)cc(Br)c1O 3027197 PSYNSZYSIBCACZ-CGOBSMCZSA-N 496.970 4.753 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C1/C(=O)Nc2ccccc21 8984643 OPDGJVJXPBZWTK-UHFFFAOYSA-N 495.008 4.668 50 40 JJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1OC 9693116 NGYLGPYTMVCDLS-KRWDZBQOSA-N 486.391 4.686 50 40 JJGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240614 QAPVSAXLBBUGBL-TURZUDJPSA-N 456.546 4.813 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59383059 QLBYCDFFNKXZBW-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl 67192569 SLHCFIMDKIPJJO-AUEPDCJTSA-N 464.261 4.699 50 40 JJGB N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccc2c(c1)OCO2 102872179 BMKPGGZSHZGDFE-DEOSSOPVSA-N 473.554 4.734 50 40 JJGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 108996012 RODBFOGXEXGULD-MLJKTZRHSA-N 492.313 4.728 50 40 JJGB O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408659640 WEEKUPVFOYVSGR-DYVFJYSZSA-N 472.727 4.909 50 40 JJGB COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(C)C 408978801 KHWAVJRHMFBRFA-BULNNFJJSA-N 473.573 4.742 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409260153 LPKZMULJHYLEDS-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 409267046 RTPGBGMYGONCLP-UETRGQPKSA-N 465.912 4.561 50 40 JJGB Cc1ccc(C(=O)NNC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)cc1 933064 XDONIQLSEVQXPH-MRXNPFEDSA-N 468.648 4.704 50 40 JJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSCc1ccc(Br)cc1 1051834 SIGOXSPLLUARLG-FOKLQQMPSA-N 477.815 4.980 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(Cl)cc1 1904152 CRYPPJBXZSWHLI-QGOAFFKASA-N 456.926 4.545 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2233007 BZBQTOMJFOJJPG-DHRITJCHSA-N 494.667 4.938 50 40 JJGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC 8812928 FFNLJYPHLBLJGC-FSJBWODESA-N 467.747 4.839 50 40 JJGB COc1ccccc1/C=C(/C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1 9883467 IFLYPJKSSLCXKK-HMMYKYKNSA-N 451.482 4.621 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30742688 NBCLJYFAJAPICR-YVNNLAQVSA-N 493.035 4.513 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 33959816 QQZRMFMFZNGYPM-RWPZCVJISA-N 463.509 4.509 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 35223704 IOWSUWCCGBNVJE-CPNJWEJPSA-N 459.458 4.694 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3O)o2)cc1 105543564 DUVROCFLBGPYKV-NTFVMDSBSA-N 472.545 4.802 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 108916796 RDSQEGVFNOUUPT-VULFUBBASA-N 454.910 4.709 50 40 JJGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2OC)cc1 408898488 LTNZZFYGWKFWLK-MZJWZYIUSA-N 482.920 4.657 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c([N+](=O)[O-])cc1OCc1ccccc1 408972167 TVHHMOJZPQTSOP-VULFUBBASA-N 475.457 4.701 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409121017 XIWZPGOTFAZJHT-ZMOGYAJESA-N 476.023 4.672 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(C)cc1 409230315 BWDNJMIAOBLSNE-VULFUBBASA-N 464.591 4.622 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OCC 409323005 MJJVOAMZICQGPF-MIXAMLLLSA-N 487.556 4.740 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCc1ccco1 1090815 YYXZCJMPXNGCMV-LICLKQGHSA-N 455.283 4.984 50 40 JJGB CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)C4CCCCC4)c23)C1 1223125 JSSMCTGMCCCWQU-HNNXBMFYSA-N 460.669 4.662 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(F)cc1 8812817 HRYSXOQKJGENNR-DHRITJCHSA-N 457.299 4.940 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 19849269 CRQRCCBJQNDOOR-ITYLOYPMSA-N 486.557 4.783 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240664 UTAYKEFWPFJYSU-TWKHWXDSSA-N 469.585 4.692 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 20787155 RDFOSAATQFNPCD-OJEAVSNDSA-N 461.345 4.783 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 59366765 HXDOYMJQMLTGCA-NHFJDJAPSA-N 463.603 4.720 50 40 JJGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1 83293398 UUDFGHSGZOXHON-XMHGGMMESA-N 450.472 4.825 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)c1 408752336 AAKHUGRZGRKQIK-XSFVSMFZSA-N 492.553 4.716 50 40 JJGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408887413 OBBLNMYTZOIHIC-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408967366 VFUWOQUSTBYIAC-LSHDLFTRSA-N 454.782 4.927 50 40 JJGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1 408973600 UOOOPYZVTODCGM-VNEGJKPBSA-N 484.383 4.639 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409121220 SYXPXKWMKQPIKU-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409262764 JWYNWTISXVJEHO-KGENOOAVSA-N 455.514 4.875 50 40 JJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 409361887 DQFKFNOBJZTZGW-YDZHTSKRSA-N 456.296 4.873 50 40 JJGB COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)N/N=C/c2ccc(Br)cc2)c1 2313498 VAGGBUVYDBECHR-PVPASAESSA-N 479.374 4.923 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(C#N)cc3)c3ccccc23)c1 8811226 KYCPKGZVEOVTLG-MUFRIFMGSA-N 452.514 4.651 50 40 JJGB O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1 13856789 BURYDICNXWXLQG-PXNSSMCTSA-N 486.952 4.726 50 40 JJGB COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCBr 32109386 PFARWWCTSZWBLX-RSRMSENYSA-N 484.375 4.773 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58913775 ISJLQHHBGSVQNE-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 83301779 WZDHWDFXIGCTIL-GLYRRZRCSA-N 450.510 4.767 50 40 JJGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(C(F)(F)F)c1 408541382 GDEICXULCKNIJV-LUOAPIJWSA-N 455.392 4.764 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1Br 408566872 IUWYVTJECIVTOY-FMCGGJTJSA-N 455.312 4.837 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 408811878 WLJKECJNSJIOAM-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408867146 JPHXUAXDAAYTEA-OGLMXYFKSA-N 450.945 4.565 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)O 408982311 GLRYZEAXZFGMPL-NSIKDUERSA-N 493.741 4.819 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1OC 408985358 WOMZLWCNKGBJBZ-NTUHNPAUSA-N 482.705 4.816 50 40 JJGB CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc4c(c3)CCCC4)o2)c1 409165299 WBBXLASTDJZXPD-LQKURTRISA-N 460.530 4.920 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 409221384 POBUYPZRBZBJEO-KDVQLTRESA-N 491.769 4.829 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1 409317698 RUMGKJYKODWLPB-GOSISDBHSA-N 470.392 4.722 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)ccc1OCc1ccc(C)cc1 1469415 LWXOQNNQESBDDL-JFLMPSFJSA-N 485.500 4.645 50 40 JJGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 32576876 OXUBFMAGXIHONM-ZMFRSBBQSA-N 480.977 4.695 50 40 JJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(I)c2)cc1OC 33631514 RYIHVBMNBGZWCG-JHAVZTMOSA-N 486.737 4.894 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(OCC)c2)c(C#N)c1C 108991620 JUIQPFATCZMMEH-LICLKQGHSA-N 452.532 4.621 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408570146 RZGRIWHASCFRKH-WSDLNYQXSA-N 480.453 4.523 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1OC 408724123 FTGOYGGLJWCFHO-OGLMXYFKSA-N 454.530 4.937 50 40 JJGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2OC)c1 408813611 QTUDGNVIZKRLRT-LDADJPATSA-N 462.477 4.976 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 408853409 OLVQLWQSWIYNKW-JAIQZWGSSA-N 458.470 4.527 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2F)C2=C1CC(C)(C)CC2=O 409132918 YMCABROFBJBRDV-VWLOTQADSA-N 475.564 4.787 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OC 409327855 XGXMZIWIODJJNE-DICXZTSXSA-N 452.482 4.585 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cccc3ccccc23)cc1 2097218 KRLVKVAVQOMUTC-JEJIJACJSA-N 480.543 4.966 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 2225128 LLRWFNWFNLDRJQ-WPWMEQJKSA-N 487.585 4.584 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 8812087 KZVZZUCJVRNRMI-DHRITJCHSA-N 457.299 4.940 50 40 JJGB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NNC(=O)c1ccc(Cl)cc1 9662473 ZVKHVZZPYQIYOI-UHFFFAOYSA-N 454.964 4.565 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(C)n1CC(C)C 12979506 WZCGPERVLDKIOB-CIAFOILYSA-N 466.969 4.811 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 13894796 ANVVHCZEPFXHCQ-MZJWZYIUSA-N 465.937 4.747 50 40 JJGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 14245773 YYMQRKRGZXDXRH-UHFFFAOYSA-N 456.509 4.551 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c(Br)c2Br)cc1 26681033 XYFMGVFKBDBFIR-XYOKQWHBSA-N 496.155 4.870 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30809164 REZDTHJMOVIONY-FMCGGJTJSA-N 470.825 4.721 50 40 JJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC 35251321 KDUHDNPHBMSHAA-HJQVIKLGSA-N 469.763 4.818 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 107565553 GRKWMTMUXHNSBY-OPEKNORGSA-N 456.285 4.738 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408787784 GFQGPKLJCDBAOI-LDADJPATSA-N 453.336 4.968 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(I)cc2)c(F)c1 408968325 VLEFUOROODBWAH-LGJNPRDNSA-N 499.283 4.645 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cccc(C)c2C)cc1 409025963 BZCPSIXTWRELKY-OGLMXYFKSA-N 493.629 4.745 50 40 JJGB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1 409223773 HNJHHGJJUBAJBD-UHFFFAOYSA-N 491.853 4.695 50 40 JJGB COc1ccc(/C=N/NC(=O)COc2cccc(C)c2C)cc1CN1CCCc2ccccc21 2337955 KOSPSXFERPFJGC-STBIYBPSSA-N 457.574 4.794 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 3659907 OOGACIKFNZLNGL-RDRPBHBLSA-N 467.525 4.906 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccc(F)cc1 9289410 UUECIVWCNWTULO-JFLMPSFJSA-N 499.336 4.899 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)c(OC)c1 9693405 GRGCTIFMODDHDZ-QGZVFWFLSA-N 486.391 4.686 50 40 JJGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(NC(=O)c2ccc(Br)o2)c1 22742651 OZIOKORYSTXMOG-CFRMEGHHSA-N 485.294 4.665 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OC)cc1 408787982 HYDVOGCOQQGOMD-NTUHNPAUSA-N 494.139 4.552 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 409185518 ZSELEUISDHKXAR-ZXVVBBHZSA-N 479.602 4.520 50 40 JJGB O=C(Cn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21)Nc1ccc(F)cc1 2301490 IDHQIMWZNVIKKA-UVHMKAGCSA-N 493.336 4.946 50 40 JJGB C[C@@H](NC(=S)NNC(=O)c1cccc(COc2ccccc2Br)c1)c1ccccc1 2794421 AWZYBFSGFGSMPJ-MRXNPFEDSA-N 484.419 4.898 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)c1C 8812778 MBKQPTATGDCALN-WYMPLXKRSA-N 485.338 4.846 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3Cl)[nH]n2)cc1 9015069 YPDRUNZKFQNYLT-RWPZCVJISA-N 488.931 4.860 50 40 JJGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(I)o1 9261819 QITLBOZEDZXJMJ-YRNVUSSQSA-N 471.092 4.755 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247142 IQBPQTAEWZBFFO-FXXTWSIJSA-N 459.571 4.623 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1F 20348415 JTBSIWCAXDSAON-HSZRJFAPSA-N 463.534 4.623 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1 20558632 INMWUNFAPCNCDM-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB CC(C)Oc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Br)C(C#N)=C(N)O3)cc1 22531481 MYAYUWIYAKIIIU-SFHVURJKSA-N 451.324 4.845 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 58913081 XLZFESPTFFOFLV-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OCC)c2)c1 408759333 CHVUCNNBLJBCQQ-OQLLNIDSSA-N 492.313 4.643 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 408771394 GJKJPCZCSQBRHE-WEMUOSSPSA-N 477.630 4.932 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409086814 BIHICCHSUSLODJ-SFQUDFHCSA-N 488.412 4.628 50 40 JJGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)sc2ncnc(N)c12 409334798 MHYUVLBQYQFVSQ-JQAMDZJQSA-N 483.395 4.516 50 40 JJGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 409379021 UFRSWUIKXZZYTM-UVHMKAGCSA-N 464.393 4.953 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 2176048 YWYMTLFXXHJRHK-FSJBWODESA-N 455.312 4.837 50 40 JJGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 2324329 OEZXBAYBDZDBNP-MDWZQWPHSA-N 485.616 4.955 50 40 JJGB CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)c2cc(Br)ccc2n1 6073641 MHHYXYACGPZERE-FSJBWODESA-N 480.278 4.948 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)c1ccccc1 28213697 MXSRJSRSJNHNAA-HUZSXYRPSA-N 496.032 4.980 50 40 JJGB CCn1c2ccccc2c2cc(/C=N\NC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)ccc21 36046692 RJAVNUXZLAZRHU-OSYJHYBZSA-N 460.603 4.710 50 40 JJGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 58914768 PCZSLABAMXVQLB-YUMHPJSZSA-N 484.468 4.523 50 40 JJGB C#CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408566488 ADYSCHSGZCCBIV-ZSOIEALJSA-N 487.272 4.781 50 40 JJGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408609174 JOFCLLFCJJRFSI-CCVNUDIWSA-N 483.927 4.718 50 40 JJGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408612165 XUKWAQHTQYZUOV-QGZVFWFLSA-N 453.901 4.554 50 40 JJGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1OC 408720401 NGTSTOCXXIRAEL-ZMFRSBBQSA-N 480.362 4.750 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 408761627 ABKBWTOWBOLUAZ-CVKSISIWSA-N 496.361 4.629 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(F)cc1 408848603 RVLVJFRJSZZRBZ-LGJNPRDNSA-N 472.314 4.725 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409075598 SDRKNHOVSNIKEI-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3)cccc2[N+](=O)[O-])cc1 409219914 WPEHOUCAWYRCRJ-LYBXLGKESA-N 479.876 4.640 50 40 JJGB Cc1ccc(-c2ccc(/C=N\NC(=O)CSc3nc(C)cc(C)n3)o2)c(Br)c1 409228366 XXHGWVKAMJWNSI-YVNNLAQVSA-N 459.369 4.667 50 40 JJGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888737 IRQGJOUBBMAHKZ-FYAMCCBRSA-N 471.557 4.877 50 40 JJGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1OC 2256200 RDUPNYYVCAXMNH-SANMLTNESA-N 485.584 4.758 50 40 JJGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 6182997 VOLZBNMUEODRCF-UHFFFAOYSA-N 498.476 4.513 50 40 JJGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)c1 9846988 PMACCEQORWUKOQ-DHRITJCHSA-N 467.367 4.562 50 40 JJGB O=C(N/N=C/c1ccccc1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 14123842 WUBLGSZCIOEOFF-ZTKZIYFRSA-N 483.593 4.842 50 40 JJGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58913501 PGYWSYIYXFOYHP-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccccc1)[C@@H]2Br 100868614 UIKKPSSZEXZGHL-DQYPLSBCSA-N 494.065 4.989 50 40 JJGB CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101248418 BHDYGKXZMUAJLZ-MAKCPWPFSA-N 478.552 4.783 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c(C(=O)OCC)c1C 408545941 ABCMGQJHBXNXSC-LDADJPATSA-N 469.559 4.916 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408724626 GHKOYGJXGRZUHZ-DHDCSXOGSA-N 462.287 4.553 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 409007953 SLAFIGGOZVODNM-QNGOZBTKSA-N 461.562 4.767 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409065486 MDPJBDUWVJYORJ-QGOAFFKASA-N 482.945 4.970 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccccc2)C2=C1CCCC2=O 409137891 ZJAYHTFPHUZCSZ-JOCHJYFZSA-N 464.363 4.758 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409200728 ISUQURHQWZJSGR-MZJWZYIUSA-N 498.004 4.917 50 40 JJGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 409309457 HOFWBLAOQDDMFA-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OCC 409311041 DETKZTFLXXBDIP-QQXSKIMKSA-N 463.490 4.735 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OC 409320533 BRFRMRCSDMMVNF-YUMHPJSZSA-N 462.502 4.525 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)cc1 409379792 ZMSOUMIUJOPQBV-ZMFRSBBQSA-N 484.325 4.678 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccn1 1814143 WLCXWELEOSWGGI-FSJBWODESA-N 451.602 4.621 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4c(F)cccc4Cl)CC(=O)N3C2)c(OC)c1 2434457 FLSRHSQDPCVMGM-CQSZACIVSA-N 459.930 4.716 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1 9204054 YUBQCLRLZAMWOB-MFKUBSTISA-N 454.368 4.948 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 14408769 NODHEWYODJSZJT-AFUMVMLFSA-N 454.368 4.866 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19948372 YCPLYCNFWZVAGK-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 28213663 UDSIBMVKTKRTEQ-ZMRKYAEKSA-N 489.641 4.943 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58914219 TYCBADLUMIUWDQ-VYYCAZPPSA-N 457.361 4.558 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 107712437 QLZPRYWFSHRAQP-UVHMKAGCSA-N 469.900 4.578 50 40 JJGB O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408610456 UINYZBFJXRAOGJ-IPPBACCNSA-N 488.346 4.521 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 408789004 GZWGUUJSHNEFOX-SXGWCWSVSA-N 480.733 4.955 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccccc1 408897124 VWHDWNKVZHXUQA-MFKUBSTISA-N 467.319 4.831 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409008693 ZZPXQZPDQLBHFC-DICXZTSXSA-N 465.937 4.829 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409067112 PFHNUXPBVFQKPJ-AQTBWJFISA-N 452.919 4.962 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)cc1 409391242 IGQFDYKDRVBVJA-MUFRIFMGSA-N 454.530 4.596 50 40 JJGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1 1241104 MRCZFVAFTNLLDO-NTCAYCPXSA-N 451.504 4.599 50 40 JJGB COc1ccccc1/C=N/NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2cccs2)n1 1415719 GYZKQJUITLECDF-YSURURNPSA-N 477.493 4.849 50 40 JJGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 1790372 JITLXYAZKPYJAQ-MNTXUITRSA-N 466.777 4.819 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3)nc12 2411284 FHUSGEPSRGPTIY-XSFVSMFZSA-N 477.929 4.787 50 40 JJGB aggregator N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555864 ATLLHOJKHJRBAH-UKTHLTGXSA-N 454.236 4.869 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 23411033 FJAUKIMBANYEAT-JVWAILMASA-N 475.501 4.641 50 40 JJGB Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c3ccccc32)cc1 33474274 DDYOSURACMNUOD-RGEXLXHISA-N 450.498 4.840 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3cccc(F)c3)C(C#N)=C(N)O2)S1(=O)=O 67225344 DCIMXNCUBGLZAC-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 408751757 CBYVYBKMYYLZIV-SSDVNMTOSA-N 458.268 4.698 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408799440 ZDBRUHFZGXMXKT-LICLKQGHSA-N 487.350 4.508 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 408921153 FKDIPOPFPRSMGC-BUVRLJJBSA-N 470.422 4.619 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 408925641 SMDAFXKEUGXYIS-GHRIWEEISA-N 498.944 4.671 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 409005137 CRLMKTNQWOQKKC-STZFKDTASA-N 485.540 4.884 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 409134119 NENJPFGKMHRLAV-NLRVBDNBSA-N 469.994 4.769 50 40 JJGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409217639 DWXJZWVPFHJAOF-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2nccc(C)n2)o1 409268775 AGEAXTKTDUYIBD-UKTHLTGXSA-N 471.336 4.846 50 40 JJGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409332610 LAHGIIAOWGNYJB-HNNXBMFYSA-N 461.971 4.912 50 40 JJGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 935184 KDPVOQVDZBEXIZ-SWEXZPIWSA-N 466.777 4.819 50 40 JJGB Cc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccc3c(c2)OCCO3)c(O)c1 2317016 OZPUFGOABDHRKG-IAGOWNOFSA-N 456.130 4.554 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2-c2ccc(Cl)cc2)cc1 2354289 NKGOEEUTOQNFAX-VULFUBBASA-N 477.977 4.844 50 40 JJGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccccc1Cl 3143827 JDFTXVDSUCUFIN-NDZAJKAJSA-N 484.939 4.945 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 8917418 CESJYCKBDJEMLG-XMMPIXPASA-N 471.469 4.821 50 40 JJGB CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 9380347 PJWRCCQRWCNKGU-NLTRVXJZSA-N 497.576 4.928 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC 13387985 LNNWMDKLQZSALV-VZUCSPMQSA-N 466.675 4.574 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccnc1 13581592 VFHUZHPKEGULNE-PKAZHMFMSA-N 476.993 4.924 50 40 JJGB O=C(Cc1ccccc1)N/N=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 108988006 GAJVUNRMIRSDDJ-WGARJPEWSA-N 456.329 4.704 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408606719 AJVZDBMGCAHHTJ-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCN(c2ccccc2)CC1 408772603 PTUGHISBVXDEJX-VKAVYKQESA-N 462.893 4.764 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2Cl)cc1 408781421 ACYUFJYWAQEVIZ-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408783130 LCUBHXXZKDPZDG-WGOQTCKBSA-N 469.529 4.747 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 408872841 JTSWOJDUFFJXDZ-LPYMAVHISA-N 458.514 4.515 50 40 JJGB CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409007248 NFPCRPHXNRQUER-OKCVXOCRSA-N 490.604 4.573 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409188174 XDBBFTQQRVVMTJ-ZHZULCJRSA-N 458.470 4.527 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OC)c2)cc1OC 409317445 QPORLEFNGFLTHE-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 662555 SNAHDHPNQQVGIQ-PTGBLXJZSA-N 478.552 4.822 50 40 JJGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC 2695910 XVNUFUNJNVAHRR-HZHRSRAPSA-N 471.538 4.895 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 8969909 OPHMPPRDDYTLAQ-RTBURBONSA-N 490.368 4.943 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCc2ccccc21 9187397 NZQYXMHGZAQTAF-RCCKNPSSSA-N 464.525 4.994 50 40 JJGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(Br)c1O 9693521 DYVCHZRMKJHUIC-MRXNPFEDSA-N 486.391 4.691 50 40 JJGB CCOc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Br)cc1 9934798 RLMRQHWBIVDXPU-YDZHTSKRSA-N 463.328 4.926 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1 58871490 VQNBRSOUYBYOPL-WYMPLXKRSA-N 472.726 4.824 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 108936861 BXJKLKYUDHIWCX-QFEZKATASA-N 467.865 4.630 50 40 JJGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408534529 VXCBJOLSUADOMK-YPXUMCKCSA-N 465.815 4.879 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408946555 AOLDSCWIVTXFMP-QNGOZBTKSA-N 482.515 4.590 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 409193507 DYEMMZMNVJFWFX-KEBDBYFISA-N 476.916 4.880 50 40 JJGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409362418 VGBYRLFHNUJVBI-UPKGHWAZSA-N 468.513 4.853 50 40 JJGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccs1 2233201 YPRYPTLRQNADKM-ZMOGYAJESA-N 480.640 4.630 50 40 JJGB CO[C@@H](C(=O)N/N=C/c1cccc(OCc2cccc(Br)c2)c1)c1ccccc1 3089671 UHRWDOWIQQUDGV-BHSKHCGUSA-N 453.336 4.866 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(Cl)cccc1Cl 8779764 VQHWBFWYPQUFEP-FQEVSTJZSA-N 457.317 4.831 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 10131229 AVYSXEOKRJHRLC-MHWRWJLKSA-N 495.894 4.756 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC(C)=O 12140009 UZUDLQQXWINJBT-OMCISZLKSA-N 450.472 4.545 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1Cl 48572237 JJYQQPUBXRNKLS-DHRITJCHSA-N 486.753 4.770 50 40 JJGB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 97961176 DRAPLQXFNAFNIL-UHFFFAOYSA-N 492.837 4.670 50 40 JJGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408608599 HUGQEGNWRKUTNC-STBIYBPSSA-N 493.535 4.681 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408752064 FSWLPQWYEMZXNA-MFKUBSTISA-N 472.950 4.579 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC(=O)O 408798930 XKRQLEGGFYCJLB-MKMNVTDBSA-N 493.741 4.819 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409263735 BVOZYTJVHPJJQM-BLLKKSLCSA-N 491.975 4.821 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409270369 DVFPNXTYLJPHHN-WGARJPEWSA-N 496.361 4.548 50 40 JJGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)NCCc3ccccc3)o2)c1 2809058 CJJXAYWBXIWZFL-UHFFFAOYSA-N 451.592 4.642 50 40 JJGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1 9042800 WRGREMMUXBYBKE-JCMHNJIXSA-N 458.634 4.780 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cc2ccccc2o1 12540420 UNLCCFPESIASBX-ZXVVBBHZSA-N 475.570 4.716 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 19948211 CQPRXEPGWFDYGZ-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc(Cl)cc(Br)c1O 36235261 UPFVRSJZGWAOBU-YXSASFKJSA-N 490.579 4.717 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58914176 HJWJFTFVZVYWNC-VYYCAZPPSA-N 457.361 4.558 50 40 JJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59447400 YMOCHVGHRCMJAL-ZVHZXABRSA-N 468.307 4.629 50 40 JJGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(NC(=O)c2ccccc2)cc1 106824788 APLWDXNZIZLZIH-UXHLAJHPSA-N 462.509 4.593 50 40 JJGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(N2CCCCC2)o1 408842184 NMDSFQMWKWVQAA-LGJNPRDNSA-N 477.512 5.182 50 40 JJGB O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)Nc1cccc(Br)c1 408855861 GCAURKNUNSINCG-GRSHGNNSSA-N 456.138 4.560 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 408924251 MHEKQOROTSTSJO-SFQUDFHCSA-N 498.944 4.671 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1 408943584 UBTTVSKUUCGZQM-IPBVOBEMSA-N 480.849 4.994 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(I)cc1 409256842 QGSAMFDCXICWCR-AFUMVMLFSA-N 487.341 4.795 50 40 JJGB O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccccc1O 409369507 CFEDFLBYIVNRQJ-DHRITJCHSA-N 495.320 4.764 50 40 JJGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 8843147 JFEUTDVYUYKGRO-MFKUBSTISA-N 450.516 4.897 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1O 9075951 DTWLLWGIXRSUNA-CVKSISIWSA-N 479.606 4.715 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4cc(Cl)ccc4OC)CSC3=C2C#N)cc1OC 9693267 CZQXPQVNKLDOCG-KRWDZBQOSA-N 485.993 4.975 50 40 JJGB N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 35418920 OEIUCEBIXYUCLP-SLQPCKNISA-O 454.550 4.705 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C 59292135 KMEZYUVUHXSBCZ-VGOFMYFVSA-N 460.284 4.699 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 107807206 PQMILAQTXPPLLU-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3OC)c2)cc1 107898569 FHCPBCUOTYNVRY-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C)c1 408750725 QXUBWHQFHDMVJP-DXJNIWACSA-N 495.579 4.575 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c(Br)c1 408890029 MTVGGGMNELBBOG-MDWZMJQESA-N 494.139 4.529 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c([N+](=O)[O-])c1 408890240 QFJMJQVNNJMWIW-WOJGMQOQSA-N 477.448 4.876 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)c1C 408908220 VSTWDRLUGNUFRL-BRJLIKDPSA-N 494.400 4.787 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1Cl 408942755 RIAWOZPPNVGTOQ-BRJLIKDPSA-N 487.785 4.907 50 40 JJGB CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 409017768 VUIHSDGLQRJZJE-DNTJNYDQSA-N 460.553 4.914 50 40 JJGB COc1cccc(/C=N\NC(=O)c2cccc(Br)c2)c1OCc1ccc([N+](=O)[O-])cc1 409086324 VCLPCGUHRXXNGH-CFRMEGHHSA-N 484.306 4.709 50 40 JJGB Cc1ccc(C)c(-n2c(SCC(=O)NNC(=O)c3ccccc3)nnc2-c2ccccc2Cl)c1 3417506 GAUXZHXEBPMDMH-UHFFFAOYSA-N 492.004 4.758 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccnc1 9108769 NVPUHJKIBFOPJL-QQXSKIMKSA-N 462.966 4.615 50 40 JJGB N#CC1=C(N)N2C(=C(C#N)[C@]13C(=O)N(Cc1ccccc1F)c1ccccc13)Sc1ccccc12 15085260 AYWKNEUHCTVDOB-HHHXNRCGSA-N 477.524 4.665 50 40 JJGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 59436929 BYUPOCAEFILGBY-UHFFFAOYSA-N 492.439 4.861 50 40 JJGB Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1 107929134 JNOSCLYWECTFQO-QFEZKATASA-N 482.334 4.938 50 40 JJGB COc1cccc(/C=N\NC(=O)COc2cccc3ccccc23)c1OCc1ccc(C(=O)O)cc1 409187381 PSRYTWFIUTXIPW-MWLSYYOVSA-N 484.508 4.655 50 40 JJGB COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1 409266756 YGEOGBFBKDYPCI-MWPRVRPJSA-N 495.938 4.570 50 40 JJGB COc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br 409309781 MJTQMVXDUMAGRN-QFEZKATASA-N 469.335 4.809 50 40 JJGB O=C(NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2cccs2)n1)c1ccc(Cl)cc1 1415706 ORCDAGPYAPWNFI-UHFFFAOYSA-N 497.911 4.804 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 2692241 WHWWBBBRVDOGOA-DHRITJCHSA-N 487.737 4.851 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 10315718 NBUBHYVYVOXOFP-MFKUBSTISA-N 454.368 4.948 50 40 JJGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1 38268146 YEXSDQJWSVTYMB-LIQQPWOYSA-N 458.606 4.890 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 58911789 WFXNNOAYPOAIGP-KKMKTNMSSA-N 477.779 4.821 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 58911795 OIDKLHGSQFDZIP-KKMKTNMSSA-N 477.779 4.821 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C3=CC[C@H]4C[C@H]3C4(C)C)cc2)cc1 105532474 PUTMZEMQPVKZET-LCMJXBAISA-N 467.591 4.594 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)cc2)cc1 408763615 OGKXUUDHZXELEE-CAPFRKAQSA-N 471.513 4.657 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2cccc(C)c2)cc1 408843320 SUYIXRNNNJPMQD-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408898232 VWXIJYAXAAXHKK-OQLLNIDSSA-N 472.295 4.785 50 40 JJGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 1775815 CEROJWLJXBYNAP-XNTDXEJSSA-N 464.301 4.847 50 40 JJGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2899460 GVMKJVXPVMDEFQ-VULFUBBASA-N 466.335 4.539 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)c1 9110009 LJLCUZSTSGQZID-DEOSSOPVSA-N 499.592 4.985 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(I)cc1 10476081 BKJCGZGCWDBSCK-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20558691 SCJRWCPGSDJFFM-DEOSSOPVSA-N 485.565 4.530 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 30820842 PLVUIZXKRDVHQD-ZQZJVFIWSA-N 475.501 4.857 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccc(Br)cc1 35079223 WYFCFXIERZVJDR-VULFUBBASA-N 468.351 4.773 50 40 JJGB O=C(N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cc2ccccc2cc1O 102981182 HOGZCBAPDYYBTN-ZZIIXHQDSA-N 455.901 4.880 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(C)cc2)c1 408881016 LSQRAVJAYYTCHG-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB COc1cc(C(=O)N/N=C\c2ccc(O)c(Br)c2)ccc1OCc1ccccc1 409320583 QOGQKXRSAJCGTG-CFRMEGHHSA-N 455.308 4.506 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nnc2-c2ccc(C)cc2)cc1 1240014 ZONXFMBOSOGQDV-JVWAILMASA-N 487.585 4.502 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nnc2-c2ccccc2)cc1 1474428 YIFHEMOQEYKCIL-WPWMEQJKSA-N 487.585 4.584 50 40 JJGB N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428447 DHKCVUKEPOOQGD-GOSISDBHSA-N 489.326 4.863 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1C 15227079 IZBLWHUYELLKEL-HAHDFKILSA-N 480.568 4.936 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38650367 LYWPQUNCKSGGQQ-RUZDIDTESA-N 476.916 4.860 50 40 JJGB N#C/C(=C/c1cc(I)c(O)c(I)c1)c1cccc(C#N)c1 408566407 GFAVDAGIKWCCNE-ACAGNQJTSA-N 498.061 4.537 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC(=O)c1ccc(C)cc1 408898134 UUTUXRUDKJOVMZ-MTDXEUNCSA-N 453.498 4.777 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OC 408900521 VTFFMQJHZXGCOH-VGOFMYFVSA-N 460.284 4.619 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409000975 OFZUEGQPSWLCMF-IPPBACCNSA-N 499.910 4.917 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)cc1 409118062 MVZSBCMUYYIFOB-JFLMPSFJSA-N 475.492 4.603 50 40 JJGB C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409187096 LYZNZMHDVLDATL-CFRMEGHHSA-N 473.323 4.931 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2)c1 409266507 XLNYNSGUFBLRES-WGARJPEWSA-N 496.361 4.548 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1I 2766210 QYFKYSXCPMZYJV-MFKUBSTISA-N 492.320 4.908 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1)OCO3 3628411 CCVYPYYLCLKFEH-QHCPKHFHSA-N 477.314 4.975 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccccc3F)CSC2=C1C#N 9693460 USTLXQGBOZCEPT-CQSZACIVSA-N 474.355 4.816 50 40 JJGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(Br)c1O 9693522 DYVCHZRMKJHUIC-INIZCTEOSA-N 486.391 4.691 50 40 JJGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 13758293 JURQCMXCLHQXIW-CAPFRKAQSA-N 450.498 4.903 50 40 JJGB Cc1ccc(OCc2nc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cs2)cc1 21287021 QUWVYBFAZGCTTQ-UHFFFAOYSA-N 452.414 4.714 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33489117 QZEWNWOQOFPZPK-SFQUDFHCSA-N 463.440 4.537 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 58882707 XXCRWUZHSVYIDY-GTWSWNCMSA-N 493.563 4.995 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 58913456 YMNZDQXVUMSSPB-CCVNUDIWSA-N 472.467 4.600 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccccc1O 100845076 RQFONNHEXPVBGF-MTJSOVHGSA-N 465.025 4.822 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OCc1cccc(Cl)c1 408829553 PQBWHMYJYFBZPH-JFLMPSFJSA-N 468.937 4.855 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408873536 VQNZKGFNPZTIOX-UUILKARUSA-N 456.123 4.736 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC)cc3Br)cc2c1 409187330 OZSNGHFEFPXJFK-FMCGGJTJSA-N 461.312 4.765 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(I)c1)c1ccccc1 409241534 YDAUDQLUVLSFCR-ODYDIQAQSA-N 497.130 4.544 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1C 409252340 DFLQACTZZQJGSE-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OC 409366268 TVVWAACJBMPILV-YSMPRRRNSA-N 483.362 4.738 50 40 JJGB COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1 6577832 XQLWZVPEHAQDNU-QGZVFWFLSA-N 455.967 4.885 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2ccccc2c1Br 8780986 TUEVLHXLEAMKDL-UHFFFAOYSA-N 498.160 4.514 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 8861767 RSNWBYQKMKHGQZ-LQKURTRISA-N 454.482 4.646 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 13095207 DQCCBXMOSDWDCD-CVMWMZFYSA-N 471.557 4.773 50 40 JJGB CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1 15081959 MSMMNYASRJRXHP-FQEVSTJZSA-N 468.446 4.916 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(CC)sc2n1 20331973 QDNVLWKJBFHPRQ-GZTJUZNOSA-N 498.568 4.632 50 40 JJGB O=[N+]([O-])c1ccccc1-c1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCCCC2)o1 102618497 JOSYLRIETBOUDY-UHFFFAOYSA-N 473.469 4.880 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408797818 TVADOYTWVDQVQW-LDADJPATSA-N 453.336 4.968 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409191381 WUNQYCCWMKAFIN-BKUYFWCQSA-N 461.518 4.877 50 40 JJGB O=C(N/N=C/c1cccn1-c1ccc(I)cc1)c1cccc2ccccc12 4090674 OJTBXQWUSLJYCE-BUVRLJJBSA-N 465.294 4.999 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)cc1OC 9783774 UNZSONQAYPEXPY-KIBLKLHPSA-N 481.767 4.981 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2F)cc1 58925172 KBZRSKQEGWZGMN-LQKURTRISA-N 497.592 4.515 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCc1ccc(Cl)c(Cl)c1 408612464 VNPYKJKVLYKORT-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 408895587 LLCXNGHNVQLUNU-NBVRZTHBSA-N 495.944 4.612 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(F)cc1 408963847 BAEXZPKLHYYDKP-KVSWJAHQSA-N 455.848 4.841 50 40 JJGB CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 409011511 NPWWLCCZLRWMAP-DNTJNYDQSA-N 463.102 4.647 50 40 JJGB Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 409035395 PNZFXDBHIQHZAO-JLHYYAGUSA-N 469.324 4.995 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC 409041678 JAQVVTMEWNCGJP-CVKSISIWSA-N 458.543 5.335 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409129370 JKFFPPBTJITOTD-TURZUDJPSA-N 493.629 4.904 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 934959 AHGIQEFSNIYXEF-UZEPBSNMSA-N 467.594 4.780 50 40 JJGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1 1817227 IDTGWVHPZFEEKX-PTGBLXJZSA-N 470.573 4.730 50 40 JJGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2693260 PIUNLSDSFZQKRD-CJLVFECKSA-N 458.562 4.634 50 40 JJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(I)o2)c(Cl)c1 408742620 WXAZBTPFHIWDFQ-UFFVCSGVSA-N 467.694 4.709 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 408782886 KTKXMVSVCOCLHW-RPPGKUMJSA-N 499.898 4.606 50 40 JJGB Cc1cc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc([N+](=O)[O-])c1C 408849098 VBQWEOKRUXJMGD-QNGOZBTKSA-N 456.502 4.727 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccncc1 1248790 SYXVRBVZKGOHDA-WPWMEQJKSA-N 476.993 4.924 50 40 JJGB COc1ccc2c(c1)CCc1cc(C(=O)NNC(=O)Cc3nc(-c4ccccc4)cs3)sc1-2 10599911 BLPXJPOVOODKBJ-UHFFFAOYSA-N 475.595 4.650 50 40 JJGB CCCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1OC 11582429 HPYTUPUAUSCOER-INIZCTEOSA-N 463.372 4.863 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1C(=O)O 13345149 IBVGDWAMTXBWIF-FMIVXFBMSA-N 482.246 4.861 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccccc1 33537569 SDNIUIJJBBUUBI-VEILYXNESA-N 473.529 4.994 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3ccccn3)CC[C@]1(C(Br)Br)[C@@H]2Br 101051211 AYSYGAXXLZIKSF-COLVAYQJSA-N 481.026 4.706 50 40 JJGB COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 408554664 SPPPBECBWBUQEX-GZTJUZNOSA-N 462.575 4.662 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408745234 KSROLPYOAXDVOC-VBKFSLOCSA-N 460.402 4.850 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408778162 CEKSHLRXNQGCHG-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1OCc1ccc([N+](=O)[O-])cc1 409076540 AKHJQGAZAJTFOV-CFRMEGHHSA-N 484.306 4.709 50 40 JJGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Br 409332060 FUWOZCRZAVHBIK-IWIPYMOSSA-N 461.356 4.965 50 40 JJGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c1 2326497 AZSNVDRDWNSHIM-SFHVURJKSA-N 456.365 4.677 50 40 JJGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 8860975 DOIWVXPOGQNOFB-YFWLPYILSA-N 460.328 4.614 50 40 JJGB Cc1ccc(CSc2ncc(Br)c(C(=O)NNC(=O)c3ccc(Cl)cc3)n2)cc1 11916292 KXDHIDMDPLVBOJ-UHFFFAOYSA-N 491.798 4.568 50 40 JJGB N#CC1=C(N)OC2=C([C@H]1c1ccc(Cl)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558208 DLIIUKOUAQXOPB-QFIPXVFZSA-N 475.957 4.866 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 30820843 PLVUIZXKRDVHQD-GEGDGZKASA-N 475.501 4.857 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1OC 98035267 KBZUNUDNYRSILV-GDNBJRDFSA-N 492.313 4.643 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408566189 FAVMGONMMHXZHG-JVWAILMASA-N 461.518 4.882 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 408718772 HJBCBLUYIMRLDG-WOUQKVISSA-N 451.523 4.849 50 40 JJGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)CCCC3 408731303 JOKRAFYSKKKNQP-MZJWZYIUSA-N 460.534 4.537 50 40 JJGB COc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)ccc1OCc1ccccc1 409312365 KRSMWOUVTHOWGR-MXAYSNPKSA-N 485.334 4.515 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cnc2ccccc2n1 1095819 LJARCLNLZPAMFI-LGJNPRDNSA-N 461.319 4.735 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1Cl 3086932 XUKNJYLDIISLTA-RWPZCVJISA-N 465.937 4.829 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 5352109 APETUQOLIMFAPV-DHRITJCHSA-N 479.949 4.889 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1 9679471 BWDFSAFFRFCXMV-KPKJPENVSA-N 466.129 4.862 50 40 JJGB O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 10998333 HATQKVVHQRLZJW-UHFFFAOYSA-N 480.480 4.650 50 40 JJGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1 13777445 PKSSCIRJSWNEGH-KNTRCKAVSA-N 466.497 4.603 50 40 JJGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 31783567 GYWQVZMDJKYOMG-QDTIIGTASA-N 458.587 4.881 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38650368 LYWPQUNCKSGGQQ-VWLOTQADSA-N 476.916 4.860 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 408601947 CMZDLGVAAOQIIQ-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCc1c(Cl)cccc1Cl 408608690 IFRBILMVKVTWIA-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccccc1Cl 408608788 PRTJJAHUXFPFFF-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409027191 BULKJWATGKXCII-TURZUDJPSA-N 493.629 4.904 50 40 JJGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2)c1 409223645 JAHQQSFFYXPTNF-UHFFFAOYSA-N 453.454 4.515 50 40 JJGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(Cl)cc1 409255054 ZASMTOFGECLIBW-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1Cl 409333230 JGILYDQJZNXPPS-INIZCTEOSA-N 455.967 4.676 50 40 JJGB CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(COc3ccccc3Cl)c1)C(C#N)=C(N)O2 622907 YEXKZHFZOVPNBN-NRFANRHFSA-N 450.926 4.821 50 40 JJGB COc1cc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 985177 ZUMDCKSCMQTHPD-INIZCTEOSA-N 473.316 4.627 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccco1 1773315 YOPKCMGJQLZJJE-KEBDBYFISA-N 469.460 4.621 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nc2ccccc2c1=O 2705698 DNFOJAYDKJASGS-IPPBACCNSA-N 496.514 4.955 50 40 JJGB CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1 8763869 GZSXTEVBQGCQJM-GJLBFZBFSA-N 487.556 4.820 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21)c1ccccc1 8836364 DUBMQUWLICNPTH-GBWQBGJGSA-N 499.368 4.751 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 9355318 NJUBYXUTDZIQDC-DHRITJCHSA-N 498.333 4.774 50 40 JJGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 9399182 LXQNHEWIWCXJBD-RIYZIHGNSA-N 457.143 4.559 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1OCC 12276184 WNKCJUZDLQXZQV-IBVKSMDESA-N 480.586 4.526 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 13055125 KTHGUQAEBHWZKK-HXUWFJFHSA-N 457.939 4.564 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408726734 UYQIRBDHDLYUAC-GDNBJRDFSA-N 490.297 4.506 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408790463 WLKAHOMSLCGONV-LICLKQGHSA-N 457.324 4.554 50 40 JJGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 408876407 OKAXQGYEGNSCLU-AUEPDCJTSA-N 481.361 4.597 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(C(=O)O)cc1 408965534 IIVNYLCEYDUZDY-OGLMXYFKSA-N 469.497 4.527 50 40 JJGB COc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 408981185 VDJUHPKRDYXWAG-LBYSXPAKSA-N 451.526 4.860 50 40 JJGB COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c1C#N 409008157 UTLDQOSWCJFJOA-XODNFHPESA-N 475.618 4.675 50 40 JJGB N#C/C(=C\c1cc(Br)cc(I)c1O)c1ccc([N+](=O)[O-])cc1 409211512 NOIWHCLNNCBWCG-VZUCSPMQSA-N 471.048 4.732 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1Cl 956035 SQSDSMOXINJCJW-OOIVEFLKSA-N 476.964 4.794 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(Br)cc1 1055718 QRBHUHUIOFMOLE-VULFUBBASA-N 497.345 4.514 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 10130531 UTGCBUPVEVXFJF-PDGQHHTCSA-N 491.931 4.920 50 40 JJGB COc1ccc(C(C)(C)C)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 12276867 DCUPPLMIMFBUKM-QGZVFWFLSA-N 467.566 4.842 50 40 JJGB C/C(CC(=O)Nc1cc(Cl)ccc1C)=N/NC(=O)COc1ccc(C)cc1Br 12447005 ONBMTYPRTVPAJW-OYKKKHCWSA-N 466.763 4.619 50 40 JJGB O=Cc1cc(Br)ccc1O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 24738372 BLLFLEXWBCJYNS-PSAKCFHXSA-N 465.185 4.677 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)sc(C)c1C 33339718 CYGBHNJQJARGGR-ZSOIEALJSA-N 463.353 4.858 50 40 JJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333233 AOZDBOZQZVQDBJ-HKWRFOASSA-N 451.954 4.559 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N 59334823 JGXSFWYTFPXDBS-JAIQZWGSSA-N 450.336 4.623 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 107808125 UZGYZWVOOGCAEJ-JFLMPSFJSA-N 469.501 4.629 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 110222668 PULZBHCXHFQTHG-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OC 408567664 GBJGDFAXPDDUTK-FSJBWODESA-N 467.012 4.755 50 40 JJGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408857985 IBOTZIPCAIMLMH-UXHLAJHPSA-N 466.507 4.792 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408885644 DHBLOQAZSJOULR-CPNJWEJPSA-N 487.468 4.816 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)cc1 408954737 UXNCXBSNGNJWGH-YFHOEESVSA-N 487.091 4.591 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 409006218 HZXYBYQGTTZRNF-STZFKDTASA-N 485.540 4.884 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409193016 HBIHJCIKZWZLKZ-YVLHZVERSA-N 455.898 4.802 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409223309 FEFJXRBVKUUVLG-ACAGNQJTSA-N 468.724 4.726 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 2785723 SYORMRUCCCMDCY-YSURURNPSA-N 492.319 4.524 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1)c1nc2ccccc2s1 9368915 SZHRFDYDTNLKPU-GHRIWEEISA-N 465.490 4.562 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)n1-c1ccccc1F 12546768 ZBQJNUBMLRPQIG-LPYMAVHISA-N 457.505 4.811 50 40 JJGB CC(/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)=C\c1ccco1 16789685 UYZMKVOKOTVMMV-IBRRLFCRSA-N 478.965 4.873 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2C)cc1 20059947 MCVQOQIJYSHYRQ-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(CN(C)C(C)=O)c3)c2C)cc1 25961163 XMWZTWZJEKXTEQ-HZHRSRAPSA-N 456.546 4.627 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 27345732 VANTVPOOFNKILD-XDHOZWIPSA-N 483.517 4.581 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 33389434 RRAFFQZLAMNBFJ-YZYPPFLQSA-N 497.201 4.667 50 40 JJGB Cc1nn(CCC#N)c2c1[P@](=O)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2 104990534 BOYYVOYJWHCCAD-IISCSVRLSA-N 455.502 4.774 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OC 408568289 SLNGLTKYBNHLGI-ZVHZXABRSA-N 494.373 4.689 50 40 JJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(OC)c1 408800734 PAAOQZRRBAVRGF-NTUHNPAUSA-N 476.714 4.568 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408837568 IWGHPICQFRLLEY-YZSQISJMSA-N 473.957 4.523 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409027002 OISDVOFGKQUTEQ-RUTRRBQKSA-N 495.601 4.573 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1cccc(Br)c1 409311004 XTRSUJFSZWYMDH-QZTJIDSGSA-N 491.794 4.774 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(C#N)cc1 9204694 LYNJQMPANAMCEK-LQKURTRISA-N 492.373 4.991 50 40 JJGB CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc1c32 9846932 YHRLRDBYDBOMIJ-BQYQJAHWSA-N 466.453 4.556 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(F)cc1 10118542 LFMFVNPZJCORSI-FSJBWODESA-N 461.278 4.602 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 23217358 WXPZNAABGDIKNE-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1F 59921689 TVFDHXYXWMWNQP-ZCTHSVRISA-N 484.527 4.800 50 40 JJGB CCn1c(P(c2nc3ccccc3n2CC)c2nc3ccccc3n2CC)nc2ccccc21 101023626 UCDLVHYMSYRIMG-UHFFFAOYSA-N 466.529 4.554 50 40 JJGB COC(=O)CS/C=C(\NC(=O)C(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102579653 WHCCSOBHJSSSBU-LKUDQCMESA-O 492.601 4.848 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2OC)c(C#N)c1C 408546007 CAXSENFPVPBWLJ-WOJGMQOQSA-N 465.575 4.678 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c(C(=O)OCC)c1C 408546712 NNAIZVBOTDELFI-MKMNVTDBSA-N 489.933 4.511 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1Br 408760843 AFHKAHGIDTWEJG-UFWORHAWSA-N 490.977 4.747 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)OC 408798193 VDRUUBFMFJGKFF-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCC(=O)OCC 408991335 QETJGOYWAPJDGQ-XDHOZWIPSA-N 468.937 4.873 50 40 JJGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409062903 CPRLCYNGHJIUTL-KBKYJPHKSA-N 465.828 4.887 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccccc1 409075792 UFQJNMSYXFCTOP-NBVRZTHBSA-N 466.490 4.538 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OCc1cccc(C(=O)O)c1 409248267 OSRGAFBZJDJZNO-ULJHMMPZSA-N 470.525 4.628 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 409264174 NKDXOOQODIPTSV-YSMPRRRNSA-N 451.910 4.520 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1O 1474684 RZIOLJKVORCTEZ-JFLMPSFJSA-N 487.585 4.508 50 40 JJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)ccc21 2057374 RJAVNUXZLAZRHU-VMBKIOOXSA-N 460.603 4.710 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2344942 JIKGTJWBTGDCOL-CVKSISIWSA-N 477.977 4.839 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccs3)nnc2-c2ccc(C)cc2)cc1 8931842 BUTOTLVYBHVXMI-UQQQWYQISA-N 477.615 4.945 50 40 JJGB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3C4CC5CC(C4)CC3C5)c2)c(C)c1 9561717 SOCKTKVGPAUNJQ-UHFFFAOYSA-N 451.592 4.646 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)c1 13371831 CMCHGWCPPOCZLX-JVWAILMASA-N 492.988 4.542 50 40 JJGB N#C/C(=C/N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1nc2ccccc2s1 17223592 TWGMZRJSYHTIJB-IWACSMKYSA-N 450.526 4.970 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 19950183 GMCUNTJAJAMYKB-WPWMEQJKSA-N 477.973 4.839 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59333132 DCOULZCSNLHHCV-CLCOLTQESA-N 454.574 4.749 50 40 JJGB CC1CCN(C(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 100868644 ARUNAWUFAFVWRC-UVBJJODRSA-N 486.086 4.931 50 40 JJGB O=C(Cc1ccccc1)N/N=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408553738 PILCERRJWLNGER-WGARJPEWSA-N 456.329 4.704 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408612565 VSZQRPSDMXEREU-LQKURTRISA-N 495.963 4.805 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408772810 NEYMGHAROGFBOO-SGWCAAJKSA-N 493.629 4.863 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408888138 XFMRKVXSEPMUFN-RVDMUPIBSA-N 492.831 4.921 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)oc12 409098153 NODJAKMJHUCNBA-DNTJNYDQSA-N 452.648 4.529 50 40 JJGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C)c43)cc2Br)cc1 409148636 ZAHNSVLNYGKNHA-HXUWFJFHSA-N 451.324 4.586 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2-c2ccc(Cl)cc2)cc1 1308573 PGJSPKOEDQVXAL-VULFUBBASA-N 462.966 4.534 50 40 JJGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 3063538 QCLDCEZUTOUMHS-UHFFFAOYSA-N 494.260 4.863 50 40 JJGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 8843151 WJFSFKBBAVPQJO-JVWAILMASA-N 459.571 4.526 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)NNC(=S)Nc3ccccc3)n2C2CCCCC2)cc1 16311301 QKDIBCKISDVPNP-UHFFFAOYSA-N 480.663 4.869 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C 33770926 YQMQTAQLRIWTGR-MHWRWJLKSA-N 475.482 4.992 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccccc3Cl)c2C)cc1 40161894 OSXWTMBIRNGWGB-UYRXBGFRSA-N 463.921 4.845 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc2ccccc2c1O 102976495 DOTKYLKOGUCOSW-NHBJTRRYSA-N 473.573 4.868 50 40 JJGB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c(Cl)c3Cl)C2=O)c(C)c1 408534758 QYPNLBMBSKJUCV-XYOKQWHBSA-N 461.330 4.762 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408791893 DYELRFNHNMLGJK-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OS(=O)(=O)c2ccc(C)cc2)c1 408887010 LAHTWAAFDMCHPD-KGENOOAVSA-N 476.554 4.934 50 40 JJGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 408927009 ZFWYUAAFVGDPJB-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408957517 UTQIJGBQENZZEY-WPWMEQJKSA-N 480.586 4.833 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2Br)ccc1OCC(=O)Nc1ccc(C)cc1 409009221 CBCZWHHMSFLSNH-WGARJPEWSA-N 496.361 4.548 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 409184923 INYSNRHPLPVATB-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccco1 409222593 CKRXSLCZLLHHKR-UHFFFAOYSA-N 487.468 4.507 50 40 JJGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409335723 ZAPFXBCOMCYGDQ-GDLZYMKVSA-N 498.652 4.843 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccncc2)cc1 949947 UBVYRMLXSJARRG-IPPBACCNSA-N 496.518 4.899 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccccc3Cl)nc12 2435233 WUCUQFIAUFELPY-NBVRZTHBSA-N 477.929 4.787 50 40 JJGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1I 3255410 RKKARQTUUVJLCT-UKTHLTGXSA-N 497.130 4.998 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 19926338 VKCMVARUHSRFAX-OVVQPSECSA-N 499.036 4.532 50 40 JJGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 33683796 WVRDZHJIZSRTIP-KHAFMBKQSA-N 473.323 4.879 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 38603104 GYCADMGEPHREBA-BUVRLJJBSA-N 466.541 4.859 50 40 JJGB O=C(CC(=O)C(Cl)(Cl)Cl)[C@@H](Br)[C@H](Br)c1ccccc1 101051508 WGOAJXGQPCBDGW-GHMZBOCLSA-N 451.369 4.785 50 40 JJGB CCc1cccc(CC)c1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408644164 GWYCPOKSZDONDW-FPOVZHCZSA-N 459.945 4.727 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)cc1 408764510 XELBYFABQHGWST-WKULSOCRSA-N 469.463 4.724 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 408863072 KSUSQFGHZMJKHZ-ZTKZIYFRSA-N 456.590 4.560 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OC 408867881 KJJCHVAPWHKTFP-MHWRWJLKSA-N 476.314 4.807 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 408879836 HBUGINXBKPFHSM-AFUMVMLFSA-N 498.333 4.638 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1 408889670 IUQGFZJATUIJRU-GHRIWEEISA-N 468.918 4.662 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1F 409093719 BHGBKAUIXSPNJQ-VWLOTQADSA-N 460.461 4.750 50 40 JJGB O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1ccco1 2229753 SPUPJTLWYKFEGZ-YDZHTSKRSA-N 482.363 4.532 50 40 JJGB CC1(C)[C@@]2(C(=O)Nc3nccs3)CC[C@]1(C(Br)Br)[C@@H]2Br 2243743 MLAXNGBDVHHWPH-YLJLNXRRSA-N 487.055 4.767 50 40 JJGB CC(C)(Br)[C@H](Br)CC[C@@](C)(Br)[C@H](Br)CO 5940640 KNNMIDQUZTUBJU-NQMVMOMDSA-N 473.869 4.613 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(OC)cc1 10130272 PPKUYDGYMLXFNQ-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)nc2ccccc21 12529385 LIYASCHOLJPADJ-ZVHZXABRSA-N 496.687 4.991 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 105053090 NHDUUKXFMVPCCA-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc(F)c1 408784734 SFYCOJPXSAWKCW-IUXPMGMMSA-N 461.331 4.997 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409053937 DUWDZBCTTGLAQL-XSFVSMFZSA-N 471.513 4.663 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OCC)c1 4290906 TUMFPLPBONIHGQ-NBVRZTHBSA-N 457.910 4.973 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1cccs1 12374964 GRFXMPBRLLGZKO-GOSISDBHSA-N 459.600 4.572 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(CSc3nc(-c4ccccc4)ccc3C#N)c2[C@@H]1c1ccccc1F 16492905 MZRZXBNKYWCHEP-JOCHJYFZSA-N 480.528 4.993 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(F)c1 30735303 QVWMGWGTMFEEOR-NKVSQWTQSA-N 452.989 4.865 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 105058526 ZMPDQTIBYHKJTL-YSMPRRRNSA-N 452.894 4.730 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cccc(C)c2)cc1 408768177 UOODHMPQQPNVHS-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408881275 KLIJYBVPHSXUCO-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 409222426 CXCUHPQGUCMEOL-QNGOZBTKSA-N 455.514 4.957 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1OC 409359253 ASSVSVWJRIWUOK-WGARJPEWSA-N 484.394 4.875 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3ccc(-n4cccc4)cc3)c3ccccc32)o1 409393909 SZFKHQZZURBUEW-NTFVMDSBSA-N 466.497 4.624 50 40 JJGB Cc1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c2ccccc2n1 2320572 AUPWRFWBAIADPH-ZVBGSRNCSA-N 463.129 4.538 50 40 JJGB C[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 6177537 CJIRCQLSUKSMNK-DPJVGPGTSA-N 463.899 4.887 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1COc1ccc([N+](=O)[O-])cc1 8742355 WILBKFWSSXKJEW-MUFRIFMGSA-N 484.512 4.898 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)c1 9934636 DPDNYMRTDSRZGE-VULFUBBASA-N 498.377 4.806 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1cccs1 32581110 MCJDQVGGXUOTHE-DHRITJCHSA-N 472.950 4.857 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)c1 34687509 AHWQOPQSGHZGBM-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 59436922 DKPISXFAEDHSGL-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(F)cc1 408608225 OUGXBPJSFXPPRP-FQEVSTJZSA-N 477.536 4.526 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(F)cc1 408609756 RVWXAHUKJXOTDR-SFHVURJKSA-N 497.954 4.953 50 40 JJGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408769339 RKVZXWWTBWQLQR-UHFFFAOYSA-N 451.633 4.547 50 40 JJGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C 408780109 SJJPVIVZCOPDPY-ZMOGYAJESA-N 487.341 4.780 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408782452 HCMVKNMKCASXLN-MTDXEUNCSA-N 489.519 4.750 50 40 JJGB N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1nc2ccccc2[nH]1 409065870 KWDQKMFIUPMYBD-VZUCSPMQSA-N 477.112 4.615 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc2ccccc2c1 409091001 SDLMRKJOFALGOV-UFFVCSGVSA-N 495.114 4.676 50 40 JJGB O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1 409221715 ABPINXLCDGSDDD-UHFFFAOYSA-N 453.454 4.515 50 40 JJGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 1436754 KUYDAPYEAVGPKI-JOCHJYFZSA-N 463.379 4.820 50 40 JJGB N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2214328 APYLARRGUGMYSN-XSFVSMFZSA-N 483.499 4.811 50 40 JJGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccc(F)c1 2214728 YYXSGRCLVTZOST-MZJWZYIUSA-N 492.601 4.708 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2349112 TWWQXVUZPWNEQW-YWDBVWQESA-N 463.946 4.676 50 40 JJGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 12933506 VWMUAROSWZOTNH-UHFFFAOYSA-N 476.583 4.622 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1)c1ccccc1 19937076 KHSIHOJBQOMOCG-JVWAILMASA-N 492.988 4.618 50 40 JJGB C/C(N)=C(\C#N)C(=O)CSC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 33684993 SSJXGNRWJVKUAZ-KORASKELSA-N 458.587 4.921 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 34687297 VQUWAFOZYXWMQL-ZMOGYAJESA-N 453.340 4.579 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(Cl)cc2)cc1 408864560 XMPVAVQIVLKPHG-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409269742 MKGZGOOMRCIFGR-WOJGMQOQSA-N 491.931 4.926 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 409326935 OYAXEDDICNRXOJ-ZMFRSBBQSA-N 499.907 4.617 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)o1 409391943 KKTRDPBLSKAJHD-FDVSRXAVSA-N 481.508 4.752 50 40 JJGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1 8860978 DOIWVXPOGQNOFB-MGIQNHSNSA-N 460.328 4.614 50 40 JJGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@H](c2cccc(OC)c2OCC)CN1C(=O)CCl 11692285 CWYWFQPDEJMFTA-QYBDOPJKSA-N 484.980 4.566 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 14134697 XWGATGXZEKVGAC-QMPKWXHSSA-N 459.329 4.765 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccccc1 20175701 GXASOUFKWQEURO-HXUWFJFHSA-N 481.350 4.677 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1ccc(Cl)cc1 59472949 DWEOVNDBZMNQIM-NRDUTDNZSA-N 466.921 4.608 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 105056800 XXNBPIHWFUEGKL-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(Cl)c1Cl 408736322 ANZMILSDDSYYFT-HIDRHVPLSA-N 475.376 4.918 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 408768083 STIUNGVGGYPMIM-OVVQPSECSA-N 463.603 4.718 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1C#N 408795875 NKPRFMQXKCDIKQ-CIAFOILYSA-N 468.469 4.990 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I 409245409 SHXXQLZOOFETOZ-BRYHAGSVSA-N 458.299 4.640 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409252097 SJQWAXKIJKJYNN-DEDYPNTBSA-N 471.513 4.581 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1Cl 409322135 IUUIJDOQMCSFDO-OAHLLOKOSA-N 462.358 4.713 50 40 JJGB COc1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 660005 NNXRKVCZYKDZLK-XCZPVHLTSA-N 471.564 4.774 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 934995 IJPISXVNTLAGTA-YDYXIROLSA-N 457.555 4.639 50 40 JJGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 3338436 GWJARYJMUHPGFZ-QFIPXVFZSA-N 463.877 4.676 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccc(O)c1 9019700 DBOTVMCWEMXEIY-WGOQTCKBSA-N 477.977 4.926 50 40 JJGB COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)ccc1OCc1ccccc1 9088689 AQZDOFSNTDECCI-JOCHJYFZSA-N 499.592 4.985 50 40 JJGB O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1csc(-c2cccs2)n1 12553405 SZVPFLLPVCGTMH-UHFFFAOYSA-N 457.540 4.557 50 40 JJGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc(I)c1 20247965 BWECECZFLGUTKC-UDWIEESQSA-N 458.752 4.718 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(F)cc1 33691726 MXEKKVGEGLORMR-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 33696693 KDAIVOWPNVHMJE-NTFVMDSBSA-N 483.480 4.718 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C(/C)c3ccc(C#N)cc3)c3ccccc3n2)cc(OC)c1OC 34881904 KHFJILRTKRNKCV-LJUMEUDFSA-N 480.524 4.953 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 83314687 MOQJLUJBGABPQS-WGARJPEWSA-N 454.910 4.709 50 40 JJGB O=C(N/N=C/c1ccccc1OP(=O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 98005161 DBJMSNQUEMQDNQ-ZXVVBBHZSA-N 485.436 4.667 50 40 JJGB COc1cccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1OCC(=O)Nc1ccc(F)cc1 408568563 KLLZWXXNRKXFKH-WJDWOHSUSA-N 460.440 4.931 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408677006 OJRDUZWHFOJNAA-WPWMEQJKSA-N 474.517 4.547 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC#N 408796345 XXOKUYQGJSRRSG-NTEUORMPSA-N 460.715 4.949 50 40 JJGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408875375 DYZQQBLNHRDTEV-NTUHNPAUSA-N 452.679 4.889 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C 408907783 RPAYSPWCWUYUND-RWPZCVJISA-N 489.519 4.668 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1O 409325645 ZEOKNJHBIVVINE-WGARJPEWSA-N 454.910 4.796 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409392500 PSVVVFIIQWBQDH-LQKURTRISA-N 454.486 4.889 50 40 JJGB COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1791045 URNRWEXCQNGFRE-CVKSISIWSA-N 477.977 4.839 50 40 JJGB Cc1cccc(NC(=S)NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1C 9910389 QNJZORQIOWSKDO-QFIPXVFZSA-N 481.021 4.836 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(Cl)cc2C)cc1 20060032 REEHXEUPNOKPGC-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1cc(C(=O)NNC(=S)Nc2ccc(C(F)(F)F)cc2)cc(OCC)c1OCC 22707535 YBMYVEHCZTVGHC-UHFFFAOYSA-N 471.501 4.533 50 40 JJGB CC(=O)Oc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33870244 JPFHYYPLLYESDV-NTFVMDSBSA-N 471.513 4.955 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F 58913052 QEYZVEITQSDGLD-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O[C@@H](C)CC 107979338 LVSILTASTVRPSQ-LTOJSDLTSA-N 478.343 4.626 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 408614758 HIOVRCWILVSVTO-LQKURTRISA-N 495.963 4.805 50 40 JJGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c(F)cccc1Cl 408872727 PDSPOVMPLTZMHR-HCGXMYGOSA-N 489.743 4.990 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccccc1 408892862 KJGXHZJKHNZAKF-CPNJWEJPSA-N 459.458 4.737 50 40 JJGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCC1 408976472 AYBJSXUXHUCHRQ-UHFFFAOYSA-N 462.015 4.747 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)S(C)(=O)=O 409117729 MJWZKGOJVMMMKB-MTDXEUNCSA-N 471.582 4.878 50 40 JJGB N#C/C(=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 409204856 KNRUXASFIHSGNN-DEDYPNTBSA-N 476.916 4.750 50 40 JJGB COc1ccc(C(=O)N/N=c2/oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 1775968389 FJTJDLFJQSZFFA-RMLRFSFXSA-N 489.329 4.993 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc2ccccc2o1 953458 UISNDOFCTBQRGQ-FYJGNVAPSA-N 452.466 4.884 50 40 JJGB O=C(CSc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1)Nc1ccc2ccccc2c1 3085314 HAYJLWYOYAYLOZ-AFUMVMLFSA-N 474.498 4.836 50 40 JJGB Cc1ccc2cc(/C=N/NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)c(Cl)nc2c1 3327473 UMYJJTHFWVETPV-WKULSOCRSA-N 481.943 4.719 50 40 JJGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 9140565 ABNSKRQPWWNYRH-UHFFFAOYSA-N 492.491 4.927 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccco1 20348593 PQQCYJZDDXDNFU-HSZRJFAPSA-N 463.559 4.694 50 40 JJGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)OCc3ccccc3)c2)o1 101145709 FRACWRGHQHLAAP-HYARGMPZSA-N 452.466 4.526 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408610650 OSSHMWMBVYWLBR-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408761574 GGHAMOOOPASHHU-AQTBWJFISA-N 482.945 4.970 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OC(C)C 408814510 ZHBYLRPFIXPTNT-OQLLNIDSSA-N 462.287 4.633 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 408845168 PFFBBJPPNMJCFJ-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(F)cc1 408851633 DTQOHCKMXSNHPI-LGJNPRDNSA-N 472.314 4.725 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2)cc1 408978776 JZUIOZZMUCKWIQ-SECKTWPTSA-N 493.629 4.590 50 40 JJGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 409222915 FFEGZMNHPLLVBL-UHFFFAOYSA-N 492.746 4.983 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 1790815 OUFVOXJZNMNXNY-UYPHOHSBSA-N 497.201 4.667 50 40 JJGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 3416118 BVHUTAVVCPHKID-VUTHCHCSSA-N 465.557 4.655 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 59145964 HQMRRXPWAYSUAB-LNVKXUELSA-N 472.342 4.589 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 59459548 QZSWNQYYYUQBOY-VULFUBBASA-N 490.412 4.643 50 40 JJGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408602640 DADBFDJMTNGEOE-IBGZPJMESA-N 499.936 4.845 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408772970 OIYFIBVPXFDZBK-MYKKPKGFSA-N 457.246 4.805 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408867936 MUMFZTYJHBKKEN-WGOQTCKBSA-N 495.548 4.811 50 40 JJGB CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc2ccccc2c1 409010647 CSYRDLJLNXYCMG-ZMOGYAJESA-N 488.325 4.892 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccccc1 409226600 VFNYRFDJPAHORT-UHFFFAOYSA-N 483.480 4.524 50 40 JJGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2Cl)c1 409226775 WVPCCCAFIBQQCK-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1092061 MISHHPXRMNQRTC-LSFURLLWSA-N 496.590 4.874 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(O)cc1O 2358372 QPSSMBMWEUFUCF-FOKLQQMPSA-N 482.612 4.637 50 40 JJGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(-c4ccc(F)cc4)o3)c2)cc1 2646535 GWMUZYWXVNLOCY-JVWAILMASA-N 493.516 4.659 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203628 WIDAUIFYHIOIRB-ZMOGYAJESA-N 469.339 4.766 50 40 JJGB CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 13147884 VIGBDCDIWZPKMY-OVCLIPMQSA-N 484.169 4.508 50 40 JJGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 33721799 UFLMQUOXGVKFCA-PPDIBHTLSA-N 454.408 4.898 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58913759 FVADJBPBWICXKT-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 59101472 XSHCFYONRAGJAG-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 59333683 YDVRRWBUQQKKKN-DHDCSXOGSA-N 464.157 4.786 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744836 HRXHTSCZXJXWOV-SDQBBNPISA-N 484.133 4.853 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408756558 WBYAYEMDNCWOOX-LGJNPRDNSA-N 472.328 4.783 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O)c1ccccc1 408812647 SXNUODJYRAUHNY-LLUUXILJSA-N 497.130 4.544 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 408975501 MHCNVGVHSBXIFR-WPWMEQJKSA-N 468.469 4.722 50 40 JJGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c[nH]c2ccccc12 409014711 NURQZLAZFQBYJT-FWMXURJXSA-N 489.403 4.923 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)C2=C1CCCC2=O 409148542 QLDZLQNOOYVYQN-QFIPXVFZSA-N 482.353 4.897 50 40 JJGB O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 409227362 YAXDMZVONLWEMX-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc3ccccc23)cc1 409227428 YMPULFCHESRWLK-YUMHPJSZSA-N 469.453 4.740 50 40 JJGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 1001379 ZXCQTUGFCXDRKJ-LGJNPRDNSA-N 483.384 4.879 50 40 JJGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2[N+](=O)[O-])cc1 1085013 SWVFAZFGDUSADV-QHCPKHFHSA-N 459.502 4.933 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(I)cc2)c1)c1ccc(F)cc1 8812339 IHLKDGIHUKXBDS-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB CC/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 9289740 FFDZVKCTIFDDTI-SGWCAAJKSA-N 492.988 4.767 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)o1 107911267 IRLDSYZWGJRDCJ-YSURURNPSA-N 463.273 4.636 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 408586411 BTFUEPIVRAWRKT-FSJBWODESA-N 471.311 4.537 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCc1c(F)cccc1Cl 408611927 SLFJFOFWAUDPAS-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 408783416 OVDLXORBWCOEGZ-LQKURTRISA-N 453.498 4.635 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408783855 NUZPRDLNZIBGOO-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 408921246 ABINPZAHIKAJIE-RCCKNPSSSA-N 489.553 4.575 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 409047369 OLGXTSBOCQCZBS-QGOAFFKASA-N 461.905 4.912 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C 409115544 MRARJWZGDBZIEL-JJIBRWJFSA-N 450.004 4.690 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1Cl 409315067 MYFWGFUVKWDEDS-QGZVFWFLSA-N 455.967 4.676 50 40 JJGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409374726 XRVQAZLXTJAOGU-BOPFTXTBSA-N 469.457 4.561 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4ccccc34)c2C)cc1 2168767 SBHOPAOKIYVZNB-STBIYBPSSA-N 469.541 4.953 50 40 JJGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccc(Cl)cc4Cl)c(=O)c23)C1 6166332 YQDRQYSOTGZIKS-ZXDZQVQQSA-N 463.390 4.601 50 40 JJGB C#CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 8437747 ODHFPOQILAMQTK-UVHMKAGCSA-N 488.491 4.619 50 40 JJGB N#CCC(=O)N/N=c1\oc2cc(O)ccc2cc1-c1nc(-c2ccc(Br)cc2)cs1 9434990 CQAIIJYDPPGXSV-QOMWVZHYSA-N 481.331 4.537 50 40 JJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 13388005 JBZVOLYBHFIWKF-YRNVUSSQSA-N 451.074 4.665 50 40 JJGB CCC/C(C)=N/NC(=O)CNc1cc(Br)c(Br)cc1Br 15133409 YOVZWZYMMDBYNO-QGMBQPNBSA-N 470.003 4.678 50 40 JJGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1Cl 18284476 OVUNFTLZMLPDLY-QPJQQBGISA-N 454.657 4.556 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 20206929 NJKYDGUFUQNIES-OVVQPSECSA-N 487.984 4.832 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c(C(=O)OCC)c1C 35351639 NRNQPNKKNSDWRY-LDADJPATSA-N 469.559 4.916 50 40 JJGB O=C(N/N=C/c1ccccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95537654 LMUXOOLVYDZKCE-RSLIBCCBSA-N 482.196 4.581 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OC)c(OCC)c3)cc2c1 409187480 RAAYXJWZSCZYAR-FMCGGJTJSA-N 461.312 4.765 50 40 JJGB CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 9204594 ZKPMDHWAUVVNCI-WSDLNYQXSA-N 484.188 4.702 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 23217338 VWWQMKIPTZCJCG-OGTCDWKQSA-N 469.541 4.887 50 40 JJGB CCCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@]21C 254835258 FBRAWBYQGRLCEK-FISCPUKVSA-N 478.988 4.701 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 408881283 KMARDATYBBOXMI-XDHOZWIPSA-N 459.458 4.737 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 935153 XHMMGUGEXPRMTN-YZYPPFLQSA-N 452.750 4.558 50 40 JJGB Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c1 1055649 KXVBKJNADLJQJT-AFUMVMLFSA-N 467.319 4.506 50 40 JJGB O=C(CSc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1)Nc1ccc2ccccc2c1 3085323 LAZNRLOZZVAENW-AFUMVMLFSA-N 474.498 4.836 50 40 JJGB Cc1cc(SCC(=O)N/N=C2/C(=O)Nc3ccc(C(C)C)cc32)c(C)cc1Br 3273532 CTTQZCCZNKMYGC-UHFFFAOYSA-N 460.397 4.754 50 40 JJGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28213742 IATFJOUFEZKIQL-UVHMKAGCSA-N 485.968 4.880 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(=O)c1ccc(Br)cc1 30738408 FKEWUUMWKSNKTK-OYKKKHCWSA-N 487.375 4.821 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3OCc3ccccc3Cl)n[nH]2)cc1 30750499 YPDRUNZKFQNYLT-MBTHVWNTSA-N 488.931 4.860 50 40 JJGB CC(C)c1ccc([C@H](CNC(=O)NNC(=O)CCc2ccco2)N2CCc3sccc3C2)cc1 58278147 CPHOAELTKPWZJQ-QHCPKHFHSA-N 480.634 4.527 50 40 JJGB COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1 107978478 VYRICZMXRVQITM-PDGQHHTCSA-N 461.905 4.912 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)c(Cl)c1 408761537 GLXGXGPNGLSMAD-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408924274 MLEZWFMDZLSDGX-NBVRZTHBSA-N 496.516 4.546 50 40 JJGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Br 409138792 HZONTPLDCYVTGJ-QGZVFWFLSA-N 478.140 4.700 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)C(=O)NC1CCCC1 409188411 HIRVSBGTTZWUCS-ZDLGFXPLSA-N 469.335 4.692 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 8717775 QNLCERLHROCBNL-CIJMEZBMSA-N 475.339 4.578 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1 9693475 GPGGLQUSYDDZKE-QGZVFWFLSA-N 486.391 4.686 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(O)ccc4ccccc34)nc3ccccc3c2=O)cc1 13584358 XYYNAVPXTIXKRN-MWLSYYOVSA-N 494.576 4.795 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(C)cc1 20059245 MTWRNYKAQHLDCV-SZXQPVLSSA-N 463.603 4.732 50 40 JJGB COc1ccc(-c2n[nH]cc2/C=C(C#N)/C(O)=N/c2cc([N+](=O)[O-])ccc2Cl)cc1OC 20259230 CRXZBCNWNSAIAB-NTUHNPAUSA-N 453.842 4.851 50 40 JJGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 69009143 KUJAJIDUKMETMA-JCMHNJIXSA-N 462.509 4.915 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408608080 GKNKWMLBIHGUCE-XODNFHPESA-N 490.774 4.992 50 40 JJGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(F)cc1 408609911 SNDJWXIVIMYFDI-KRWDZBQOSA-N 483.927 4.563 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408611768 SDQFSXJDAPZKGP-LQKURTRISA-N 495.963 4.805 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccn3-c3ccc(N(C)C)cc3)oc12 408962575 ZKDLBASHAQDKFN-AFUMVMLFSA-N 481.350 4.825 50 40 JJGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408987494 OWSVYQQPSKPZNC-ZSOIEALJSA-N 463.715 4.508 50 40 JJGB N#CC1=C(N)Oc2c(c(=O)[nH]c3nc(Nc4ccccc4)sc23)[C@H]1c1ccc(Br)cc1 664183 SVLKARLCJUCLSL-HNNXBMFYSA-N 492.358 4.709 50 40 JJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 1105613 RCBNREDMDMIZGU-DHRITJCHSA-N 480.391 4.926 50 40 JJGB COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 11690314 OEDNAHUVGQSQNH-OAUQLRMZSA-N 497.620 4.789 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 33527500 HQAIRATZYCAGLM-NSKAYECMSA-N 485.447 4.507 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 33935405 KVSRAENVNJZLSH-WQRHYEAKSA-N 480.362 4.770 50 40 JJGB CCc1ccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108137346 DBTYWDHVAINBIA-RHANQZHGSA-N 491.657 4.824 50 40 JJGB CC/C(C)=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 408728665 RABUBTROGOHAMQ-LGUFXXKBSA-N 465.575 4.606 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408758773 QYUFNUCQTNOAPY-LDADJPATSA-N 482.945 4.970 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409175112 QAZCUIFQKYQAQM-WWINXXQNSA-N 461.949 4.731 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c(C)c1 409310484 VFPHOKBAGWFAGZ-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NNC(=S)Nc1ccccc1 1474739 OFPIMIXOXATTEG-UHFFFAOYSA-N 495.033 4.698 50 40 JJGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cccc5ccccc45)c(=O)c23)cc1 1784683 FQAGHZKZZOWRIN-XODNFHPESA-N 452.539 4.737 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Br)c2)cc1Br 20244003 YYSKDTBGFRPMRA-CIAFOILYSA-N 486.229 4.994 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC 409321553 IGNJDBCEYOODOT-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2c[nH]c3ccccc23)cc1OC 3242271 UBNWRQJXAJOXFV-WKULSOCRSA-N 465.513 4.802 50 40 JJGB CCCCCC[C@@H](C)NC(=O)CCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9850349 SRYMJTDUTZUBGL-CYBMUJFWSA-N 483.453 4.741 50 40 JJGB Cc1cccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)c1 12462753 LPSCPHKXMMCPBZ-HXUWFJFHSA-N 467.598 4.819 50 40 JJGB COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20170760 COSFFMOEOBYXQT-QHCPKHFHSA-N 498.004 4.597 50 40 JJGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4C)o2)C(C#N)=C(N)O3)cc1 22705447 IBWSYNZKAIZEHP-OAQYLSRUSA-N 469.457 4.780 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cn1 31844619 CPPCHVYKJTWPEH-DICXZTSXSA-N 456.458 4.637 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 34863748 UFVGIKQDWAXIMC-WYMPLXKRSA-N 493.501 4.898 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1F 207164709 SKONEVOTIGQKNN-SRZZPIQSSA-N 474.488 4.755 50 40 JJGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C#N 408546315 GKHGCNRJMYJZEV-CPNJWEJPSA-N 468.534 4.989 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Br)cc1 408963720 ALTCWYWUSFZZMO-UVHMKAGCSA-N 482.309 4.811 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3F)cc2)C2=C1CC(C)(C)CC2=O 409131042 JJJHFKHEWJUZTJ-VWLOTQADSA-N 475.564 4.787 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409309052 AMDFIVJQVRJUPG-QZTJIDSGSA-N 491.794 4.774 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OS(=O)(=O)c1ccccc1 2077068 WPJZPHAIRZITNB-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cccnc1Cl 18032377 QEDQZQUUTBOKAZ-XODNFHPESA-N 461.827 4.978 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 20211554 UYCHPPCETKWISZ-BUVRLJJBSA-N 470.422 4.619 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1Cl 35316327 PNVIVMRUEUGZSC-FQEVSTJZSA-N 457.317 4.831 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 59333096 PNFVDEMOJVLNPA-QNGOZBTKSA-N 488.975 4.702 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 59334021 GQDWJOXNXADZOP-AUWJEWJLSA-N 464.703 4.585 50 40 JJGB COc1nc(Oc2cccc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2)nc(N2CCCCC2)n1 408972299 AABCIQBBLJSLEM-NBVRZTHBSA-N 453.506 4.603 50 40 JJGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408975779 NGDGXDVVZATFAG-BXNHQAKUSA-N 456.329 4.720 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 409143632 MVVZDBAHWJQAIY-JOCHJYFZSA-N 467.928 4.797 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(F)cc2)o1 409156531 GELZMVGXVRGYIK-VATWTLTGSA-N 480.496 4.597 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)ccc1OC 409302820 KUUWQTBNYFMVMN-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccc(OC)c(OC)c1 1260467 LZKOBFAQXANWFD-BHGWPJFGSA-N 494.404 4.531 50 40 JJGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3063816 LYOITTCIBXMZCA-UHFFFAOYSA-N 490.791 4.740 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1C 3145974 PAPLPXJWDNVJSB-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB Cc1ccc(C[C@H](Cl)CNC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 9368726 DJDXXMINNUVEPJ-QFIPXVFZSA-N 468.022 4.533 50 40 JJGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9469922 GXFWIUAHRJHXCB-DSWHRGLISA-N 460.361 4.775 50 40 JJGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 33574765 PNQFYMUUXMOMPR-AQTBWJFISA-N 491.931 4.920 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1 58871403 IQOWPXASJNUHCS-AFUMVMLFSA-N 469.335 4.896 50 40 JJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2 107704372 NABZUQLQNUAYDO-WGARJPEWSA-N 461.547 4.507 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)cc1 107981963 UASHUPXFIZASLQ-VULFUBBASA-N 483.908 4.998 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)cc1 408760967 BHLHFIVZZYEAML-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408809810 JLJFHOABIBYVPN-XKZIYDEJSA-N 487.512 4.804 50 40 JJGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)cc1 408839815 WNHMWNPRRKQLJZ-TWKHWXDSSA-N 477.520 4.851 50 40 JJGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@@H](c2ccc(Br)cc2)CN1C(=O)CCl 1083103690 VMGCPAUOUIDHCW-HXOBKFHXSA-N 489.797 4.922 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 2054994 ZQHWIPXRYHYYEJ-OGLMXYFKSA-N 457.530 4.963 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 6078467 FVIMVCKPDSVXNW-VFIVCBTMSA-N 492.668 4.540 50 40 JJGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9122187 LIHGXXKOLJJAQS-GOSISDBHSA-N 453.365 4.991 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(OCCC)cc3O)c2)c(O)c1 12563885 SJMDYOYTGKSGFL-POAOKBCDSA-N 490.560 4.885 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)OCO2 14356794 ORLHASOLZXIJTD-STBIYBPSSA-N 463.493 4.883 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccco1 20029155 JABBUMJUGLLQLE-HSZRJFAPSA-N 463.559 4.694 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC 32576860 BRYSCEOLMYYHMT-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccc(OC)cc3)n2)c1C 32691299 UPHZKXLUEQTISC-XDHOZWIPSA-N 466.563 4.610 50 40 JJGB O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21 46084838 CXYPISBUUACSGM-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408979633 NNNFBIOJAKXKJY-WVWWYIFQSA-N 482.496 4.866 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409055450 IPSGVGBARMEIDB-WOJGMQOQSA-N 491.931 4.926 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409208184 BSRTWTYJTOUETF-ATVHPVEESA-N 460.446 4.735 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1Cl 409363617 MPFUSXSMCGSCCI-NTFVMDSBSA-N 480.948 4.782 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)CC1 1106539 GZXRTHHNMFHNDB-UHFFFAOYSA-N 481.968 4.833 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccc(Cl)cc2)cc1 1294350 FZURDEDNJJVXAV-DHRITJCHSA-N 481.965 4.740 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1 3092339 SAICFQUVDHMDEY-LSFURLLWSA-N 484.188 4.878 50 40 JJGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 6166403 JQCBRISWNGSMTB-PWNZSMLCSA-N 463.390 4.601 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 59418870 MEXXEFSXPNSWQI-JFLMPSFJSA-N 466.921 4.795 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccccc1 408892637 DFNLNAQOSXCFLW-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408973096 YSTPUYUQVSPGFY-GMSPJADCSA-N 497.636 4.633 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl 409050470 WDHBIMRIBQCSRO-JLHYYAGUSA-N 455.297 4.687 50 40 JJGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409255046 XPYLKMRXZBLYMT-YBEGLDIGSA-N 462.424 4.592 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1I 694378 KCWYBZLLXSUQOF-FSJBWODESA-N 470.266 4.963 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 2077261 ASEGMLHEBAQXDB-DHRITJCHSA-N 465.531 4.897 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(CC)c([N+](=O)[O-])c2)sc2c1CCCC2 3354756 BUGFPRDJQUWYPQ-WJDWOHSUSA-N 453.520 4.820 50 40 JJGB Cn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)o1 12520395 OZWNLRNZWZKQAU-UHFFFAOYSA-N 496.976 4.613 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2F)cc1 19816711 GXIBJDPEAPJMLW-JVWAILMASA-N 467.566 4.603 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444686 PKHJSJHRAABZSR-NDZAJKAJSA-N 479.536 4.933 50 40 JJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 408546698 NBPAGMXHSGTCDL-QGOAFFKASA-N 467.543 4.694 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O 408641282 CIBNDMWLRGIUCO-GOSISDBHSA-N 481.763 4.770 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408784078 SHRDJYPOBRXCBB-LGUFXXKBSA-N 469.994 4.660 50 40 JJGB Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408833239 SHHNYRBLUZMLTQ-HAHDFKILSA-N 491.613 4.719 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br 408894325 HNSSUQIDFZLGGR-ZVBGSRNCSA-N 490.579 4.793 50 40 JJGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408905079 STINLUYQYWDXPI-OYKKKHCWSA-N 456.340 4.662 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 408945022 WIRMSCFHTLTDMO-VULFUBBASA-N 490.412 4.643 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969490 OOFBQXVBMTUYKV-HYADQRRBSA-N 498.410 4.947 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccc(F)cc1 409311110 FHBGPCKWSXDCRD-AWEZNQCLSA-N 450.322 4.843 50 40 JJGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OC 409390911 GFDJHSCWYCALEL-MYYYXRDXSA-N 453.336 4.749 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C 409391063 HIDBRBNJLPCLGE-RWPZCVJISA-N 471.517 4.726 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 1757007 SIXHICXBSMVGMX-SSDVNMTOSA-N 478.803 4.623 50 40 JJGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 9581295 NXFJZRPIIMTORI-QYPVHMSXSA-N 462.727 4.642 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 12374556 JYSULVJSSQEDBI-WZUFQYTHSA-N 470.106 4.765 50 40 JJGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 19880335 UVXLEUKHZQFLNH-RWPZCVJISA-N 457.599 4.503 50 40 JJGB O=C(N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1cccs1 20522369 YREWIQAJQWFRGB-WCTVFOPTSA-N 480.593 4.889 50 40 JJGB O=C(CNc1ccccc1)N/N=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 33927543 FLPOONHAJDEUEV-DICXZTSXSA-N 457.515 4.856 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 34702606 OFJYUMXAAUCDPM-ZMFRSBBQSA-N 471.872 4.668 50 40 JJGB CCOc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1 34988307 BRBSDOTUWMNYSS-RGEXLXHISA-N 466.497 4.816 50 40 JJGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2cccc(Br)c2)[C@H]3CCC1 36489292 UKEZAPNEYDLMIN-DHNPSKQRSA-N 465.395 4.556 50 40 JJGB C[C@@H](CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)Nc1ccc(F)cc1 199414106 ROBDMPAGGYJFHF-LLVKDONJSA-N 493.379 4.679 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Br)cc1 408606954 RWIXJCCMKWDJJO-IBGZPJMESA-N 481.375 4.534 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 408607824 FAUMHQYRXSZWJG-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408885306 ZCDNCOIHBXFCHH-MTDXEUNCSA-N 497.592 4.659 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 409024891 IRXJUVQEMOJJFF-DHRITJCHSA-N 496.803 4.992 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409314836 HJJDZHQUDBISRZ-OAHLLOKOSA-N 462.358 4.713 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1cc(Cl)ccc1Cl 1107245 TYQRXPMROZUTKY-HXUWFJFHSA-N 457.317 4.831 50 40 JJGB CCCOc1c(Br)cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2799482 IMMGARSEAIMUFK-OXJNMPFZSA-N 467.367 4.840 50 40 JJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 4132395 PILWHHVYXQWFCZ-UFFVCSGVSA-N 454.162 4.979 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 13923632 ZKORWSPZWZYUSQ-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1F 34771257 YDRUZAXQBCKQEG-CPNJWEJPSA-N 459.477 4.706 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 96860880 DJTPGIPUNVHYPA-MIXAMLLLSA-N 482.540 4.697 50 40 JJGB Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)n2)cc1 98048291 CGIDGZXRBDKYTR-UHFFFAOYSA-N 498.457 4.839 50 40 JJGB C/C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C)nc2c1c(C)nn2C 103762717 PVGWUKAZPDUXAN-UQDPNORASA-N 472.431 4.815 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408609851 SEHYKJSCFIKCIU-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCc1ccccc1Cl 408611704 RSMGVNPJYROFBL-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 408911618 OFWHEGDUKXKROA-WYMPLXKRSA-N 454.324 4.627 50 40 JJGB C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409018452 VASJLCXGZLHGPL-RAQUAXEKSA-N 462.377 4.853 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 2271399 WKMGSCZSPMKGGU-LSHDLFTRSA-N 478.140 4.843 50 40 JJGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(Cl)cc1 12652785 VQPCOBOMQIKJAO-KOEQRZSOSA-N 455.967 4.912 50 40 JJGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3-n3cccc3)c3ccccc3C2=O)c(C)c1 33014565 WIJDWAYOEBBBGD-MOHJPFBDSA-N 476.536 4.557 50 40 JJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CI)CC[C@@]43C)[C@@H]1CCC2=O 118923407 MLUAUWXRNXTGCU-JBQOJDCNSA-N 456.364 4.865 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1 408592485 YNXPYNGXRNRKPV-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 408752939 DMXLEBOXBCLFKY-PGMHBOJBSA-N 455.514 4.957 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OC(C)C 408845331 MBHYQPRHFIPFBL-RIYZIHGNSA-N 480.277 4.772 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408879384 DCELLVFGBMSSCN-SFQUDFHCSA-N 468.918 4.662 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408884503 XKILMMDGTZEIHX-YBFXNURJSA-N 488.456 4.945 50 40 JJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(OC)c2o1 409246891 KSALEZISFUNAHL-AFUMVMLFSA-N 486.366 4.967 50 40 JJGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 2399754 WJOLDWQADMNGJK-PXLXIMEGSA-N 471.538 4.750 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC(=O)O 2414374 UZIBTFAAYDITBQ-LICLKQGHSA-N 485.334 4.585 50 40 JJGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 22708395 YOGDSJMPAKJCDQ-VEILYXNESA-N 472.570 4.736 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 408602370 DFESZEXGGWXISZ-IBGZPJMESA-N 479.964 4.814 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408607523 DMNJVUCLPNJMBM-XODNFHPESA-N 490.774 4.992 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(I)c1OC 408756889 UYHBEYUNKUJBEE-ZVBGSRNCSA-N 493.128 4.769 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1F 408788721 GEWIPWAGGCTFKQ-MFOYZWKCSA-N 461.331 4.997 50 40 JJGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 408827765 UVIMMBCLYMASMA-WJDWOHSUSA-N 489.475 4.631 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccc(C)cc1 408944576 MWMSTHGWLDQMQJ-DICXZTSXSA-N 457.486 4.531 50 40 JJGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409224131 KTPKRBBQWJGEKI-SFQUDFHCSA-N 476.876 4.811 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OCC 409328030 YFGRVSQTKWTPQQ-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 575627385 UDJQOKVZFMMKGS-HAZRNBFISA-N 484.976 4.716 50 40 JJGB in-vitro Cc1cc(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(Br)ccc2n1 8744545 PCBKIGAANUYUPC-FSJBWODESA-N 457.397 4.614 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(OCC)c2)C(C#N)=C(N)O3)cc1 9282264 TZMMVVXHYDHHKJ-GOSISDBHSA-N 497.349 4.560 50 40 JJGB O=C(COc1ccccc1Cl)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 9679126 HRWNRPRKFMLRQK-URGPHPNLSA-N 469.928 4.939 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 11689768 ZCLNRSLAYBJQDW-VQCBNXJZSA-N 454.548 4.612 50 40 JJGB COc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)cc1 12420521 CDZRIMKGDBHFRP-FQEVSTJZSA-N 483.597 4.519 50 40 JJGB COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 12628851 MEFXSPLEPDARGG-LQKURTRISA-N 475.501 4.503 50 40 JJGB COc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 20214295 YRJDTIYTEJASCM-UHFFFAOYSA-N 471.623 4.599 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 20558636 IJNLPUDVQMEWGM-DEOSSOPVSA-N 485.565 4.530 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408659638 WEEKUPVFOYVSGR-CXAGYDPISA-N 472.727 4.909 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 409025436 REBIRTJRFWPXSQ-NLRVBDNBSA-N 469.994 4.769 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 409027829 SWUUBIXSGSEVJR-WPWMEQJKSA-N 477.973 4.839 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409187073 LPIHRQZCBGERCM-QNGOZBTKSA-N 472.497 4.917 50 40 JJGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 409318768 YBHPXKKRHRBCCY-KRWDZBQOSA-N 488.382 4.916 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OCC 409333500 PRHUCWTVWXCENN-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@H](c2ccc(Br)cc2)CN1C(=O)CCl 1083103689 VMGCPAUOUIDHCW-GAJHUEQPSA-N 489.797 4.922 50 40 JJGB COC(=O)c1c(N2C(C)=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C2N)sc2c1CCCC2 721257 OIINQGQBVHQFQI-UHFFFAOYSA-N 465.419 4.942 50 40 JJGB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(Cl)cc4Cl)c(=O)c23)C1 6166333 YQDRQYSOTGZIKS-ZMTYNSLXSA-N 463.390 4.601 50 40 JJGB COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)c(C(=O)O)c1OC 13648262 VETUBKQBUDXXLN-UVHMKAGCSA-N 477.904 4.968 50 40 JJGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 19953306 OGEPSZFTWOOVDC-DHRITJCHSA-N 496.803 4.992 50 40 JJGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 20059606 XZEMZVLCETUWCW-DHRITJCHSA-N 496.803 4.992 50 40 JJGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 21946850 OEIUCEBIXYUCLP-CMTIAEDTSA-O 454.550 4.705 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c(OC)c1 33666005 GKMZROSVWAOHSE-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB CSc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 58919206 BUUGBCUFISMIQF-OTUOEDBFSA-N 461.612 4.947 50 40 JJGB O=C(NNc1cc(Br)ccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408608099 OLXVRYXFDKSIRC-QGZVFWFLSA-N 498.352 4.663 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408609828 LRCRGGCXWFUQOM-JVWAILMASA-N 463.921 4.573 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409142492 DGIHFQMEWPFQPH-JVWAILMASA-N 495.670 4.675 50 40 JJGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1)Nc1ccc(Cl)cc1 409272319 POPGIDWSTCRHAQ-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 943575 GCVCYTGUSTXRDO-LDADJPATSA-N 472.884 4.614 50 40 JJGB CCOC(=O)c1csc(N(NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(Cl)cc2)n1 1415201 GGXDIWCHFWKKTL-UHFFFAOYSA-N 458.927 4.665 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 8874970 XJSNWIJKWIAWPT-FSJBWODESA-N 488.294 4.692 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C(\C)c3ccc(C#N)cc3)c3ccccc3n2)cc(OC)c1OC 12312056 KHFJILRTKRNKCV-KBVAKVRCSA-N 480.524 4.953 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(C)c3ccccc3)c2C)cc1 13095544 PCWSRFHRIASKAF-RZMOPNSYSA-N 471.557 4.995 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)cc1 13174267 HQHHCNSXKXGDHA-NRFANRHFSA-N 451.573 4.558 50 40 JJGB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C(\C=O)c1nc2ccccc2o1 16293236 WEKQBSLGMXVGDI-SAPNQHFASA-N 463.515 4.598 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 20348470 MMDZKTZZGSISCY-XMMPIXPASA-N 494.016 4.815 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)c2ccccc12 408906706 DHQVQOZORSRKTJ-WBTXMKEXSA-N 461.562 4.826 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1O[C@@H](C)CC 408966875 NWUOVFAHRPPRDK-XIXVAHAYSA-N 462.319 4.800 50 40 JJGB COc1ccc(SCC(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409020708 SHTPCVRJIAECMU-DICXZTSXSA-N 477.586 4.572 50 40 JJGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1 409217297 BDLQDLHCZBPJHQ-WGARJPEWSA-N 467.909 4.901 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)n1 409244303 AWXINQCJYLISDC-GZIVZEMBSA-N 480.333 4.811 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409317411 PSGTUDMHMRVDPC-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 409326488 KWKUDNGFBUMEDX-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC=C)c(OC)c2)cc1OCC 409331672 FCWGVKHOJMQBJF-MYYYXRDXSA-N 489.366 4.750 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(Br)c3)c3ccccc32)o1 409392669 NDPMHSGMIZKNRP-BRJLIKDPSA-N 480.318 4.596 50 40 JJGB COc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 16712392 OSAPMROQUFKPEB-RHANQZHGSA-N 494.576 4.790 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 19952018 JVVFIYGWUKVRQW-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB N#CC1=C(N)OC2=C([C@@H]1c1ccccc1Cl)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558265 LPHUWQQYQYPMLA-JOCHJYFZSA-N 475.957 4.866 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 34880928 BKQLVENBLSIWLA-MUFRIFMGSA-N 471.488 4.769 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccncc1)[C@@H]2Br 100868565 XDVXLFQAMFXYPI-ONERCXAPSA-N 481.026 4.706 50 40 JJGB CCCCCCCCOc1ccc(/C=N/NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 102954727 OBIDFFDWFQCXRI-JFLMPSFJSA-N 451.489 4.757 50 40 JJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(I)o1 103846504 JKCBLVLCGVTXLS-KMKOMSMNSA-N 493.102 4.655 50 40 JJGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 107797168 NOPRLESIUWGXJT-DHRITJCHSA-N 476.514 4.768 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408786300 OTBGVQLFOGJSBH-CVKSISIWSA-N 469.994 4.611 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1 408794700 AXZYAHSOBIXIEH-GZTJUZNOSA-N 457.324 4.959 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c(Br)c1 409127631 DVCXDDWOZMDLPZ-LBPRGKRZSA-N 462.394 4.530 50 40 JJGB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409195512 QGEZQNJLIJLRKP-YPFRYUKGSA-N 460.603 4.716 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409309054 AMDFIVJQVRJUPG-ZWKOTPCHSA-N 491.794 4.774 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OCC 409317442 PZZRWDGBGGJCQJ-QRQIAZFYSA-N 476.529 4.915 50 40 JJGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 672490 KYTJAWDYHAHUTJ-VULFUBBASA-N 496.361 4.791 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O)c1ccccc1 3320134 QAFXRBFHJNHXTO-LLUUXILJSA-N 450.130 4.702 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20059707 VIPGAUCUNSPQAA-YZSQISJMSA-N 465.575 4.519 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1C 408833351 JLKACPSOOZEROL-ATVHPVEESA-N 469.950 4.574 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408859134 TWCFLVGXJQNOPC-GATIEOLUSA-N 460.317 4.628 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccs1 408863135 LOUKGZPTGWUNKH-MFKUBSTISA-N 481.521 4.503 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(I)c1 408898727 MQKFPVFBIWPXRA-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)c1 408965749 IHBUWSJUFNPJQD-WGARJPEWSA-N 498.377 4.562 50 40 JJGB Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)ccc1Br 409122907 CTXAHEWYXMNDBH-CYBMUJFWSA-N 462.394 4.530 50 40 JJGB COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 409147805 WHDPNHFTVVRZPP-LSFURLLWSA-N 457.335 4.531 50 40 JJGB N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 920414 SMNWRMZMVMLKIA-XSFVSMFZSA-N 483.499 4.811 50 40 JJGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1 2420317 ZYXBZHBZFOLKAB-HMMYKYKNSA-N 456.546 4.768 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1 2888110 LPZVTUPOBOINPZ-OEMBIGBOSA-N 457.313 4.830 50 40 JJGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 3644154 QNNXQLLLAWIZIM-CAPFRKAQSA-N 456.546 4.714 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1)c1cccc(Cl)c1Cl 19926521 DUVKFLFZAXDLPS-LGJNPRDNSA-N 494.375 4.863 50 40 JJGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)Nc3cc(Cl)ccc3Cl)cc(C3CC3)nc21 22711508 SCBGCIKDXTVWDO-UHFFFAOYSA-N 475.405 4.661 50 40 JJGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc(N)nc(Nc2ccccc2)n1 62637686 NBVSKICVFQRQBR-STZFKDTASA-N 471.528 4.568 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408947601 CQAQIWRTAIHEHJ-WQRHYEAKSA-N 480.362 4.770 50 40 JJGB COc1cccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c1OCc1ccc(C(=O)O)cc1 409190206 PUQYXCSFONVLLC-NUJZUDFISA-N 486.446 4.684 50 40 JJGB Cc1cc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Br)s2)C(C#N)=C(N)O3)n(C)n1 2789727 GHOWYANMUMOEGH-SFHVURJKSA-N 493.390 4.623 50 40 JJGB Cc1c(Br)cc(/C=N/NC(=O)CC2(C)SCCS2)cc1Br 8782906 DXUGIKKUXPVERU-CAOOACKPSA-N 452.237 4.556 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(Br)c1O 9540483 QNHZPURUDHRCAN-PQTFEYQYSA-N 472.364 4.650 50 40 JJGB COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1 9972745 BBRFJABDXOPWDQ-LDADJPATSA-N 491.931 4.920 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 13055134 XGFYGEIZVFMSKG-QHCPKHFHSA-N 498.004 4.980 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)c1 108244263 STZHKUIUPFWQMT-MZJWZYIUSA-N 491.345 4.622 50 40 JJGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408765527 YFNUFDSUWOMOLI-JYRVWZFOSA-N 464.113 4.683 50 40 JJGB Cc1ccc(COc2ccc(Br)cc2[C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 409138485 COMGUZQOQJHCKD-HXUWFJFHSA-N 451.324 4.586 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(O)c(Br)c2)ccc1OCc1ccccc1 409336285 RJEQQUVTBKKRDH-QFEZKATASA-N 469.335 4.896 50 40 JJGB Cc1cc(NC(=O)/C(C#N)=C/c2sc(N3CCOCC3)nc2-c2ccccc2)n(-c2ccccc2)n1 3296453 YIZRUPAGIPOUMO-HEHNFIMWSA-N 496.596 4.687 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1OC 3377897 DZMCQZVPQVAZNB-LFIBNONCSA-N 464.499 4.539 50 40 JJGB COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(I)cc2)N=C1C 8425499 QZDHYTUDOLLQJN-YBEGLDIGSA-N 490.326 4.591 50 40 JJGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNc3ccccc3)C2=O)cc1OC 8819964 WMMSZZKCYAHBPR-PGMHBOJBSA-N 485.631 4.609 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2Cl)[C@@H]2CN(Cc3ccccc3)CC=C12 8934193 OEUREKILIVGCPE-IFMALSPDSA-N 460.368 4.919 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 13301355 FIAYBLINBCVVHV-OAQYLSRUSA-N 450.951 4.536 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccs1 16712237 KTAVWMRDLFXJJW-OYKKKHCWSA-N 468.995 4.677 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N 20238325 ZZTWVMVMPCOEDL-KRWDZBQOSA-N 470.392 4.673 50 40 JJGB aggregator C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(Br)cc1 20240389 UWNYUMVLMQSSBV-VFCFBJKWSA-N 491.433 4.925 50 40 JJGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 59515881 HNSMFTOJRDZZNH-TURZUDJPSA-N 477.630 4.502 50 40 JJGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)N2C(=N1)SC(C#N)=C2N 408608063 UZMSLSDEVNPDLF-QFIPXVFZSA-N 460.559 4.602 50 40 JJGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408960621 HHLGFOJJSWVHIS-FSJBWODESA-N 488.294 4.831 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409131019 OVTAZBAFLAUVOH-NRFANRHFSA-N 496.317 4.751 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I 409245410 SHXXQLZOOFETOZ-PWDRBQJJSA-N 458.299 4.640 50 40 JJGB CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OCc1ccccc1Cl 1297182 KWRAWRSXEKTXRN-NRFANRHFSA-N 464.905 4.798 50 40 JJGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cncc(Br)c1 2328322 FMIARGCQQMNAFM-NFFVHWSESA-N 485.341 4.678 50 40 JJGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)c1 8566719 CRPYGGBNTACTLK-XMMPIXPASA-N 480.524 4.891 50 40 JJGB N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 13786959 KFJCFRJLRJJSTG-JQIJEIRASA-N 493.361 4.605 50 40 JJGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)ccc1Cl 16735795 VACFRJRMLFPMJB-NBVRZTHBSA-N 462.937 4.677 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 22637356 ZEIOFIQAXASWBI-ZSIOYMQPSA-N 481.383 4.981 50 40 JJGB CSc1ncc(Br)c(N/N=C\c2ccc(N(CCCl)CCCl)cc2)n1 104385424 NQYAVWUHACOHHW-FBHDLOMBSA-N 463.232 4.691 50 40 JJGB O=C(N/N=C\c1cc(Br)cc(Cl)c1O)c1cc2cc([N+](=O)[O-])ccc2s1 107745641 BKOCPAAYTHDHEM-GXHLCREISA-N 454.689 4.695 50 40 JJGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1O 408905083 SURBZNHYPRRNCQ-UKWGHVSLSA-N 471.149 4.780 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409045190 FOWRLEKEBCORTP-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 409124593 IHOVPFAWAXVACJ-OAQYLSRUSA-N 469.310 4.982 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC 409337304 TXCMQWBOCZAWTC-ZMFRSBBQSA-N 488.924 4.589 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 850130 OQUDIGQUKYNJGJ-FQEVSTJZSA-N 480.977 4.641 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1 27017161 MTWCYQLLNQMTGN-XQNSMLJCSA-N 463.541 4.946 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 408604858 IWLMGTHYAFWXEO-HXUWFJFHSA-N 477.536 4.608 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)CC2=O)cc1 408612877 ZDQMBGJFDLGXQF-FQEVSTJZSA-N 493.991 4.986 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cc(Cl)ccc2C)cc1 408769394 SUDXAAJRLYMUIG-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCC#N 408788563 LEGOPXHITNQAQA-LICLKQGHSA-N 454.324 4.913 50 40 JJGB CN(C)c1oc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1Br 408852791 NLYYOSJUSAQKRG-CGOBSMCZSA-N 469.550 4.597 50 40 JJGB C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(C(C)(C)C)cc1 408870527 GDHREYGBOLMEHT-NDZAJKAJSA-N 452.558 4.896 50 40 JJGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc21 409155579 LTOXARYDADWXML-VNNUCYRFSA-N 475.376 4.563 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 409365066 PUIVUILKPPWWGD-DICXZTSXSA-N 468.937 4.638 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OCc1ccccc1 10476115 VEQQSVWIBFNNAM-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 58924365 MBMNFEQGOAVPOJ-WGOQTCKBSA-N 473.957 4.599 50 40 JJGB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)/C(=N/NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 105203613 TYDIZZPWBSYUAN-BRIFVQKSSA-N 477.586 4.702 50 40 JJGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1 408758147 GYJFKUTUHAOONX-LFVJCYFKSA-N 468.534 4.831 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1)c1ccccc1 408979524 MOTXPLUFSBQHGX-WWUWQWKFSA-N 493.535 4.741 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409051824 GLNSWZNEYGYAQO-SSDVNMTOSA-N 484.721 4.590 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1Cl 409312914 AFORETDBIKITTD-INIZCTEOSA-N 455.967 4.676 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OCC 409318239 UKXXYZHXUZVOHO-VEILYXNESA-N 475.545 4.656 50 40 JJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)n1 409378405 PFLMJYMHGHWZNI-WOJGMQOQSA-N 470.314 4.759 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C)c2)cc1Br 8722710 NAEYECGEDQVMGG-SRZZPIQSSA-N 452.146 4.849 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c(F)c1 8816286 CLRYVQRLYCLSDW-RPPGKUMJSA-N 497.280 4.711 50 40 JJGB CCOc1ccc2ccccc2c1/C=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 15134180 REEVZRFKMJFRMA-DXJNIWACSA-N 465.553 4.637 50 40 JJGB C/C(=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 33685866 MPDMINWINCZHMS-LTEJVFSBSA-N 480.612 4.943 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 33705454 SXBAJHJBBIJANR-LGJNPRDNSA-N 484.325 4.890 50 40 JJGB C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333339 VZWQLBLFEQNZAZ-CLCOLTQESA-N 457.574 4.634 50 40 JJGB N#C/C(=C/c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12 408849858 ZZNYKBNZXNLOHP-HMAPJEAMSA-N 465.509 4.741 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408885874 GGHAMOOOPASHHU-QGOAFFKASA-N 482.945 4.970 50 40 JJGB COc1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 408886005 CPYQEEHZVZGSQP-SSDVNMTOSA-N 468.516 4.716 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 408889106 DQUIJRCUAXPKGX-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1 409052849 AXYJPELDHIOSET-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409227698 VAEAIPBSCLANGL-LQNQUEJISA-N 490.531 4.923 50 40 JJGB COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCCC2 714760 VUNVOXCDNIHULH-NRFANRHFSA-N 474.586 4.503 50 40 JJGB C#CCOc1ccc(Br)c(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 2098280 VZUPNXXYCNLTNL-JVWAILMASA-N 493.357 4.569 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 8861511 RWWRKYPCZFVQSR-VUTHCHCSSA-N 461.562 5.000 50 40 JJGB CCCC(=O)c1ccc2c(c1)OCCOCCOc1ccc(CCl)cc1OCCOCCO2 8892765 HUHTYLLISLBZGL-UHFFFAOYSA-N 478.969 4.670 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccccc1F 12555961 SODHXAMJCWRWRM-LICLKQGHSA-N 463.421 4.573 50 40 JJGB CCOc1cc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1O 30742684 USPVCURCGBKGFQ-YVNNLAQVSA-N 495.051 4.831 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 58900790 JIEBVSQRKUPNQN-WYMPLXKRSA-N 472.726 4.824 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 58913245 FMZWQRSIVCZMNU-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB CC(=O)OC1=C2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]2C(=O)OC(=O)[C@@H]2C1 72266821 SPDGZKJSOWGZIE-WHACFCQTSA-N 496.600 4.644 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1Cl 96663333 VDJIKFQXJCSMGD-ZROIWOOFSA-N 467.894 4.744 50 40 JJGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccc(I)c3)cc21 208455705 VTDRFWRBWULGEV-ZMOGYAJESA-N 473.358 4.995 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc2ccccc12 408879917 HVAVZXLTBOOFPB-JVWAILMASA-N 469.453 4.740 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409067686 QSEJBXVQPORMIM-LGMDPLHJSA-N 468.918 4.662 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409141538 AAYYBPNNHWUSMS-KVSWJAHQSA-N 460.921 4.634 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 409200065 GLYWXAURUVTXSE-DHRITJCHSA-N 454.935 4.860 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1Cl 409327164 QMDPISBTFFAJJP-INIZCTEOSA-N 455.967 4.676 50 40 JJGB Cc1cc(C(=O)N/N=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 3298940 HFTYDUMNBOXGMY-JFLMPSFJSA-N 472.530 4.707 50 40 JJGB Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)n1 8411267 JMLBJILHNAAQLL-SFHVURJKSA-N 482.491 4.823 50 40 JJGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc2ncccc2c1 9090838 VTUJXRQOISXHCV-KGENOOAVSA-N 465.513 4.845 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(OCC)cc2)cc1 12562975 LXVASRNAAYXHTH-ZXVVBBHZSA-N 495.601 4.829 50 40 JJGB O=C(NNC1=C(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC1)c1cccc(Br)c1 13764005 ZJGQPLORDQIGFT-UHFFFAOYSA-N 477.174 4.524 50 40 JJGB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 17157680 OKMLYHFPIVSELA-KBTRNUBCSA-N 480.436 4.502 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCCc3nc4ccccc4s3)cc2)n1 22061120 MIPXMWZPDPBYKF-UHFFFAOYSA-N 491.642 4.779 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 40161165 AXWYELCSWYIKDU-QNGOZBTKSA-N 456.498 4.901 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1OC 58177699 VFDOASQVPSAECP-IUXPMGMMSA-N 459.329 4.595 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(C(=O)O)c1 59302972 LZOONNNQHUAJCA-LQKURTRISA-N 454.482 4.890 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 207906719 VMWZRHIYVMNCAW-AQTBWJFISA-N 491.931 4.920 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)OC 408792312 APKBKYSZVNAMPT-VGOFMYFVSA-N 493.741 4.599 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408806065 ACGDFKIJHLPSFR-FNLSEGDXSA-N 456.498 4.787 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1 408970819 KTEBJJQIMFARIJ-GEVKIBKFSA-N 488.371 4.540 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccccc3Br)c2)cc1C 409015660 RSRPRGPASHJTPY-VULFUBBASA-N 480.362 4.847 50 40 JJGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nnc3n2CCCCC3)cc1OC 12600552 ADBZBGBMAISRDK-HMMYKYKNSA-N 466.545 4.939 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccc(Br)cc1 14134728 RIQLAYQSLPWOCK-AFUMVMLFSA-N 469.335 4.896 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)o2)c(C(=O)OCC)c1C 408546982 PWXOVMIXXFNCAE-FOWTUZBSSA-N 472.563 4.568 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 408756230 YGJPEJKBJAGGDA-ZHZULCJRSA-N 460.511 4.511 50 40 JJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Br 408806372 MUGIIMMXWPNCKD-WUXMJOGZSA-N 451.704 4.674 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 408881965 PHORGRZOUWZCSH-XMHGGMMESA-N 477.498 4.525 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408967553 UBXILVQOLWJDNH-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 408979113 LKJWWYKYODLOBG-PKNRUHJYSA-N 490.516 4.501 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br 409248003 JHPCWGUEZXFHPB-VYYCAZPPSA-N 466.310 4.732 50 40 JJGB CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(COc3ccccc3Cl)c1)C(C#N)=C(N)O2 622905 YEXKZHFZOVPNBN-OAQYLSRUSA-N 450.926 4.821 50 40 JJGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCCO4)cc2)cc1 2298703 VJESUVDJYIZFAO-OGLMXYFKSA-N 458.514 4.738 50 40 JJGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(I)cc1 16269001 QIQXDPYDSNWKBS-RCCKNPSSSA-N 452.361 4.682 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 19948916 BGFANWGXEIWDRY-VULFUBBASA-N 490.412 4.956 50 40 JJGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(O)(c1ccccc1)c1ccccc1 408747387 NEIHXNSTYSLKJJ-CEUNXORHSA-N 481.508 4.560 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1F 408960424 FRTBTMGWOLULIC-LGJNPRDNSA-N 463.421 4.832 50 40 JJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 409225974 RWUTUDRJTXBUEG-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)c(C)c1 1410707 GCSWRPZSDNACHD-AWNIVKPZSA-N 497.130 4.922 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)c1 3275088 UUOSQNINNLBMMK-OGLMXYFKSA-N 459.594 4.742 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 15225927 FAXRIZWWUXYYEA-HAHDFKILSA-N 465.509 4.711 50 40 JJGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 16478319 FSMURXLBFTVLOR-FEYQCKCBSA-N 484.987 4.809 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2C)cc1 20059996 BYQKULQFGWWEBG-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCC2)=C(C#N)[C@@H]1c1cccs1 20348246 KHLDFQURATUGCE-JOCHJYFZSA-N 493.654 4.936 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1C#N 35213644 YTDKXZXOBMSOPW-UUYOSTAYSA-N 467.481 4.780 50 40 JJGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)cc1 408608482 WPQGGXUWXFSNBU-HSZRJFAPSA-N 473.602 4.519 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 408763613 JBAMSUVETBHZIK-RWPZCVJISA-N 485.500 4.962 50 40 JJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC#N 408842547 ARICBTDMMNSUKB-MXAYSNPKSA-N 468.307 4.599 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OC 408855201 DFYJSMSTQBSGJL-YVLHZVERSA-N 468.351 4.604 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(F)cc1 409126610 LOWSHZCAEKTTOG-NRFANRHFSA-N 454.885 4.881 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C2=C1CCCC2=O 409145473 QXXSGNVRZBKKAA-JOCHJYFZSA-N 482.353 4.897 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(C)c1 622998 NXIQJGJLAFEYHE-HXUWFJFHSA-N 481.350 4.595 50 40 JJGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl 2310564 FOBUQBFXWHFLJS-OALUTQOASA-N 490.368 4.943 50 40 JJGB CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O 9693250 XIQAEAAASKZZLT-KRWDZBQOSA-N 486.391 4.773 50 40 JJGB CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 16182259 YKGUXXLDFHVVCT-UHFFFAOYSA-N 476.583 4.771 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)c1ccccc1 18173173 BKJLKZLITOERKI-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20131966 YWRKQSMAJURKBY-DEOSSOPVSA-N 469.566 4.830 50 40 JJGB C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 20352688 PVMRHPPZBIRVQP-SSGLAOATSA-N 450.926 4.603 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558622 LRUFPPIZZQZOJF-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccccc1 38534892 PWHPHVUZXVNBGR-KTYMSIKWSA-N 497.554 4.653 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59249692 KCCREMYGNPSHNF-LSCVHKIXSA-N 463.877 4.690 50 40 JJGB COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 95537655 PWKRKIAEFALNJF-FMSSBYAVSA-N 496.223 4.884 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OCC 408591955 WTBUYKYAHYKIIV-SRZZPIQSSA-N 472.710 4.506 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1ccc(Br)cc1 408858545 QBHIUBTUUMNPPW-UUYOSTAYSA-N 477.156 4.531 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409021173 YOYCMAZIIFADSV-RWPZCVJISA-N 495.963 4.594 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccccc1 409065874 NWVUMUSJUZSFGE-LDADJPATSA-N 487.364 4.984 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)c1 409070445 XQLSGCUIBLJFRH-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409126818 GCNLJOMNCLYKED-QFIPXVFZSA-N 479.876 4.760 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 409137963 ZZSBWWKBUNMPQQ-JOCHJYFZSA-N 467.928 4.797 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 409138550 DNNJWLORDGXYEI-QHCPKHFHSA-N 494.389 4.767 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccc(Br)cc1 661050 PPONYDQKCWMCKR-OAQYLSRUSA-N 451.320 4.843 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)cc1 3050729 YWCLZHMHKAFQGD-WYMPLXKRSA-N 496.247 4.928 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2F)[C@H]2CN(Cc3ccccc3)CC=C12 8411315 WIDKRPLOYROFNZ-JTHBVZDNSA-N 488.364 4.514 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2oc(C)c(C)c2C#N)c1C 8812724 JMWDOAWJITZVDG-OPEKNORGSA-N 469.339 4.711 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9014920 MVPDLKDVDKEOBL-QHCPKHFHSA-N 469.566 4.976 50 40 JJGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)cc1 408608484 WPQGGXUWXFSNBU-QHCPKHFHSA-N 473.602 4.519 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccc(F)cc1 408610569 OHHDCEASPWBZGS-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 408898498 WJFHSNJXYYYJRO-RCCKNPSSSA-N 470.481 4.637 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 408922525 FCGXUTMLIYNNDE-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408984696 SOVBGDSNSXRZMK-CHHVJCJISA-N 463.317 4.798 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409007611 YFVPJOBVNOGHTC-RDRPBHBLSA-N 475.976 4.922 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F 409027801 HNWVLEPBEZOXSO-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(F)cc1 409197659 LNALHSBMUDTQJQ-MZJWZYIUSA-N 493.516 4.827 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1 16409558 QMODTRBJBXDYFJ-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)CN3CCN(Cc4ccccc4Cl)CC3)ccc21 20066072 JPVNNJHJXVEPGD-UXHLAJHPSA-N 488.035 4.736 50 40 JJGB CCCCOc1ccc(-c2cc(C(=O)NN=C3CCN(C(C)=O)CC3)c3ccccc3n2)cc1 20594808 GUTIYSPJIYWZMN-UHFFFAOYSA-N 458.562 4.809 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Br)c1OCc1ccccc1 28605471 SAJVSSRSWPLLAP-VCHYOVAHSA-N 467.319 4.853 50 40 JJGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1Cl 38688623 DMMNMWDZYMZCJL-XMMPIXPASA-N 492.915 4.803 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 59445061 VQBTVYIQNQOQKJ-BRJLIKDPSA-N 483.318 4.529 50 40 JJGB CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 118913360 FBRAWBYQGRLCEK-WAQYWSKUSA-N 478.988 4.701 50 40 JJGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408608452 HLRRPGNWYPGHPJ-MUFRIFMGSA-N 477.536 4.627 50 40 JJGB COc1cc(C(=O)N/N=C/c2ccc(-c3cccc(C(C)=O)c3)o2)ccc1I 408747588 PXNISSDIJRVPPO-FSJBWODESA-N 488.281 4.526 50 40 JJGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408779106 RHWYFMSRFDLYFT-CXWNSHNOSA-N 461.587 4.574 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 408869967 UGZKVQXCTGTXSX-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1OCC 409006482 OBSAXHGQRGLXHF-WPWMEQJKSA-N 471.985 4.530 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 409049071 VVGPLKUXIATGOO-SFQUDFHCSA-N 492.329 4.718 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1C(=O)O 409202324 RPUJDIOYNLBZMO-GATIEOLUSA-N 460.317 4.628 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 409239662 IDDQDKWBUNFQLV-MUXKCCDJSA-N 462.912 4.765 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc(F)cc1 409241317 RCAZYCDEBIUQMY-MWLSYYOVSA-N 450.485 4.974 50 40 JJGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccc(I)cc3)c2)cc1 409262223 FVXKJCBSUSTQFU-VULFUBBASA-N 499.352 4.741 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCCC)cc1OCC 409309271 DRWODDMOPGBOCW-IWIPYMOSSA-N 461.356 4.965 50 40 JJGB N#C/C(=C/c1cc(I)c(O)c(I)c1)c1cccc(F)c1 409393297 PSVVOCUYHJSGMF-WCIBSUBMSA-N 491.041 4.805 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@H]2c2cccnc2)NC(=O)c2c1sc1c2CCCC1 708336 UIFSFZKRZBZMBE-HXUWFJFHSA-N 456.571 4.747 50 40 JJGB Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 977457 JFEJEESRKOQKSS-CCVNUDIWSA-N 455.449 4.681 50 40 JJGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 16682910 CMWYXIFBHGSYDZ-GDNBJRDFSA-N 452.308 4.513 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(C)cc1 59334695 QVXATAKUCJNEJK-ZDLGFXPLSA-N 490.341 4.573 50 40 JJGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1 408961932 VRCNEJLKMFYGCW-SSDVNMTOSA-N 481.188 4.590 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2)cc1 408980716 SPDISMRHEDOBMC-QTPRHWQCSA-N 463.603 4.678 50 40 JJGB Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409193532 FKWWRNIDSMVXFU-PXLXIMEGSA-N 479.536 4.981 50 40 JJGB N#C/C(=C\N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1 1637358 FZLJHFNLNQKFRB-NMCPTZMASA-N 450.526 4.970 50 40 JJGB COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1 2121878 ODXYRKIITXOYQZ-OKCVXOCRSA-N 495.023 4.654 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(I)cc2)o1 10118428 CJTPEBJXTCTPIU-SRZZPIQSSA-N 475.242 4.532 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19951945 XIHJGLSYQVIUAC-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C(=O)O)o1 33408869 KSJDACLFSLLISH-OPEKNORGSA-N 468.849 4.729 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408820695 YEKXORPYCQIIGY-XNTDXEJSSA-N 482.290 4.849 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408847247 QGQXCBIGXWGGLY-XODNFHPESA-N 476.920 4.523 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1O[C@@H](C)CC 409024512 ZVYPBEFAWXAZMD-FKSSYULRSA-N 455.942 4.993 50 40 JJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1 409235614 CMCRSFUYYDPFSO-XYGWBWBKSA-N 455.558 4.845 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 863816 OXTPHEUIAYUQLU-VEILYXNESA-N 472.570 4.642 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(OC)c1OC 3145937 DLVULHGJZIGXDH-JFLMPSFJSA-N 456.583 4.955 50 40 JJGB CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C(C#N)=C/c1ccc(OC)cc1)c1ccccc1 3245700 IIDAHTOAZUJDNH-RUYOUXBXSA-N 456.498 4.924 50 40 JJGB C[C@H]1CCc2sc(C(=O)N/N=C/c3sc(N4CCOCC4)nc3-c3ccccc3)cc2C1 3431502 WJPDJBLZBGVLFC-JZCUADNKSA-N 466.632 4.597 50 40 JJGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(I)cc1 20248799 NUPUYAJQSJGBIE-UDWIEESQSA-N 458.752 4.967 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(C)=O 408752046 FOLJNHPJOUKRGC-QPEQYQDCSA-N 494.139 4.691 50 40 JJGB O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1cccs1 408996925 FLYXOADSDCVBIP-MTJSOVHGSA-N 462.312 4.696 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OS(=O)(=O)c1ccccc1 409063983 BAEWHVTZMTVGNO-LTGZKZEYSA-N 474.538 4.737 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)cc1 409186934 JVJUMHJVPUFTTH-AFLBDFNESA-N 450.546 4.701 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)c1 409263166 ASBVLHFPWKRXDS-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 8780746 JOSRIOPTBKOEED-YZSQISJMSA-N 471.443 4.658 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 9185262 VDBWEWBQECUGHG-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C)s3)n2-c2ccccc2)cc1OC 9196408 ALWMRUFUSKOEGY-QFEZKATASA-N 493.614 4.564 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 16976315 NMNCZBAGIVVUHI-JOCHJYFZSA-N 463.921 4.533 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OCC 26123411 RNRUSCZGSOYFQG-SRZZPIQSSA-N 470.161 4.773 50 40 JJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 409223055 GCOXTFLRTOHQFA-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 409224317 KFTJAUWQSIGLRR-ZMFRSBBQSA-N 457.364 4.597 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 409225037 NCVRNDKKQQVNIZ-YYKDSVGLSA-N 479.876 4.640 50 40 JJGB N#C/C(=C\C1=C(Br)[C@@H](O)[C@H](Br)C=C1Br)c1nc2ccccc2[nH]1 409337284 ZBKBWLMMWRZCMZ-UHWNONIISA-N 499.988 4.536 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1OC 2253534 ALCIPBOWGZEBPT-QFIPXVFZSA-N 480.524 4.783 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3031724 MYAVIQUVPPEXPO-WJQBCWGLSA-N 481.383 4.981 50 40 JJGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 6134797 RQAQONBVYCYRDY-QUCVJYLXSA-N 486.572 4.773 50 40 JJGB Cc1csc([C@H]2C(=O)NC(S[C@H](C)C(=O)NC3CCCCCC3)=C(C#N)C23CCCC3)n1 17011891 IVGQIMCIHQIGLR-VQIMIIECSA-N 472.680 4.921 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 20206887 PNXQNTNKZBGUSA-JJIBRWJFSA-N 476.023 4.754 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 21127628 PCJIYPBYPDWSQC-ADFUCPMPSA-N 458.902 4.554 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33634696 ICFULICNAWYJJA-SSDVNMTOSA-N 490.335 4.909 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 408587450 FZTCXJWZVTZOHC-FSJBWODESA-N 455.312 4.837 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 408775302 SAXJRHNPNDMBLL-APSNUPSMSA-N 477.742 4.811 50 40 JJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408788018 CGWUEVNACCFRIZ-MOTOFYQMSA-N 451.515 4.515 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)OC 408981873 DFKQOKOQZPDEQC-CHHVJCJISA-N 463.317 4.798 50 40 JJGB Cc1ccccc1-n1nc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)c(C)c(C#N)c1=O 409056082 MFJJPZZSFGRYRR-LJUMEUDFSA-N 471.520 4.791 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409258977 WISMJVFTFUPZQS-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409311697 HDWOHQYNTXTDBK-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2nc(Cl)ncc2F)c(OC)c1 2311271 SIJUZMNLLUPJEA-NTEUORMPSA-N 454.845 4.624 50 40 JJGB Cc1cc(NCC(=O)NN=Cc2ccccc2OCc2ccccc2)ccc1I 8742359 UPXKGFMXFZJRIC-UHFFFAOYSA-N 499.352 4.741 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC 8843163 PMYJORXJTKETID-JXXQQCOQSA-N 489.597 4.632 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 9076388 LPKMHLUULNZTRZ-VWLOTQADSA-N 484.581 4.664 50 40 JJGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(C)cc3Cl)c2)cc(OC)c1OC 10060132 MLTXQOLSNKJOAU-MZJWZYIUSA-N 482.920 4.657 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 16758863 BWSQBZKDSOLISK-FBKQIBBUSA-N 475.339 4.578 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc(C(=O)O)c1 33629386 FIOOHGDTPKMIAV-MUFRIFMGSA-N 484.508 4.898 50 40 JJGB CC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 408832964 RBHQGBVZGSNRDA-BRJLIKDPSA-N 494.400 4.756 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408859082 WCJGPWGLKYFXDR-ZRGSRPPYSA-N 473.312 4.800 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408900634 XBBLEFQAKWQBPA-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408981998 XDIBCDAYDNHIMD-WVWWYIFQSA-N 482.496 4.866 50 40 JJGB COc1cc(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1C(C)C 409018279 UJGHSUDTTYMYKZ-SGYITJBJSA-N 488.028 4.840 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409087393 CIBLSNGVXGCPFS-BOPFTXTBSA-N 488.412 4.628 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409146463 TUDCONJWJLFHII-OGLMXYFKSA-N 477.630 4.515 50 40 JJGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1 409199012 AWFSNAFGILUDAF-RQZCQDPDSA-N 477.298 4.657 50 40 JJGB O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 409218840 HNYMXCSFDIXINM-QLBSNTPRSA-N 494.301 4.740 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1Cl 13839136 LLDXMTLHBXXBHB-LQKURTRISA-N 496.947 4.668 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1CSc1nc(C)cc(C(F)F)n1 20353466 ROUZUWJGFROQNK-OPEKNORGSA-N 487.488 4.696 50 40 JJGB COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2)cc1 35375167 CDXQCJFAYMPWKX-KGENOOAVSA-N 455.514 4.875 50 40 JJGB C[C@H]1[C@@H](C)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1 104127961 MZDDUYSKIYIHCU-QRQCMCJISA-N 459.311 4.874 50 40 JJGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 408854456 GCNRAAOGGGBITI-UVTDQMKNSA-N 476.341 4.611 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1sc2c(c1C#N)CCCC2 408998032 PZWJQLQPAGPJHW-MNDYBZJGSA-N 483.597 4.983 50 40 JJGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 1245346 BSGYALKEPXFPGI-QHCPKHFHSA-N 496.658 4.693 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 8722148 PNGJYHZJNKODQM-RQZCQDPDSA-N 467.865 4.652 50 40 JJGB CCCCCCn1c(O)c(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccccc21 9044945 ZGZQAFZLICHFGU-MFKUBSTISA-N 470.367 4.814 50 40 JJGB N#C/C(=C/c1ccccc1OCc1cccc(C(=O)O)c1)C(=O)NCCc1c[nH]c2ccccc12 9322154 VTNDPSJPOVDSTP-HAHDFKILSA-N 465.509 4.711 50 40 JJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c(OC)c1 9693357 RVHRCYLXVXEIEJ-SFHVURJKSA-N 486.391 4.686 50 40 JJGB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)CSCc1ccccc1 18191878 MCLIIXBYAAYFNR-UHFFFAOYSA-N 450.347 4.651 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19949094 MMZMXOPGHNDNHE-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(Br)c(Br)c1O 30817655 JGIGESRVOACUPH-ZBKNUEDVSA-N 476.552 4.733 50 40 JJGB COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1Cl 408780294 ARGHYNPARXCFSX-UHFFFAOYSA-N 472.051 4.892 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)cc1 408791313 VZBYSXGJYVCLGJ-NTUHNPAUSA-N 494.139 4.552 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(C)c(C)c2)cc1 408856570 CNBLNBHNNAZNDF-OGLMXYFKSA-N 493.629 4.745 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 19948304 KWUMXIYRABCAEE-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(=O)OC)=C(C)N1 20348631 OTSYPYZCYKTGLC-QHCPKHFHSA-N 465.550 4.629 50 40 JJGB N#C/C(=C\c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 20479457 PHRSAQICADVNOO-RQZCQDPDSA-N 454.313 4.795 50 40 JJGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)[C@H](Br)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118927112 BJQVYOSLJSLGJU-QBYCOYFDSA-N 453.417 4.718 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408598508 BTPJGGCHUCFRDB-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 408864223 ULEMUVOWSWBXIJ-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC 408868667 NIUCBVWMONVYNV-LDADJPATSA-N 453.336 4.968 50 40 JJGB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NN(c1ccccc1)c1ccccc1 408999887 STRJAXQLRXVIIW-HYBUGGRVSA-N 451.592 4.558 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 409139983 CHFMFAVVJSCJEN-QHCPKHFHSA-N 494.389 4.767 50 40 JJGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409225946 UEOVWWLJHOLNMW-MBTHVWNTSA-N 493.947 4.926 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1 659202 IJZIJSJMYAXTHE-VWLOTQADSA-N 487.556 4.554 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)O 2943065 FVCNRIOTQLJZIV-AWNIVKPZSA-N 479.714 4.510 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1F 3248454 UYJPRGXXNGXSFW-NRFANRHFSA-N 471.941 4.720 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 9144511 XKJGNBCZZLVHMR-AFUMVMLFSA-N 455.283 4.500 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1Cl 16712645 SQSDSMOXINJCJW-QUYTYNJFSA-N 476.964 4.794 50 40 JJGB CCCOc1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27224950 DVIQFHVYYXDHAK-NAKRPHOHSA-N 493.611 4.800 50 40 JJGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccccc1 96836110 PWHPHVUZXVNBGR-RMGXVABMSA-N 497.554 4.653 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 408747775 SUOIJXCGZUGSEX-PKAZHMFMSA-N 455.470 4.549 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccccc2)cc1 408890865 HQGRDAUTXINQBJ-CJLVFECKSA-N 456.498 4.997 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc2c(c1)OCO2 408914107 SWLHUIYFNSHWTO-UVHMKAGCSA-N 482.920 4.576 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1)c1ccccc1 408979523 MOTXPLUFSBQHGX-BGEOKWEGSA-N 493.535 4.741 50 40 JJGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409032441 IZEMNPFEKNVIBV-QRQIAZFYSA-N 453.498 4.608 50 40 JJGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Br 409128698 KQMHJCKRCRRFLW-QGZVFWFLSA-N 493.199 4.506 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409130943 IWHGECFEBMIFKZ-XMMPIXPASA-N 488.975 4.919 50 40 JJGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)C(C)C)c1 409153657 DRPGSXHWFSKMGL-XMJXUFPISA-N 489.572 4.725 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)ccc1OCc1ccccc1 409305826 XNCDZUQMRFEYJJ-WGARJPEWSA-N 499.361 4.905 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC 409313817 DHLHBVLIKADOFP-MYYYXRDXSA-N 494.460 4.857 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1 659204 IJZIJSJMYAXTHE-RUZDIDTESA-N 487.556 4.554 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)s1 2210796 MGAISHSWQGJRPK-DHRITJCHSA-N 494.667 4.938 50 40 JJGB CC(C)(C)c1ccc(C(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc1 8781421 IGIGJQOHQDIIJH-UHFFFAOYSA-N 479.172 4.595 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccccc2C#N)c1 8812875 CRLSFWHXUZJGOJ-VULFUBBASA-N 464.319 4.672 50 40 JJGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC(C)=O 9332682 XZONJSNIWOWDBC-APSNUPSMSA-N 451.460 4.725 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccs1 9614408 PHVYNBQXOBCFKZ-AFUMVMLFSA-N 452.532 4.512 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)COc1ccc(C)cc1Br 13899580 HRWPPWCYRUOSQD-ZVHZXABRSA-N 466.763 4.619 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 20059509 CQTDGGSJHHAXHT-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 28215225 CLWBKCVZOWGSEE-VULFUBBASA-N 467.978 4.908 50 40 JJGB Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33663641 AMXVNVBMCKSVDP-QFEZKATASA-N 482.334 4.938 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c(Cl)c1 59447340 RLCMDFYOBSRCMA-KPSZGOFPSA-N 466.944 4.988 50 40 JJGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c2C)c1 106953433 YZYWYAXDIWKCNH-WKULSOCRSA-N 450.542 4.975 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408726304 RVRSVQRBIDEQEY-YBEGLDIGSA-N 474.298 4.719 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 408807010 NWEKGZHCNYCIKP-RIFMQKGSSA-N 453.542 4.727 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1Cl 408996120 OEWKGGNFTQEQAK-RPPGKUMJSA-N 474.344 4.717 50 40 JJGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)o2)cc1 409021386 FCROUJGKAXYIHD-AUEPDCJTSA-N 489.123 4.813 50 40 JJGB CNC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br 409080635 MAUASIAZMGEAJX-MLPAPPSSSA-N 470.150 4.996 50 40 JJGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1 2077170 JMKADEVLJWOOBL-LGJNPRDNSA-N 473.312 4.994 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 2080877 FDOYMJPWGWWJSV-FYHAJLKWSA-N 451.320 4.532 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3F)nc12 2367996 MVKCTRWGFMXBPS-QGOAFFKASA-N 495.919 4.926 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OCC)c1 4290893 DZFBYQBSEADUID-IKVNRTJKSA-N 465.502 4.581 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccs3)n2-c2ccc(OC)cc2)cc1 9763737 RWYXNJYWHRQHTL-PCLIKHOPSA-N 493.614 4.646 50 40 JJGB O=C(NNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)c1ccc(Cl)cc1 25777627 VTDAJGGWRGOFCW-UHFFFAOYSA-N 479.993 4.601 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408742543 ASOJZVVZHLJBLR-WJDWOHSUSA-N 457.324 4.967 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)c1 408743798 HMGAHHMXPYEBBK-MLPAPPSSSA-N 494.139 4.529 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(Cl)cc2)cc1 408775573 ITHVLRBJJOFGOB-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccccc1C(F)(F)F 408783122 KHMYNUJOPRUHBX-YXSASFKJSA-N 466.051 4.700 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2F)cc1 408898092 ULLFFVWARMKAPA-DEDYPNTBSA-N 460.461 4.746 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408898511 LYYLPXXNPQMQLJ-VULFUBBASA-N 483.908 4.755 50 40 JJGB C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409018447 VASJLCXGZLHGPL-MOYYISEASA-N 462.377 4.853 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cccc(C)c2C)cc1 409028718 QUXDMHCCOFPPBR-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccc(F)cc1 409141731 WNSJZPJNOCHGJM-JOCHJYFZSA-N 452.869 4.990 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409267468 VBWYWOTVPJLOKN-KGENOOAVSA-N 485.540 4.971 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934949 SMUCCMMTSQSZNN-NLTRVXJZSA-N 498.564 4.646 50 40 JJGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2O)cc1 1059057 FMNUGESGGRQWJO-VUTHCHCSSA-N 499.592 4.860 50 40 JJGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 2310290 XHMBNPWOWMWRPZ-WOJBJXKFSA-N 469.950 4.680 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(Br)cc1 2448097 JCFJTAGTPWKZOO-ZMOGYAJESA-N 480.391 4.640 50 40 JJGB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2)c1ccccc1 3278129 QPQALJDTIXGDDW-VGNXUAKHSA-N 470.481 4.563 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)cc1 8812774 QVVJGOFGIGVDDA-VULFUBBASA-N 498.377 4.806 50 40 JJGB C[C@@H](/C=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)Cc1ccc2c(c1)OCO2 9849616 LDOJPQAVPOLDLX-CLCAUBNZSA-N 457.530 4.841 50 40 JJGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275474 AGDSSCLYPTXOQF-BWKNWUBXSA-N 450.560 4.516 50 40 JJGB CCCOc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851789 DVIQFHVYYXDHAK-LBNVMWSVSA-N 493.611 4.800 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 33499316 YCGICPMEYZYAJI-XMHGGMMESA-N 459.477 4.788 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 59377119 KVGQIIIVBNKNHZ-YZSQISJMSA-N 473.957 4.523 50 40 JJGB C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 195993162 KZKVGEIAXRKFFJ-JULRNPMSSA-N 476.686 4.792 50 40 JJGB biogenic Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccccc1Br 408591554 UWEVLAXXWYEPOB-CIAFOILYSA-N 452.443 4.893 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)c(Cl)c1O 408676718 MSXAZQYQBPIONY-FSJBWODESA-N 466.763 4.571 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408788250 DASKMHLMKJVPAA-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 408864353 UPAQGAFFOBAPRE-YZSQISJMSA-N 473.957 4.523 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OS(=O)(=O)c1ccc(C)cc1 408888497 WCQINJDLGNARAD-QGOAFFKASA-N 482.945 4.970 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc2c1OCO2 408955517 YHLVYKYYVVVBAH-NTFVMDSBSA-N 453.498 4.954 50 40 JJGB NNC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2[C@@H]1c1ccccc1 835852 NXCCQIIUISVAEO-NRFANRHFSA-N 469.770 4.576 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 935014 DPDFERHLSVFSES-CKVBZJJFSA-N 477.973 4.984 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@H](C(=O)OC)C(O)=N2)cc1 2311015 CIRWYFGRXWSLRQ-RTWAWAEBSA-N 499.976 4.689 50 40 JJGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccc(Br)cc1C 8856686 ZHYMKUMOEUXBES-LGJNPRDNSA-N 486.288 4.676 50 40 JJGB COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 9087971 KEOAPNMBXSHCOB-OPEKNORGSA-N 461.349 4.545 50 40 JJGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)C1 9348356 MDLPSNBGVDNIDV-VEQOMDPPSA-N 481.600 4.574 50 40 JJGB O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 28213872 WPTKVNUXJGRYGS-AFUMVMLFSA-N 453.951 4.600 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678302 OYZPECLZBFKKPH-WSVATBPTSA-N 463.877 4.690 50 40 JJGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N/NC(=O)c1ccc(Br)cc1)c1ccccc1 100922197 ULIMJOYTFZZVRI-XIPYDIPCSA-N 475.346 4.622 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCC)c(C(=O)OCC)c1C 408546960 PQEGVAYRRUFFJL-SFQUDFHCSA-N 455.532 4.527 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1[N+](=O)[O-] 408598461 AXAHUADFGVIERJ-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 408612686 WXWFSCFWPKTRTP-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 408967463 RUPXEXUTQSIXCF-QRQIAZFYSA-N 469.497 4.527 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(F)cc1 409125615 DHUDOJIWHXJUAE-JOCHJYFZSA-N 467.928 4.797 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1C 883572 GJCNDUHOECKJPQ-DEDYPNTBSA-N 452.514 4.713 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccccc1Cl 1496979 QFCKCNFCGPVLIT-OPEKNORGSA-N 474.742 4.849 50 40 JJGB N#C/C(=C/Nc1cc(C(F)(F)F)ccc1F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2561724 OZBUXUHUVVVMSU-LCYFTJDESA-N 454.323 4.994 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1Cl 109020524 AVDFFNWSVVWESR-VULFUBBASA-N 451.910 4.650 50 40 JJGB O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408607679 NPGRDFYTHPPTTN-QGZVFWFLSA-N 498.352 4.663 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 408758791 RGQFNYSGYIMBOE-CPNJWEJPSA-N 457.442 4.758 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 408761069 HGQDNYXUPSWRML-OGLMXYFKSA-N 453.498 4.630 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408789661 QRYZXZKGQQLPIK-LDADJPATSA-N 497.345 4.582 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408791718 BJZLUEGSRMUJDJ-MHWRWJLKSA-N 470.312 4.827 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3ccccc3)c2)cc1 408887919 SCJSYBZZMNBMAM-RCCKNPSSSA-N 470.481 4.637 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)NC1CCCC1 409195987 XXQUMOHBQFERMZ-YVLHZVERSA-N 490.316 4.975 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409219503 NGRAMIOZXFXAGA-SFQUDFHCSA-N 476.876 4.811 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1 409219725 UGHONTDVQNDJSI-HRFHKSBPSA-N 491.931 4.690 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409367467 ANEKQYJKSCSBLN-XNTDXEJSSA-N 461.396 4.944 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC 1093290 MXAFNWTYDILANY-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1Oc1nc(Cl)ncc1F 1812033 SQAYPZZJIZUCBW-PGGKNCGUSA-N 479.693 4.596 50 40 JJGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888882 JBQYEPRZZRBGLB-NLTRVXJZSA-N 471.557 4.611 50 40 JJGB CC1(C)[C@@]2(C(=O)Nc3ccccn3)CC[C@]1(C(Br)Br)[C@@H]2Br 2334005 AYSYGAXXLZIKSF-VQISRLSMSA-N 481.026 4.706 50 40 JJGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3208567 TYHGDPDCYXCCRQ-LGJNPRDNSA-N 481.883 4.924 50 40 JJGB Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 9144670 MGJNVEVRARDMBM-MKFKGKHESA-N 457.574 4.787 50 40 JJGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274983 LKOFUPDXWNHREV-PGRDOPGGSA-N 460.477 4.747 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Cl)cc3)nc12 13776427 YWPRXBINYHPDAP-XMHGGMMESA-N 470.916 4.672 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19949541 OMRKGKPAEHRXBM-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccc1O 55389414 NXQKMUHJFNLFMG-MXAYSNPKSA-N 450.951 4.686 50 40 JJGB N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2Cl)C1=O 113482635 DYADATLDPFFPTC-QGZVFWFLSA-N 487.766 4.838 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408788390 JVPUYGJEVYWBSO-RCCKNPSSSA-N 471.469 4.896 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccc(Br)cc1 408846964 OKLDWVFOODYUAB-CFRMEGHHSA-N 468.307 4.882 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OS(=O)(=O)c1ccccc1 408955903 POKWXRQUEXXOTE-OVVQPSECSA-N 480.586 4.914 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1OC 409020623 RDXXOHHCACRHPM-DICXZTSXSA-N 481.936 4.529 50 40 JJGB Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)c1 409251000 NRKLPUMMSSMSPS-QFEZKATASA-N 466.335 4.539 50 40 JJGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/C=C/c1ccco1 2220600 XWNCFBNPKRXXLF-BZCVXYEQSA-N 464.934 4.540 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(O)nn2)cc1COc1cc(C)c(Cl)cc1C(C)C 2316383 JUDXIDUDJIWWEZ-RPPGKUMJSA-N 468.941 4.619 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C3=C(CCCC3=O)N2)c1 13174760 CEGZWGQYZXDWGV-HSZRJFAPSA-N 463.534 4.635 50 40 JJGB COc1cc(/C=C(/C#N)C(N)=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 33554117 WSRAQZOJWBJBKZ-XGICHPGQSA-N 456.123 4.736 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 59101874 JBZFLELXTMYZLA-MZJWZYIUSA-N 469.900 4.546 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408605446 KFLVSMUKMQANAC-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408734834 KJLWDSAJHXRPQV-SRKIZSPNSA-N 485.378 4.629 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 408758090 GMCQDPKJSSSEFX-VULFUBBASA-N 496.361 4.548 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408762633 LNDQBDKBFMTDDL-QGOAFFKASA-N 461.905 4.912 50 40 JJGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408798989 XPUAWPSLCLRYCI-VZUCSPMQSA-N 481.100 4.674 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1 409049411 WRDQXGIEWYJLKK-LDADJPATSA-N 461.905 4.917 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409137623 WJPDCQKFDVRXSD-NRFANRHFSA-N 496.317 4.751 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccccc3Cl)o2)c(Br)c1 409171253 ZQAXRKLAOLBBOB-KWRYHKOTSA-N 488.769 4.940 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 935009 NLNKGODYAUVTPR-IVYNLYIOSA-N 477.973 4.984 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1C#N 1097146 LKHACEDXTJIVSR-RWPZCVJISA-N 484.468 4.954 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1cccs1 20028796 CYOGWNJWCOLFQS-JOCHJYFZSA-N 465.600 4.854 50 40 JJGB Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)c(C)c12 22990768 WRLDAQGIYNZQAF-OAHLLOKOSA-N 460.559 4.567 50 40 JJGB CCOc1c(Br)cc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)cc1OC 32703885 XQZXODGLLCRLCK-MSXFZWOLSA-N 463.372 4.817 50 40 JJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br 108078771 VAYWVGMLEVMMCQ-MLPAPPSSSA-N 494.139 4.854 50 40 JJGB CCC(CC)=NNC(=O)c1ccc(CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 408722189 RAOGMPDXIDAANG-UHFFFAOYSA-N 479.602 4.997 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408742373 AEFCNEYGXGCXSZ-NVNXTCNLSA-N 477.742 4.899 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 408861698 FUCYCAOXFNBKGA-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OS(=O)(=O)c1ccccc1 408889334 CQNVUFJYRTUTFV-QGOAFFKASA-N 482.945 4.970 50 40 JJGB Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Br)cc3)cccc2[N+](=O)[O-])cc1 409219448 MPRCINBNDOUPIX-CFRMEGHHSA-N 482.290 4.649 50 40 JJGB Cc1nc2ccccn2c1C(=O)N/N=C/c1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1 642406 BWMALRBQBOBQTL-JFLMPSFJSA-N 454.921 4.913 50 40 JJGB CCn1c(SCC(=O)N/N=C\C(Br)=C\c2ccccc2)nnc1-c1ccc(C)cc1 9762979 LETSWLGQMDGFEH-LJFHLDAPSA-N 484.423 4.904 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C)cc2)cc1 19956727 YJBOSMUMWJEZQG-MFKUBSTISA-N 488.034 4.716 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 58913468 DCONXYFCZHGTIY-RDRPBHBLSA-N 482.540 4.984 50 40 JJGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1cccc(I)c1 59473581 YLGVSQXSWJSFQZ-RCCKNPSSSA-N 452.361 4.682 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 169879917 DQVAHJAZEJXUNH-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OC 408599328 SPDICDMTHJPXGX-KPKJPENVSA-N 463.300 4.841 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408615016 KUBFYMHYKRVKRD-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1 408809630 HOGQYQJQPOSPBN-RCCKNPSSSA-N 459.933 4.623 50 40 JJGB COc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1Cl 409266743 YEDUHJSWUGJZTO-ICIGSMAMSA-N 491.975 4.739 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 706226 BXTYGDHYAUERDF-SGWCAAJKSA-N 493.629 4.822 50 40 JJGB Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 1055694 ZWXJFCZYDBENCB-AFUMVMLFSA-N 467.319 4.506 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1F 2332093 DLDCVYOHCSXMTK-ZVBGSRNCSA-N 452.989 4.865 50 40 JJGB O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1cccnc1 2738976 WSJZSCBWAXODLG-OCSSWDANSA-N 493.596 4.670 50 40 JJGB Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)[C@H](C)Nc3nc4ccccc4s3)cccc2c1=O 9254419 BCGHRGPMTQJMNF-INIZCTEOSA-N 498.564 4.640 50 40 JJGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 9469923 GXFWIUAHRJHXCB-CNTTZWEVSA-N 460.361 4.775 50 40 JJGB CCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 15135054 KIQNSJYTNLAJPQ-VULFUBBASA-N 454.571 4.805 50 40 JJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCC(=O)OC 35363023 VRNHYSQIGRLFSQ-NVNXTCNLSA-N 470.323 4.649 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1 108250438 WNAIZVOFTIECFT-MZJWZYIUSA-N 491.345 4.622 50 40 JJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OC 408569921 RBXWKRFQHZEXET-SDQBBNPISA-N 463.250 4.778 50 40 JJGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 408607574 TVEIBELDORGBBJ-KRWDZBQOSA-N 460.437 4.523 50 40 JJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I 408791673 AOXFSGKKAKVKBS-NTEUORMPSA-N 462.674 4.502 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 408796285 XRPUCAJJAARRBK-LICLKQGHSA-N 487.350 4.644 50 40 JJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br 408808194 FKNLFAVXTGKNAR-VTNJTDAWSA-N 468.351 4.730 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)cc2C)cc1 408838381 VTGIOGYPMBTPJL-LQKURTRISA-N 477.630 4.883 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408890108 NZFYQECBWGWLHZ-LDADJPATSA-N 482.945 4.970 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(F)cc2)C2=C1CC(C)(C)CC2=O 409128321 FCBOKESHQMOWBP-VWLOTQADSA-N 475.564 4.787 50 40 JJGB Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3ccccc3C#N)c(Cl)c1)C(C#N)=C(N)O2 409131981 QDANGPNYPRGVTB-LJQANCHMSA-N 452.301 4.694 50 40 JJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409358616 MIGFKVNZATVQQK-AUEPDCJTSA-N 477.702 4.833 50 40 JJGB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NNC(=O)c1ccccc1 848237 CLRGNMPRINLLKM-UHFFFAOYSA-N 464.550 4.841 50 40 JJGB O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 3058853 WSELYWMXXMFNSI-VUTHCHCSSA-N 463.493 4.922 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1 3628392 NVRGADUMNNNFRR-DEOSSOPVSA-N 462.889 4.874 50 40 JJGB Cc1cc(C)nc(OCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)n1 4106425 IUEWGFHYSLBKMB-LUOAPIJWSA-N 482.371 4.932 50 40 JJGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 12251113 MZTMRGPMFSDBTB-INIZCTEOSA-N 471.336 4.577 50 40 JJGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)N1CCOCC1 15229395 LZQUFXBNCAXDCC-XFXZXTDPSA-N 453.745 4.612 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1O 20240596 QZVSGPCUYQRMEM-VUTHCHCSSA-N 457.574 4.619 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558572 KLOSFSRCJWTEMR-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)NCc1ccccc1 28214888 PGOHJDPOQMLSOK-OGLMXYFKSA-N 482.005 4.668 50 40 JJGB Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)sc2NC(=O)c2ccco2)cc1 102845674 AJEJIWLNOUFBSN-UYRXBGFRSA-N 484.537 4.892 50 40 JJGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1OC 408583052 RJTNVXKLFJKSHF-WLRTZDKTSA-N 497.139 4.756 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408736971 FJNUTBGFXKMHFN-ZMOGYAJESA-N 492.538 4.666 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)c(Cl)c1 408762038 MKDIZXJPRPOJAY-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br 408808193 FKNLFAVXTGKNAR-OMPOGXFXSA-N 468.351 4.730 50 40 JJGB COc1cccc(/C=N\NC(=O)Nc2cccc(Br)c2)c1OCc1ccc(C(=O)O)cc1 409187643 SUJISJVVQKJMPU-MXAYSNPKSA-N 498.333 4.891 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)c(O)c1 409392461 POOZHUBEKWARGU-ZMOGYAJESA-N 455.308 4.506 50 40 JJGB O=C(NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)c1cc2ccccc2o1 985075 FYGZXWZOSQKZCE-UHFFFAOYSA-N 470.554 4.888 50 40 JJGB COc1ccccc1OCCOc1c(Cl)cc(/C=N/NC(=O)Nc2ccccc2)cc1OC 4207691 RXNPIIUXNMCWFR-WGOQTCKBSA-N 469.925 4.971 50 40 JJGB CCOc1cc(OCC)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 9259109 IDUSCCJLRCUZDV-WPWMEQJKSA-N 497.389 4.633 50 40 JJGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 20247256 MAWOQRIHJNZIEW-TUIZQPODSA-N 474.542 4.523 50 40 JJGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4C)o2)C(C#N)=C(N)O3)cc1 22705443 IBWSYNZKAIZEHP-NRFANRHFSA-N 469.457 4.780 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 58912982 SOTIKFPIKPGYQJ-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 408897252 RBOGOMPBOWCLMS-GZTJUZNOSA-N 497.916 4.870 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409048596 SLXQIDYNGIIWCJ-GZTJUZNOSA-N 476.876 4.811 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409069123 WIIGVUJDTZXUEF-GHRIWEEISA-N 468.918 4.662 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C 409237981 YHTGRVQQQXUZSZ-JCMHNJIXSA-N 458.518 4.667 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)c1C 409256532 LVNRKBZSZKAQOX-WGARJPEWSA-N 480.362 4.847 50 40 JJGB O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 409270824 IAOPSFSPTGYMCC-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409270914 RXWLJZXARDJUHW-DICXZTSXSA-N 465.937 4.829 50 40 JJGB CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccccc3)cc2)sc(C)c1C 1785494 COGWQGKPHZMEEG-JEWIKEISSA-N 493.585 4.712 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 9088413 CNWSUQJUKDEHQC-ITYLOYPMSA-N 457.559 4.581 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CCCC3)ccc1OCC(=O)Nc1ccc(C)cc1 9666191 AYBAWKZIXIBHQW-JFLMPSFJSA-N 477.586 4.725 50 40 JJGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33661164 DOGBKZIVTMSVOL-SSDVNMTOSA-N 490.335 4.909 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1ccc2ccccc2c1 408548835 LXDYEDCNNVBGKB-NVMNQCDNSA-N 455.251 4.972 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)c(C)c1 408909438 UIFWYUHOKSOTSB-RDRPBHBLSA-N 489.572 4.503 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(C(=O)c2ccccc2Cl)CC1 409006133 MLKNBKHDWITSFV-RDRPBHBLSA-N 475.976 4.922 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 409148589 YSADCWFHPCDUGL-NRFANRHFSA-N 481.346 4.851 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2416272 NMUDFJKMTAXFOZ-NBVRZTHBSA-N 477.929 4.787 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 10475934 IBGVJEDXEMPOJB-CVKSISIWSA-N 467.909 4.919 50 40 JJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13388079 RLHOQIPAWUYCKI-IZZDOVSWSA-N 470.201 4.930 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 16735521 OBRVOSDOGIEOMR-SAPNQHFASA-N 456.889 4.994 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19948988 LJBOPZXIRWUAIT-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1cccs1 30843212 XGGLTZGQNMZELD-QFEZKATASA-N 452.532 4.512 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 33621932 XTIHLLABORUPDU-BKUYFWCQSA-N 483.528 4.758 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2Cl)cc1 35211782 IQDXDWAWUZMOMU-AQTBWJFISA-N 491.931 4.920 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 50574848 SHGNDZGXHQFJQG-JJFYIABZSA-N 471.336 4.599 50 40 JJGB CC(C)[C@@H]1Nc2ccc(S(N)(=O)=O)cc2[C@H]2[C@@H]1C[C@@H](Sc1ccccc1[N+](=O)[O-])[C@H]2Cl 245232526 XAUIRGBLWMLADI-ZHKIPFSYSA-N 482.027 4.564 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 408528433 HQEJTRSCTSKGQC-AMVVHIIESA-N 452.436 4.718 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl 408755524 ODYDONYEGHSLLX-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc(C(=O)O)c1 408952628 VLMMFKAOJQGMKZ-QRVIBDJDSA-N 495.535 4.720 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)c(C)c1 408954392 SUEIENHUCNICTM-WDZFZDKYSA-N 471.092 4.809 50 40 JJGB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc3ccccc23)c1 409225573 PTPFWLORBUMTQY-YUMHPJSZSA-N 469.453 4.740 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409259927 HWDKCVZMOKIZPC-CIAFOILYSA-N 489.959 4.898 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 1410474 DQIUEPZLWOPATB-JFLMPSFJSA-N 468.469 4.854 50 40 JJGB Cc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(C)n1-c1ccc(I)cc1 3251422 UOJYOATYDOMULQ-BRJLIKDPSA-N 482.325 4.944 50 40 JJGB CCc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 8457108 VPYYQAMXJTVRCK-OVRWREGLSA-N 474.992 4.890 50 40 JJGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2OC)c1 408819551 ZHSFHGZISYBBQY-PBDAMEFISA-N 464.562 4.893 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC#N 409032111 IWQZDJZUTRTVID-MIXAMLLLSA-N 450.498 4.967 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409221749 ARKOMLINMADEDM-SFQUDFHCSA-N 477.904 4.617 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1 1055723 OVYSEARFBQHNNP-AFUMVMLFSA-N 467.319 4.506 50 40 JJGB COc1cccc(COc2ccccc2/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 3083697 BDAHIMCOUUHSKU-AEIQVQRHSA-N 483.362 4.954 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(I)cc1 10476132 VIAVZUGWZBCRLA-SRZZPIQSSA-N 450.663 4.969 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12 16157905 NNDQBFDFDKOTDS-AYRFUNSJSA-N 468.509 4.641 50 40 JJGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@H](Br)[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 118927108 BJQVYOSLJSLGJU-KLFBRAJWSA-N 453.417 4.718 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 408758783 RDBKMEJZOGZQHB-CJLVFECKSA-N 483.524 4.735 50 40 JJGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4ccco4)cc3)sc2c1 408844043 OISOUEQEKGVNNT-UHFFFAOYSA-N 453.907 4.783 50 40 JJGB CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1I 408905547 ZBWNTJKTULZQEW-GRSHGNNSSA-N 488.123 4.608 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408906793 KLAQUXKLQWLBNC-QQNPRBCQSA-N 479.964 4.727 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 409197265 ACXNOCGIGKFNFQ-KEBDBYFISA-N 476.916 4.880 50 40 JJGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409261344 AKQAOMIBJVHYGM-QORIIEMTSA-N 483.902 4.700 50 40 JJGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)c(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 1474042 OBEOPHHGAOGGSC-WGOQTCKBSA-N 481.622 4.609 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 8722641 OFTIZDMFALDOSL-ZHZULCJRSA-N 471.513 4.575 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)CSC3=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N3)ccc21 8780507 NRJYYPQZCPEAIN-SFHVURJKSA-N 457.559 4.517 50 40 JJGB CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 16753051 JMNKGIBSKIYPJF-OENGVYFNSA-N 478.552 4.619 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 23218454 WCHIKYBOOHRXPL-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1 59534070 GKKIQHAHVAXWOF-WOJGMQOQSA-N 467.319 4.853 50 40 JJGB O=C(N/N=C/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95537656 PZHJWBLSAMZQHU-LYOATTTOSA-N 466.197 4.876 50 40 JJGB CCOC(=O)c1c(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCCC2 102401693 NARMTDWMZCBEES-ITEAAPOESA-N 482.440 4.901 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 107995327 ITVHHIIGSGXRLR-NUGSKGIGSA-N 496.328 4.822 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 408611437 WGGXHEBNIFKIJJ-FQEVSTJZSA-N 463.965 4.978 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OC 409211204 LEJZAKJQXZQSDR-UFFVCSGVSA-N 457.777 4.752 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)ccc1OC 409318355 UZMVSSJERVWZIL-WGARJPEWSA-N 483.908 4.998 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1cccc2ccccc12 409361292 GUWLUMCOCKCHQT-YKQZZPSBSA-N 482.536 4.891 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 8812582 ZJRLKCGWPUOEDD-VULFUBBASA-N 464.319 4.672 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1 16408781 UPVIYZACSBGFIR-XMHGGMMESA-N 459.477 4.788 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccccc3F)C(C#N)=C(N)O2)S1(=O)=O 20558687 PGCQRWDHMSKOEX-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB O=C(N/N=C(/C/C(=N/NC(=O)c1ccccc1)C(F)(F)F)c1ccccc1)c1ccccc1 30726624 ULYZFCFUNUQLPI-FJWSNAJBSA-N 452.436 4.559 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 58913449 OMEYHIJBPNCJOA-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)[C@@H](Br)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118927109 BJQVYOSLJSLGJU-DTCCCVMPSA-N 453.417 4.718 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(C)C)c(Br)c2)c(C#N)c1C 408546655 LJDXTWCEYJJBQR-OVCLIPMQSA-N 486.391 4.652 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccccc1 408611877 XGAQPOFKNBWRGO-JOCHJYFZSA-N 473.573 4.723 50 40 JJGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc2ccccc12 408755706 MHOPDGOSXKYJCI-VCHYOVAHSA-N 451.320 4.972 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCC#N 408795055 UOEVBSBDTVZOGC-LICLKQGHSA-N 454.324 4.913 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)cc1 409113470 AZCGVXTZSCUMKC-BJRSOBTISA-N 461.587 4.952 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 409232016 NIYSVVUZUBZJMB-WMZJFQQLSA-N 456.174 4.627 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccc(F)cc1 409325484 ZCCIZHFVTXYBTO-AWEZNQCLSA-N 450.322 4.843 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409333117 IUVGWTXQUSOUDZ-MRXNPFEDSA-N 475.492 4.815 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)sc(C)c1C 2669831 FTOFQLKWELNSCU-FOWTUZBSSA-N 464.503 4.786 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 3089338 QTSHPDCZMJPHOU-CVKSISIWSA-N 484.424 4.639 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\C=C\c3ccccc3)n2-c2ccccc2)cc1 19849246 ZYVJJWFTZJFKKK-UWRPBMCQSA-N 469.570 4.850 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cc(Cl)ccc2C)cc1 20206966 ZMDKXXVGUNOMMW-UHFFFAOYSA-N 462.015 4.979 50 40 JJGB Cc1sc2ncn(CC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)c(=O)c2c1-c1ccccc1 101087983 YERYBOAKTBCEAR-MUXKCCDJSA-N 458.587 4.881 50 40 JJGB COc1ccc(-c2nnc(S[C@H](C)C(=O)NNC(=O)c3ccccc3)n2[C@H]2CCCC[C@H]2C)cc1 102124007 LVSBLSSDRBAPQJ-HMFYCAOWSA-N 493.633 4.647 50 40 JJGB Cc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c1 408718231 DCWIGLNOQDNPDI-ZMOGYAJESA-N 482.290 4.649 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl 409213766 UNLDKXKWGCKCGM-NUGSKGIGSA-N 475.781 4.831 50 40 JJGB Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Br)c1 409240100 OMSWGCGJQZDCMF-BRJLIKDPSA-N 499.434 4.986 50 40 JJGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1 1838175 XHRUPBAEKYGNED-AFUMVMLFSA-N 492.948 4.738 50 40 JJGB O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1Cl 2096980 HWXWUSMZXYDRMS-JFLMPSFJSA-N 476.993 4.775 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)c(OC)c1 8780689 IAHGSHTZBWLQDF-ZMOGYAJESA-N 491.773 4.519 50 40 JJGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@H](c2cccc(OC)c2OCC)CN1C(=O)CCl 11692286 CWYWFQPDEJMFTA-HFJWLAOPSA-N 484.980 4.566 50 40 JJGB C=CCN1C(c2ccc(F)cc2)=CS/C1=C(/C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 12618486 GHUVDEMKSSFCHX-LVWGJNHUSA-N 486.576 4.669 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 16157814 CVMNPWFHPLDPFT-XDJHFCHBSA-N 485.452 4.536 50 40 JJGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1Br 32138932 KIMQPMFHSYYYRN-UUYOSTAYSA-N 485.250 4.822 50 40 JJGB C=CCc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 32576910 QGHQGSGHHHWWOI-QRQIAZFYSA-N 483.597 4.919 50 40 JJGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408541843 HZNHVPQYXMEKHC-UYRXBGFRSA-N 464.481 4.524 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C 408589928 NMNAZFXJCWUIQT-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=N)COc1ccc(Cl)cc1 1385329 LTJCASVCGNJWBJ-UHFFFAOYSA-N 453.713 4.901 50 40 JJGB Cc1ccc(SCCC(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 9666128 MHTXIYUPMUBIDC-KOEQRZSOSA-N 466.632 4.588 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9972317 APKBLTOHSUJXAZ-VULFUBBASA-N 493.476 4.565 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1OC 30742735 KLAXTRSRVRURJN-YVNNLAQVSA-N 495.051 4.743 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33632599 NQFDLUQNMDICQU-WKIKZPBSSA-N 469.900 4.578 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)c(Br)c1O 34904087 WPMFTRIJBJRUQJ-GHXNOFRVSA-N 466.129 4.780 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC 408818805 OYMRUOBSRFQCDD-ZROIWOOFSA-N 480.277 4.773 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2)cc1 408940005 TUTLVZBAZHFAOZ-AQTBWJFISA-N 452.919 4.962 50 40 JJGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc2ccccc2c1 408950065 DHBXWQRPPKMGFR-DJKKODMXSA-N 469.076 4.564 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)o1)c1ccc(Br)cc1 408996975 KVQDMPCSRVAIDA-SSDVNMTOSA-N 491.139 4.821 50 40 JJGB Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12 409370913 DMTJCMZROHEDHM-LGJNPRDNSA-N 494.336 4.640 50 40 JJGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C 835006 SRAFPBCBBXARPY-NBVRZTHBSA-N 458.905 4.944 50 40 JJGB COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1OC 985635 GZTWDVMCGRWEMQ-SFHVURJKSA-N 473.316 4.627 50 40 JJGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc4c(c3)OCO4)NC3=C2C(=O)CC(C)(C)C3)o1 3336210 WHGOHAQMJUGFCO-QHCPKHFHSA-N 491.569 4.754 50 40 JJGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(C)=O)cc1OC 8974926 XDMJZITYXKUQKY-RVDMUPIBSA-N 450.476 4.915 50 40 JJGB COc1ccccc1OCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccco1 9425693 JNSPNESWSUHIOR-QGOAFFKASA-N 497.345 4.732 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 20214017 QXQAEYNFAQKKRM-UHFFFAOYSA-N 471.623 4.953 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 23217199 GEYCUJIHMKEWGJ-DEDYPNTBSA-N 475.932 4.589 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(C)cc1 28217876 JYEYHEINUACHJL-DHRITJCHSA-N 469.335 4.815 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408608871 QDBDDUWOULGPDS-FQEVSTJZSA-N 493.991 4.986 50 40 JJGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccc(F)cc1 408610839 UOYIOUQVTJRPAN-KRWDZBQOSA-N 483.927 4.563 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 408727327 VXVMLNKYEJQYST-OGLMXYFKSA-N 452.514 4.707 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccc(C)cc1 408782019 VEUSQESZRCIWJC-NVMNQCDNSA-N 490.341 4.619 50 40 JJGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c[nH]c2ccccc12 409015115 NURQZLAZFQBYJT-ZLVZFWLDSA-N 489.403 4.923 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2F)o1 409157760 NLRNBVAJHSXZFK-QESWDSMOSA-N 480.496 4.597 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 409186135 XHNLNLFXPQIWRN-CVKSISIWSA-N 494.375 4.868 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409259073 ZLFUZEWZMHECMA-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409263961 IUZPSSRUMFFKMY-OEAKJJBVSA-N 469.541 4.553 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409377168 GLFRBVCVLVPKDB-LFIBNONCSA-N 465.868 4.748 50 40 JJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 2585713 WKCKKRRCDIERDA-FYJGNVAPSA-N 450.472 4.521 50 40 JJGB CCc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2CC 8743623 SYXNXFZIFNAHEZ-GDWJVWIDSA-N 490.567 4.556 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 13774940 NDKWBTKCPSQPQL-SFQUDFHCSA-N 463.335 4.520 50 40 JJGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(I)cc1 59473209 FQYVNLLWYKJSST-DQAKUKQTSA-N 458.752 4.966 50 40 JJGB CCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 95681968 OYIRZNPUQBTTBV-UHFFFAOYSA-N 491.416 4.978 50 40 JJGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(N)=O 408580683 QSZFOOFXGFUJPD-VGOFMYFVSA-N 480.156 4.539 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 409263259 IMUQAQMDKAURMC-LDADJPATSA-N 461.905 4.917 50 40 JJGB CN(NC(=O)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1)c1ncc(C(F)(F)F)cc1Cl 1382268 DBSQMSHNWPWVFM-ZDUSSCGKSA-N 467.662 4.721 50 40 JJGB Cc1cc(C)cc(NC(=S)NNC(=O)CSc2cc(C)c(Br)cc2C)c1 3257749 CBDMBSAQGJRGKX-UHFFFAOYSA-N 452.443 4.793 50 40 JJGB Cc1nnc(SCC(=O)N/N=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)s1 8861564 DQVHTWOCEQIBEV-WSDLNYQXSA-N 479.052 4.913 50 40 JJGB COc1ccccc1/C=C\C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 16712140 LBWRXFBODMFKNZ-GPHHWKPSSA-N 484.581 4.610 50 40 JJGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19953301 AVHVSEJAOFNVNG-DHRITJCHSA-N 496.803 4.992 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 33735043 SQZAQCBKDONELD-SXGWCWSVSA-N 471.307 4.656 50 40 JJGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 58892670 KUHBQYIKYLOYNQ-JOWQQVNMSA-N 477.517 4.536 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(Br)cc1 59445217 DXGWEYRKXCHLFH-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC 59484027 AVIYFHCBRQXSHL-DHDCSXOGSA-N 462.287 4.553 50 40 JJGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)C1=O 100787286 NNZYOWYOQOFAQF-SFQUDFHCSA-N 450.878 4.555 50 40 JJGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144867413 GLKQQQYVMUUABV-PDGQHHTCSA-N 456.365 4.568 50 40 JJGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1C(C)C 408854434 FTBOJRLDYWAZLR-SSDVNMTOSA-N 466.319 4.591 50 40 JJGB Cc1cc(NC(=O)N/N=C\c2ccc(OCC#N)c(Br)c2)ccc1Br 408909483 UOMQYUGVKHKLJF-FBHDLOMBSA-N 466.133 4.578 50 40 JJGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc(C)cc(COC)c1C#N 409007252 NGAKKYPYIPPVAV-MBTHVWNTSA-N 476.602 4.983 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 409210189 IPEUHFQCTDAPBY-BHGWPJFGSA-N 485.389 4.576 50 40 JJGB C=CCOc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409212647 RSCRSYLQDNAPEZ-SSDVNMTOSA-N 469.788 4.918 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409389900 AXDIFFMWPTXMCA-RIYZIHGNSA-N 487.297 4.814 50 40 JJGB N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9311216 VEZJCEINSJLNDM-LUAWRHEFSA-N 451.360 4.741 50 40 JJGB N#Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(I)cc3)c2)cc1 10118618 QVCLNBXLFLWOFH-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OCC 12275621 BBBUTUJKLPNVQU-CLOONOSVSA-N 468.550 4.656 50 40 JJGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 16735405 LPDORQSULWXALV-DTQAZKPQSA-N 472.888 4.694 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1)c1cccc(Cl)c1Cl 19926512 FWFHVJVBRPSGHV-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)S(C)(=O)=O)cc1C 20059230 FEUAJWIJZFZRAU-CVKSISIWSA-N 469.994 4.687 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 20059573 ZSXQYIYDXUQHPN-OEAKJJBVSA-N 456.395 4.727 50 40 JJGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1 33774976 UBTXIXBXVYJYLH-BOPFTXTBSA-N 478.526 4.860 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OC 408726078 PNAYFSNKUXXUOC-DHDCSXOGSA-N 462.287 4.553 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)cc1C 408789352 PCQRVRPPRSTIBJ-AWNIVKPZSA-N 497.130 4.922 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409073673 WUMLPEIEHWDYPD-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1 409223830 IRUJTVXPUXCALZ-AQTBWJFISA-N 461.905 4.912 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)cc1 1426564 NKNNSIMWGABDAV-WUXMJOGZSA-N 483.103 4.613 50 40 JJGB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1783812 JQCBRISWNGSMTB-JOCAPRCESA-N 463.390 4.601 50 40 JJGB O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccc(Cl)cc1 2220651 LIGUEBRDJGLSQQ-LSFURLLWSA-N 485.190 4.791 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1 9329403 DEKKSQHXANZQOR-MFKUBSTISA-N 478.578 4.909 50 40 JJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 14152173 MCYSGYUZEMAUGK-OQLLNIDSSA-N 451.935 4.718 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 15018691 WHPNHBLVYPPTRZ-LSHDLFTRSA-N 454.236 4.726 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCCc1ccccc1 16411668 RXCNRBYFADIXNB-FOWTUZBSSA-N 466.291 4.883 50 40 JJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 19861203 MIBDXELIIQYHOT-ONUIUJJFSA-N 459.531 4.625 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccco1 19901115 NGIJAYLWSCRZNR-QHCPKHFHSA-N 463.559 4.694 50 40 JJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1 30840615 QRRPKCRGIQBRSK-QRVIBDJDSA-N 454.280 4.553 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OC 33657595 FUBGXOVFIZDJBZ-VGOFMYFVSA-N 459.287 4.866 50 40 JJGB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)CC#N)c3C)sc3c2CCCC3)cc1 59678935 XQJKKGVPGIGZOG-RWPZCVJISA-N 473.602 4.959 50 40 JJGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 83324890 CEKAACAAWUNXLD-YUMHPJSZSA-N 475.888 4.894 50 40 JJGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408567274 CTRKXRKGHMDMCP-WSDLNYQXSA-N 481.437 4.856 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409224860 LCYQOERNEVCWEU-QGOAFFKASA-N 461.905 4.912 50 40 JJGB CN(NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ncc(C(F)(F)F)cc1Cl 1405803 JQKNHGQTYFLWPU-UHFFFAOYSA-N 455.651 4.557 50 40 JJGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888976 PSCPCJIHRJWPLW-NLTRVXJZSA-N 489.547 4.750 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br 9057464 MOCUYYSHXBMDGZ-IZZDOVSWSA-N 481.100 4.674 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c(OC)c1 9693358 RVHRCYLXVXEIEJ-GOSISDBHSA-N 486.391 4.686 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1F 33683594 LBPXIFACHKQYGQ-LGJNPRDNSA-N 472.314 4.725 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC1CCCC1 36611782 DXAPTOYAHJSEHR-FQEVSTJZSA-N 486.410 4.803 50 40 JJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59302815 USAFRELVVYMBAP-FBHDLOMBSA-N 457.486 4.599 50 40 JJGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 83301805 NBZPXTDRCZRQQY-GLYRRZRCSA-N 450.510 4.767 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 107727952 BMYIFMXVYQHJBH-QFEZKATASA-N 498.333 4.638 50 40 JJGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408612054 UEEDVGICUPUPGR-MUFRIFMGSA-N 463.965 4.809 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408860297 XWYJGJLPFORNID-BHGWPJFGSA-N 493.372 4.763 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(O)(c1ccccc1)c1ccccc1 4180238 SEGWNHLEBUNTCC-NDZAJKAJSA-N 454.501 4.791 50 40 JJGB COc1ccc(-c2nc(/C=C/C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cs2)cc1 8753695 UKXSSKNOURMNCE-QPJJXVBHSA-N 451.592 4.586 50 40 JJGB O=C(N/N=C\c1cc(/N=N/c2cccc(Br)c2)ccc1O)[C@@H]1COc2ccccc2O1 9331639 FEYSOYMUINDXON-OVCBYLOWSA-N 481.306 4.860 50 40 JJGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(Br)c(Cl)c1 16693882 IQODUHYGYDNICC-BOPFTXTBSA-N 456.727 4.807 50 40 JJGB COc1cc2c(cc1NC(=O)C(=O)N/N=C(\C)CC(=O)NC1CCCCCCC1)oc1ccccc12 100337715 ZLLMIQSMIXSBNH-OCSSWDANSA-N 492.576 4.644 50 40 JJGB CCOc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccccc1 104052551 BGXBRLVWKQGBSB-OCSSWDANSA-N 479.536 4.928 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408606083 LMEPBIUSPPPVHQ-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC(C)=O 408761702 KVPBHFNYWAGFDJ-ZMOGYAJESA-N 455.308 4.690 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3F)c2C)ccc1I 408772855 ILSUZLLABLPQAP-WYMPLXKRSA-N 475.305 4.910 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408793359 DSTOFAQHORNFBD-GZTJUZNOSA-N 472.925 4.625 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408860437 VPNJVKMFOMPTLU-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408969979 YFEUPZMGEHTFAS-FEGPCZTRSA-N 481.980 4.968 50 40 JJGB O=C(N/N=C/c1ccc(Br)s1)c1cc(Br)cc(Br)c1O 408998263 IQZYFGGXIJOZKC-FZSIALSZSA-N 482.979 4.505 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1O[C@H](C)CC 409230363 YNLZYQOHANEHLK-QHBIDGPYSA-N 450.992 4.565 50 40 JJGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 846313 YHFHKFQLFMIEQI-HSZRJFAPSA-N 480.524 4.988 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888860 DUZCEAOYFFRVIR-YMGIJWJESA-N 475.520 4.707 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1Oc1nc(Cl)ncc1F 8860933 SKJGQNKWZHZRCY-LUOAPIJWSA-N 466.856 4.693 50 40 JJGB O=C(N/N=C\c1cc(/N=N/c2cccc(Br)c2)ccc1O)[C@H]1COc2ccccc2O1 9331634 FEYSOYMUINDXON-GYUSTCIPSA-N 481.306 4.860 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCOc3cccc(OC)c3)c(OC)c2)cc1 9659658 CIBKNTYRCRQCKT-HMMYKYKNSA-N 474.513 4.716 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1Cl 12411515 CWCNHYBJPRUOLX-JFLMPSFJSA-N 466.921 4.795 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 19901137 BAEOGMVGXCPDGK-DEOSSOPVSA-N 494.016 4.815 50 40 JJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59303433 OXJLEEKESKLDFH-UWVJOHFNSA-N 477.904 4.998 50 40 JJGB C[C@H]1CCCC/C1=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 101082580 SCGIGAFUXBXNBT-JJTBQNNYSA-N 464.385 4.546 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2Br)c1 109030921 RAQAXJWLVDJNIV-VULFUBBASA-N 499.361 4.818 50 40 JJGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccc(F)cc1 408602310 CWIFNIIPVBJQNY-FQEVSTJZSA-N 477.536 4.526 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)c(Br)c1 408603885 HOMMYUSSQPLZFQ-HXUWFJFHSA-N 495.402 4.843 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 408606040 LCNOHGDAWXLTGZ-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc(Cl)c1Cl 409019783 XERILKMZQKNUNT-XDWZDTHNSA-N 464.393 4.670 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(F)cc1 409024480 UAAGGDIBQIPXQJ-UHBFCERESA-N 473.504 4.881 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951899 ATFCAIPMBMHFCD-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 19952826 JOGHYKASOVUVMD-NDZAJKAJSA-N 494.576 4.734 50 40 JJGB O=C(N/N=C\c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 29763391 LTBWWOAWTUIHOU-KJJARBMXSA-N 454.754 4.986 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)cc1 408878642 BCEQHUGCIWHTJR-PXLXIMEGSA-N 454.482 4.937 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCC(=O)O 409069869 YDSAZCVBCJSLKA-LICLKQGHSA-N 474.435 4.842 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2Cl)cc1 409224744 LMTMVRMBDSXKBQ-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccs1 9668342 XEHAZYMPLWMIRY-WSDLNYQXSA-N 459.321 4.502 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccccc2)cc1 16712446 WVWUNQKNDZXCLU-CVKSISIWSA-N 477.977 4.839 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 20760510 ZQMDZMUTVKPBHP-FSJBWODESA-N 455.312 4.837 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCc1ccccc1 33423817 QJNJWHVBZHCOHA-MXAYSNPKSA-N 454.324 4.586 50 40 JJGB Cc1ccc2nc(Sc3ccc(/C=C(/C#N)C(=O)N4CCN(c5ccccc5)CC4)o3)[nH]c2c1 59333408 NENWESNVYWLNND-MNDPQUGUSA-N 469.570 4.871 50 40 JJGB Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4ccccc4)cs3)cc2)no1 101179186 VNWLQIFPJBPDSG-LGMDPLHJSA-N 463.544 4.884 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)cc1 408532326 QHEAAUHLIXYABK-XODNFHPESA-N 459.424 4.704 50 40 JJGB COc1cc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 408724752 AJYRYLAIFUNZAY-AFUMVMLFSA-N 465.531 4.566 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408759419 DRMBZSABXVNXSI-XSFVSMFZSA-N 492.553 4.716 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OS(=O)(=O)c1ccc(C)cc1 408880947 JMEGTYUSSDYWQM-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB NNC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 8626879 ABTGGHLOQZKJRF-LPYMAVHISA-N 492.366 4.607 50 40 JJGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1OC 9693372 FWVVLWLURAGNMK-SFHVURJKSA-N 465.575 4.549 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2OC)cc1 9972884 YUEURUKFWWFNAQ-STZFKDTASA-N 485.540 4.884 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 14134874 HTLUJMPYARGTEC-AFUMVMLFSA-N 498.333 4.638 50 40 JJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 33516446 TZWVAUDIDANCPL-YBEGLDIGSA-N 474.385 4.539 50 40 JJGB CCC[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 100931261 MNHSTJZUKJYBPK-LLVKDONJSA-N 477.389 4.586 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408760682 CZTHFTJDAFZKOR-RWPZCVJISA-N 459.889 4.637 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408776251 XLYSVOWYMRJYND-UPJKQUEQSA-N 459.571 4.623 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cccc(Cl)c2C)cc1 408786870 WUYLZECZTYLXQJ-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 409043491 RBTKLOITBWKXHZ-QGOAFFKASA-N 461.905 4.912 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1 409245179 OPKCAKUFMRZDPL-AOMYKUFJSA-N 469.541 4.806 50 40 JJGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OCC 409335754 XNTACEBNRNEVAH-QQXSKIMKSA-N 458.942 4.702 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 886185 POHOPKOGEXDBCH-ZVHZXABRSA-N 476.536 4.893 50 40 JJGB Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 1474714 WHLDWTONCSCVGH-VULFUBBASA-N 462.966 4.534 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccco2)N1 8659783 WVVWHZCACZYNOL-DEOSSOPVSA-N 470.554 4.986 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CCC3)ccc1O 13189398 ZCKLUZZHSZFVNN-DEOSSOPVSA-N 475.570 4.510 50 40 JJGB O=C(CNC(=O)c1cccc(F)c1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 15135109 RFNFCZNOVSUKQC-QVAGMWBUSA-N 465.528 4.986 50 40 JJGB Cn1c(SCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)nnc1-c1ccccc1 33352767 GNXIKYCMIKQMDF-DICXZTSXSA-N 492.004 4.957 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)Nc1ccccc1 33657263 ZEQCEIOILVIDCF-AFUMVMLFSA-N 474.498 4.591 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1-n1cccc1 59101886 RAQLOMIYWVHREM-PCLIKHOPSA-N 471.429 4.850 50 40 JJGB COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccccc1 105793432 DSEHISVLISOQRX-MUFRIFMGSA-N 465.509 4.538 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc([N+](=O)[O-])c1 107818856 FTLLGUZPRWBGPA-JAIQZWGSSA-N 487.468 4.816 50 40 JJGB CCc1cccc(CC)c1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408644160 GWYCPOKSZDONDW-CTNGQTDRSA-N 459.945 4.727 50 40 JJGB Cc1c(Cl)cccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408645773 IGNGJUBMPPURIL-DNVCBOLYSA-N 452.309 4.564 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCCC)cc2)c(OC)c1 8717175 GJGHGRXJKVYSSN-BUJGOANSSA-N 460.530 4.702 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1c(F)cccc1Cl)c1ccccc12 9210888 RZUONBBAXUUTOF-HHHXNRCGSA-N 497.917 4.788 50 40 JJGB CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2OC)nnc1-c1ccc(Cl)cc1 12466786 OYEOISOAJXLSKZ-IWNKUBCDSA-N 455.971 4.535 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 20232982 SEXYBLFWFPNACW-ZVHZXABRSA-N 462.358 4.582 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1 107784236 FSOYETQIHGGLIB-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1 408606399 LWDZJUJPNSLZJE-HXUWFJFHSA-N 463.965 4.978 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 408794911 KLUGZVSBZKMIQC-XSFVSMFZSA-N 457.442 4.506 50 40 JJGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)cc1OC 408814689 GJIQFBWUSLOGTB-OVCLIPMQSA-N 459.727 4.977 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)CC1 408861855 DUISVSUQMGNINC-FDAWAROLSA-N 496.533 4.800 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2cccc(C)c2)cc1 409065877 VAMAKMNEFCCQSA-RDRPBHBLSA-N 485.609 4.798 50 40 JJGB N#C/C(=C/Nc1ccc(S(=O)(=O)/N=C(/N)O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 9075503 HKLUVINKKHEMJE-AQTBWJFISA-N 475.555 4.501 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc(O)c1 9198600 ZINMUHWQWZBFKA-ITYLOYPMSA-N 457.559 4.581 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 23217335 VWWQMKIPTZCJCG-NGIIGVMLSA-N 469.541 4.887 50 40 JJGB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 36235415 HNHIMKCYJWPGFO-AJSAZLRBSA-N 481.383 4.981 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccc(OC)cc3)o2)cc1 58915584 JPTYBZAERWGALR-AFUMVMLFSA-N 452.532 4.515 50 40 JJGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc4c(c3)C(=O)c3ccccc3C4=O)o2)C1=O 101230942 ZSCLPOCJRSPGSU-HYARGMPZSA-N 474.472 4.500 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC 408725673 MGOUDYILLIOOKN-ZSOIEALJSA-N 460.284 4.700 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 408744816 NETDJGKQWLROHW-UYRXBGFRSA-N 460.490 4.955 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 408816190 SUDZYZQNVKSOTE-XSFVSMFZSA-N 475.932 4.589 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccc(C)cc1 408888990 AHWXKPLOOVDWAF-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 408958232 XYDYZVZJEOHTNF-UUYOSTAYSA-N 485.250 4.822 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 2056716 IYQVPDMRIOLQMI-QYPIABMHSA-N 492.357 4.557 50 40 JJGB COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 28217961 GNJCTTQJEPIBRX-VULFUBBASA-N 499.361 4.574 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1 28296644 HMOTUCWINSDWMD-RDRPBHBLSA-N 454.530 4.775 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(SC)cc2)c(C(=O)OCC)c1C 33741515 DDXRDFTXCYHNHS-LFIBNONCSA-N 457.573 4.851 50 40 JJGB C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 97664032 GXFWIUAHRJHXCB-FNBYNPPRSA-N 460.361 4.775 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1O 408724992 FSMCINVERLLZCZ-DHDCSXOGSA-N 462.287 4.504 50 40 JJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Br 408823761 GENKWNATIJVHAW-RIYZIHGNSA-N 475.726 4.677 50 40 JJGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 408850972 SQSSAKYHHOWYKI-YSMPRRRNSA-N 463.490 4.527 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1 408864376 ZIADOIIUBUJPTO-RDRPBHBLSA-N 483.593 4.592 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408886147 DTBYGRNWMYPCKE-KGENOOAVSA-N 476.554 4.934 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409188668 JJRIXBFPBJKULT-LGJNPRDNSA-N 472.328 4.783 50 40 JJGB N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 1421860 QOWSLYKAWASTQC-HSZRJFAPSA-N 484.865 4.770 50 40 JJGB COc1ccc(C(=O)O[C@H](c2cc3c(cc2Br)OCO3)[C@@H](C)Br)cc1 1628454 FNMUELKAMVRZFZ-QGHHPUGFSA-N 472.129 4.868 50 40 JJGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 2253675 UAKLLKRQDNAFLU-FQEVSTJZSA-N 452.341 4.924 50 40 JJGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2[N+](=O)[O-])c1 3090319 GPMNBOVXGMHSKB-ZMOGYAJESA-N 482.290 4.649 50 40 JJGB C/C(=N\NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])cs1 8402403 NHNCEWLUEJYHLQ-KBQGOJOJSA-N 460.515 4.524 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1C#N 8812891 XAVQIWOLQNDFIR-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 9323868 NVGAEDDNHWHLQC-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC 28217623 XJBGPQVDQIANJE-AFUMVMLFSA-N 470.367 4.567 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 33649207 ZMSKDMKZNZMMKB-RDRPBHBLSA-N 482.540 4.697 50 40 JJGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc21 208203407 WMPANCIOHDDWCD-JMKVTYIUSA-N 461.347 4.777 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408781691 FGAKNNOJESDTSL-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC#N 408792038 GWRQKLIMXSYIMM-LICLKQGHSA-N 454.324 4.913 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 409123743 IKDLUFTTXCWGRZ-NRFANRHFSA-N 451.320 4.843 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 934993 IJPISXVNTLAGTA-YMGIJWJESA-N 457.555 4.639 50 40 JJGB Cc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccc3c(c2)OCCO3)c(O)c1 2317017 OZPUFGOABDHRKG-SJORKVTESA-N 456.130 4.554 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1F 2331804 KWUYJXBXXUDASM-VULFUBBASA-N 465.941 4.969 50 40 JJGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O 3114979 TXEYVFZPXGEYOG-SSDVNMTOSA-N 462.141 4.763 50 40 JJGB Cc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)cc1C 9057141 DZVLGSPSCSLLEP-CVKSISIWSA-N 468.351 4.683 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)ccc1O 9308726 ANZYEYOYZCCSEM-QHCPKHFHSA-N 466.497 4.588 50 40 JJGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])s2)cc1 12467632 OEZXBAYBDZDBNP-BAEPCCQGSA-N 485.616 4.955 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 12500161 HNAJJRYJLHODFI-CPNJWEJPSA-N 474.900 4.668 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12 16157903 NNDQBFDFDKOTDS-GBCYJOOSSA-N 468.509 4.641 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 34703595 CTTYQHFBWMFINS-QFEZKATASA-N 453.882 4.529 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 34706795 FRHMUMMJHRUKKO-UXHLAJHPSA-N 489.547 4.803 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 59377045 RJMNVYGNFXFKMH-RDRPBHBLSA-N 483.593 4.592 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCC 408532814 RDIUEDMXHJADKM-KBKYJPHKSA-N 488.304 4.828 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 408718648 OGSUFMUBBRPYMO-RHANQZHGSA-N 487.556 4.971 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408792962 MTMDXNWMPPERNW-UDWIEESQSA-N 490.899 4.949 50 40 JJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408859496 YBMJNKVJWBFAHK-GXHLCREISA-N 477.904 4.998 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccs1 408910365 KLNCDLVZPWKCBJ-HZHRSRAPSA-N 461.996 4.522 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2cccc3ccccc23)cc1 409044109 NUHGZWGMWZAZMY-ISLYRVAYSA-N 450.494 4.842 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC 409313381 OKXOOLKCORSPHZ-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1OCC 409316870 RJAPETNWJLTZPD-JJFYIABZSA-N 498.171 4.645 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 6015252 UZSXRCPQBMKWON-JOCHJYFZSA-N 487.610 4.850 50 40 JJGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O 35363507 FAYOPVFMHFTQGB-AUEPDCJTSA-N 499.178 4.729 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccccc1 408880993 LONHEPHUYNKWJM-CVKSISIWSA-N 497.345 4.840 50 40 JJGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1nn(-c2ccccc2)c(N)c1C#N 408949191 SDGOKAHWFHKQJS-SSZFMOIBSA-N 455.319 4.944 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 409266648 QQXZCJMDWXMRCS-HMAPJEAMSA-N 483.524 4.653 50 40 JJGB O=C(N/N=C/c1ccc(F)cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 1415727 GVXCSOUQLXAKJD-KBKYJPHKSA-N 459.428 4.918 50 40 JJGB Cc1cc(Br)c(NCC(=O)N/N=C/c2ccccc2Cl)c(Br)c1 3148250 FMEWPERIJDGREZ-ODCIPOBUSA-N 459.569 4.736 50 40 JJGB COCCn1c(C)cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1C 9631518 IPAMPHAVEBENAD-CVKSISIWSA-N 461.591 4.684 50 40 JJGB C[C@@H]1CCCN(c2ccc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2[N+](=O)[O-])C1 13124241 MFSRCSDTQYRLEL-MIQLPHMESA-N 453.506 4.535 50 40 JJGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 19949036 CPAZPPQCOLRATC-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 20764051 ZIJYWVZOJWOALP-WSDLNYQXSA-N 458.268 4.780 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 27015476 NSMLXKSIDAYAFJ-AFUMVMLFSA-N 490.317 4.974 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)n[nH]2)cc1 32679263 KETBAAVMZQXLGY-MWLSYYOVSA-N 498.539 4.523 50 40 JJGB COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 33675369 PXAHRPHQLNDCSY-KGENOOAVSA-N 455.514 4.875 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59250532 ICRXLDYHPMGCAL-KIBLKLHPSA-N 474.300 4.561 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1 408744532 FUZHAKIAXBRPKL-UNOMPAQXSA-N 460.490 4.955 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1C 409013407 NGEOEYCRRVGHBQ-MNDYBZJGSA-N 499.489 4.733 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409251129 OMMQDRMMBASBIR-BLLKKSLCSA-N 491.975 4.821 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409252674 UOKJADOWBWDESK-STZFKDTASA-N 485.540 4.884 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)o1 409394011 UILINFRCUVURNE-KVSWJAHQSA-N 469.419 4.852 50 40 JJGB N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 8816973 YOBVLONUCAFUEE-JLHYYAGUSA-N 461.415 4.709 50 40 JJGB CCN(CC)c1ccc(/C=C2\S/C(=N\NC(=O)c3ccc(Cl)cc3Cl)NC2=O)cc1 9010256 DABWJKIJVYCVEK-WQRHYEAKSA-N 463.390 4.745 50 40 JJGB CC(C)(C)c1cc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[nH]n1 9311099 MOQNTYZIDLDMLJ-KRUMMXJUSA-N 451.530 4.541 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 9720537 GIJSSXNKDZFSHN-FHNJUKSESA-N 454.574 4.797 50 40 JJGB O=C(NNC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 13027135 IGMIIGJNQZGHJH-UHFFFAOYSA-N 490.310 4.722 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCC(=O)O 16194870 HTUZDYAOJODJHB-IUXPMGMMSA-N 481.302 4.620 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)c(C)c1 16700783 MABNAYXEVAZQRE-PXLXIMEGSA-N 463.541 4.865 50 40 JJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1OC 34767354 MNCAWNBJHGCJKY-ZFILKEQLSA-N 475.885 4.953 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 58918213 YFVGAGYRWKMURG-MFKUBSTISA-N 488.034 4.716 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)c1 59104684 QCWPCAOCUQZFDA-POHAHGRESA-N 487.091 4.591 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1OC 83314650 NDXHLPNNDBCOLZ-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB O=C(N/N=C\c1ccccc1Cl)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408732447 RQENWZYDBMIWCA-WKIKZPBSSA-N 462.962 4.743 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1O 408762133 CXDTZBQUMBENTF-WUXMJOGZSA-N 468.678 4.595 50 40 JJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 408776809 ZIPYUQGBWAHHCT-WJDWOHSUSA-N 458.356 4.858 50 40 JJGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccccc2)cc1 408925836 QVKQKDQMZRQXNA-UHFFFAOYSA-N 485.650 4.989 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409008069 SQUASHCRSSYJGY-VULFUBBASA-N 496.361 4.548 50 40 JJGB Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3ccccc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 1052109 COIOZQOOOWTTIW-JOCHJYFZSA-N 474.586 4.684 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 2077024 GRKWWUUBYNXFFB-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2304920 BIILIZKIZQXRAT-AUEPDCJTSA-N 477.698 4.590 50 40 JJGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c(C)c1 2636744 HJVKVKHMLQSRPI-LQKURTRISA-N 469.566 4.929 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(Br)cc1 9216547 HRTZCZWNMQVPAZ-WSDLNYQXSA-N 478.803 4.531 50 40 JJGB COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 19949994 BUYIADSPZHBKFT-VFCFBJKWSA-N 493.629 4.728 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c(C(=O)OCC)c1C 408547124 RKAYVUWFESDZJT-XNTDXEJSSA-N 450.516 4.610 50 40 JJGB Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568384 JHQVQPUHEAOSDM-PCLIKHOPSA-N 455.649 4.993 50 40 JJGB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OCc1ccccc1 408609325 ZIXPRANUVKFFFE-HSZRJFAPSA-N 490.585 4.611 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)c1 408765056 ZCXIYGRZOLPYSF-HMMYKYKNSA-N 462.527 4.707 50 40 JJGB COc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408846471 NNNQPAHXVNYWNF-NKVSQWTQSA-N 482.128 4.739 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCC 408885321 ZIQKNLKEHHQOBX-RIYZIHGNSA-N 490.310 4.709 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 409023884 DWVPRWRPBVYKKX-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409068616 HIZYYZKUTBNRLF-QGOAFFKASA-N 452.919 4.962 50 40 JJGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@H]1c1ccco1 409125211 JKUTXJGVNCMTQP-LLVKDONJSA-N 455.845 4.662 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccncc1 9007817 HRSNJCJVQIBZEQ-CIAFOILYSA-N 450.014 4.511 50 40 JJGB Cc1ccc(C[C@@H](Cl)CNC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 9368729 DJDXXMINNUVEPJ-JOCHJYFZSA-N 468.022 4.533 50 40 JJGB N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19840349 LSWCTZRLQBLWTE-QOMWVZHYSA-N 473.580 4.917 50 40 JJGB O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408608888 QGIIBXZMMQYYFM-KRWDZBQOSA-N 498.352 4.663 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1C#N 408912309 MZUAPQJTWGVNKZ-RWPZCVJISA-N 463.921 4.718 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(F)c1 408965082 GBLAMKBIPSYRSJ-KKMKTNMSSA-N 470.273 4.942 50 40 JJGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2ccccc12 409016699 RIRAUFZBXAIIHQ-QNBNLKTOSA-N 451.954 4.553 50 40 JJGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409039552 GZNCWVNSFAWWMD-RHANQZHGSA-N 483.524 4.616 50 40 JJGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409044258 UYTCZGGLQGWNAT-NTEUORMPSA-N 460.125 4.769 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2cccc3ccccc23)cc1 409047913 VEPSVHUWHIHXDJ-OBGWFSINSA-N 466.493 4.542 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccccc1 409072269 MWQISXBRAQBTRI-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409231362 CJIVOVVVDNRZNU-MUXKCCDJSA-N 484.911 4.848 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)cc1C 409273302 XAFNBCBUBCYMGD-WGARJPEWSA-N 480.362 4.847 50 40 JJGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)C(c1ccccc1)c1ccccc1 672410 ZMERVZHGNYBGJC-UHFFFAOYSA-N 489.369 4.961 50 40 JJGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2357489 CTCHJZVHMVQGIX-YMGIJWJESA-N 473.529 4.899 50 40 JJGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1 3081434 KZEVMMQFLHSVCU-SSDVNMTOSA-N 462.141 4.763 50 40 JJGB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(NC(=O)Nc2ccccc2)C(C)(C)C)cc1 4109979 FGUJIWVJIKAPIC-UHFFFAOYSA-N 480.590 4.773 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 8812246 CDSQFUFSCXWHSQ-FSJBWODESA-N 461.278 4.602 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 9270767 NVZUKYGJIXAREM-VXKWHMMOSA-N 498.004 4.573 50 40 JJGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2Cl)C2=C1C(=O)CCC2 13567771 GDAQQPOASHEZLU-XMMPIXPASA-N 465.340 4.713 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 20233150 BHYZAXAYKOBOQM-CVKSISIWSA-N 494.375 4.868 50 40 JJGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 33765923 QZSYSCILNWZQFF-PDGQHHTCSA-N 458.495 4.655 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c1 408542552 MDXGGDFDEHTFDI-MTJSOVHGSA-N 457.486 4.515 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c1 408730884 VHJUCZHFTSVXEP-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2Cl)cc1 408890756 YQXGZGBJYWQGNT-LGJNPRDNSA-N 495.944 4.951 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC#N 408983322 LJDMTRWPLBORSH-ZSOIEALJSA-N 460.715 4.868 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409026690 VGURJECQWXFCEX-FGAYPWGZSA-N 495.601 4.571 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 409216528 JAELHLRUESHBFX-LGJNPRDNSA-N 484.961 4.868 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 409314871 HSVDITUAVIERLL-YUMHPJSZSA-N 493.516 4.744 50 40 JJGB O=C(CCCOc1ccc(Cl)cc1Cl)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1 3170116 PCWFFWACNBYGSE-JFLMPSFJSA-N 472.328 4.917 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204274 OCOJMGPPQNFPTP-CIAFOILYSA-N 454.162 4.693 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OCC(=O)O)c(Br)c1 16362905 BTRKJQQPUNFZNC-MLPAPPSSSA-N 494.139 4.529 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccco1 20028865 UEUGYZDYKKOLPJ-HSZRJFAPSA-N 463.559 4.639 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 20240593 BOGQIBTYGHVOBI-TWKHWXDSSA-N 471.601 4.922 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Br)c2)cc1 59401652 SEHREEAELWWGPY-UHFFFAOYSA-N 492.439 4.779 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)c(C(=O)OCC)c1C 107681035 BZBOLUIXUQEEMZ-LFIBNONCSA-N 464.543 4.918 50 40 JJGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1 409215218 YWSZSCRGBYKXPI-HAHDFKILSA-N 467.525 4.953 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccccc1 661022 FQLDWUMCBYVYFB-OAQYLSRUSA-N 481.350 4.677 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccco1 20029157 JABBUMJUGLLQLE-QHCPKHFHSA-N 463.559 4.694 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)c([N+](=O)[O-])c3)c2C)cc1 20197774 DNMWOAVAUZOJCJ-JVWAILMASA-N 492.532 4.732 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)c(Cl)c2)cc1 20207190 QUZVYFPKSCTWEX-ZMOGYAJESA-N 476.023 4.672 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)CCc3ccccc3)cc2)CC1 20240568 DFZMRGSAIXQLDV-JJKYIXSRSA-N 470.617 4.756 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1 32577064 HOWUBBWHXBDFFJ-NUJZUDFISA-N 496.514 4.955 50 40 JJGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(Br)cc1 59459329 JXEKJMDMYUEIBJ-SSDVNMTOSA-N 466.173 4.620 50 40 JJGB N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccccc1I 408765460 PVSMPRAMKFJBPX-QINSGFPZSA-N 484.249 4.649 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 408781879 FRZHIGCAGQDDBR-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1F 408938280 LDKCGEKDQUNSSC-IPBVOBEMSA-N 480.849 4.994 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1 409266415 YOPDVENPKBQXAK-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(N)=O)N1 841900 SYUXNOMLWWONNG-FQEVSTJZSA-N 473.385 4.547 50 40 JJGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 1474702 KSHQVQHTDKPHDY-VULFUBBASA-N 462.966 4.534 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Br)cc2)o1 1834851 ZQPDMPHWSUKGSL-ZMOGYAJESA-N 496.390 4.841 50 40 JJGB O=C(N/N=C/c1ccc(F)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20059456 RHPKANCYASHIPF-VUTHCHCSSA-N 487.556 4.985 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 23411058 ZXUIFHPPIQDMGI-OGLMXYFKSA-N 460.530 4.741 50 40 JJGB Cc1cc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(C)c1Cl 30937454 UJBCXKNWOGGLCR-LGJNPRDNSA-N 481.892 4.613 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccc(Br)cc1 169888166 MZZHBLDLPISUSQ-MXAYSNPKSA-N 454.324 4.586 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3cccs3)c2C)ccc1I 408776773 RFZPTJGJGRIWIN-NHDPSOOVSA-N 463.344 4.833 50 40 JJGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1 408818779 YWOLQNCSINULGT-MTJSOVHGSA-N 477.948 4.766 50 40 JJGB N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)NCCc1c[nH]c2ccccc12 408956061 VTQWEAYSNMAYAT-AUWJEWJLSA-N 489.167 4.664 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 409026369 NAOWPOVSJCAOBT-HPNDGRJYSA-N 463.603 4.656 50 40 JJGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(CSc3ccccn3)c2)C(C#N)=C(N)O1 850016 FYVOSEZMILRUGT-QFIPXVFZSA-N 465.575 4.807 50 40 JJGB CC(/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)=C\c1ccccc1 2239279 YTBKHUDIENNPKC-SILQRRHJSA-N 468.582 4.992 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 3214214 GBBBQLMOMOSTAH-WKULSOCRSA-N 498.926 4.828 50 40 JJGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 9731627 RQNOSJKYRRXNCX-BRJLIKDPSA-N 453.333 4.701 50 40 JJGB N#Cc1ccccc1COc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1 10118617 VPHSAXRHXRHXQE-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cc2OC)cc1OC 13096175 NEMJSBGQVPHWRB-JFZBGLEKSA-N 478.545 4.533 50 40 JJGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(/C)c1ccccc1 15930403 OMQAVHNDFJYOMB-PBRFOAMMSA-N 469.014 4.751 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(F)cc1F 20258613 RJHKIGOULCOZRJ-LICLKQGHSA-N 478.451 4.869 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918703 IBPYWRSHCMKPAP-CVKSISIWSA-N 494.375 4.868 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 59105086 OLGJTRTWLODIJY-UNOMPAQXSA-N 464.363 4.933 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OCC 59335693 WRIIDFBSCJRMES-UNOMPAQXSA-N 483.362 4.974 50 40 JJGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 408609042 JFANFCAZGIQQDE-OGLMXYFKSA-N 463.509 4.672 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1OCc1ccccc1 408612588 VYFIJOQGAYSPIC-OKCVXOCRSA-N 493.991 4.818 50 40 JJGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408743520 ATHKWGCSASMSOZ-ZROIWOOFSA-N 492.700 4.511 50 40 JJGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 408784556 UQPHZRIZDFTSBE-VKAVYKQESA-N 462.893 4.764 50 40 JJGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 408804792 ZKZFZNBRDYBTTC-SFQUDFHCSA-N 457.324 4.960 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1cccc(C)c1 409026220 JGELHRXTHSAVJB-JFLMPSFJSA-N 488.569 4.732 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1C#N 409220645 CQWQKPXFCGLTOV-XYGWBWBKSA-N 451.526 4.802 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OCC)c2)cc1OC 409317118 OZQYLPKMIGHKNZ-MYYYXRDXSA-N 491.382 4.974 50 40 JJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C 409383691 ZVXDMWMKMDXQGT-UNOMPAQXSA-N 484.341 4.794 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(Br)c1 1081868 TWBBVWTWXXMCIJ-AUEPDCJTSA-N 477.156 4.633 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CSc1ccccn1 8691646 IIBYMSDLXTUELF-ZMOGYAJESA-N 456.365 4.909 50 40 JJGB COc1cc(/C(C)=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc(OC)c1OC 12312175 CKGKHUMLDWPORT-UXHLAJHPSA-N 485.540 4.994 50 40 JJGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2CC)NC(C)=C1C(=O)OC 20348652 JUSUERYMYXMFCY-RUZDIDTESA-N 491.613 4.889 50 40 JJGB CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 27563872 FQWGYAGBMQTHTN-QZZJTICTSA-N 472.497 4.529 50 40 JJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)N1CCN(c2ccccc2)CC1 59333405 UQDDAPFCCFXXNO-VLGSPTGOSA-N 455.543 4.563 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 408795555 LZQBMKMBNGJFEO-XDJHFCHBSA-N 459.477 4.788 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 408829886 MKNXBYFLNBPWKE-XHLNEMQHSA-N 456.590 4.562 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(I)c2)cc1 408898497 LWLKJUOYNQYMOT-ZVHZXABRSA-N 484.293 4.583 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408924470 JBFSEXVYHJZYSA-TURZUDJPSA-N 493.629 4.828 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967537 TZZSJWWRMRWUDT-YBEGLDIGSA-N 489.384 4.594 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(I)c1 409018564 XFKXVXOJENPLKS-OEAKJJBVSA-N 458.299 4.997 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409248192 CKBVZJIOKOHVHS-KBEKLNEQSA-N 475.976 4.985 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 409269208 HBUULHUAWNUBBU-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1ccc2ccccc2c1[C@@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N 1251254 IZNJLNXVBGLSPH-NAKRPHOHSA-N 471.564 4.774 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc1 3038158 UOWHCARSOSKSMH-LSHDLFTRSA-N 484.188 4.744 50 40 JJGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)Cc1cccc2ccccc12 9425631 XDAIXFMDZAXUDN-UHFFFAOYSA-N 463.331 4.524 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc(C#N)c1 20760790 ABXKWXXTLWGIQM-VULFUBBASA-N 464.319 4.672 50 40 JJGB O=P(NC(=S)Nc1ccccc1)(NC(=S)Nc1ccccc1)N(CCCl)CCCl 104145478 BARXUPKIVWOGJH-UHFFFAOYSA-N 490.422 4.847 50 40 JJGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccn3-c3ccc(C)c(Cl)c3)oc12 409011306 FZVKMSNSGMUJEB-WYMPLXKRSA-N 452.854 4.866 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl 409027246 BVWSMEUDIFDHQV-DHRITJCHSA-N 496.803 4.992 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409044000 AJHRJPPKHLWNCC-LDADJPATSA-N 491.931 4.920 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409052620 HJICJVDMTSICQH-SSDVNMTOSA-N 484.721 4.590 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc(C)c3)cc2)C2=C1CC(C)(C)CC2=O 409126626 LTSKIJYGRALBGA-AREMUKBSSA-N 471.601 4.957 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccc(Cl)cc1 409206041 HAPGEWPXVVMIRT-GMSPJADCSA-N 477.948 4.954 50 40 JJGB Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1421936 BRCHDWRAYVLGFF-AREMUKBSSA-N 476.939 4.835 50 40 JJGB COc1cc(N=C=S)ccc1NC(=O)c1cc(Br)cc(Br)c1O 1566139 HCHXQKDTUULTMR-UHFFFAOYSA-N 458.131 4.912 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 3017258 MBGFAYFQMMTYNJ-QDCCHXAWSA-N 492.373 4.531 50 40 JJGB N#CSc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 8741096 QQGLLSMYWLDGBL-UHFFFAOYSA-N 478.515 4.656 50 40 JJGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 20247248 LCGQFVZHLAKQHY-AUXZNKLVSA-N 474.542 4.523 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2 408775331 SGJPGRZFJBFRNU-IUXPMGMMSA-N 487.350 4.587 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408880066 ITINUJXKCMUVSU-MHWRWJLKSA-N 492.831 4.921 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 408906572 HQIWUGIGPALHSK-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/C=C/c1ccco1 2224386 JSQKDJUYJMRPCT-PUOCKCQTSA-N 490.610 4.827 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 2319527 PWBFIHXTXKTDFW-LSFURLLWSA-N 454.770 4.685 50 40 JJGB C[C@H]1CCc2c(sc3c2C(=O)NC2=C(C#N)[C@](c4ccccc4)(C(F)(F)F)N=C(O)N23)C1 3220715 YDGBWDUYOIUXPD-WIUDPPPLSA-N 458.465 4.543 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1-c1ccccc1F 3381254 SUAGTPJLVGUPNL-LDADJPATSA-N 483.446 4.924 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC[C@H]1CCCO1 8721940 RLIKORMCIUSBMZ-RPXHZFJKSA-N 475.770 4.884 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc(OC)c1O 9308657 NRWJTWJBOWDRQR-HSZRJFAPSA-N 496.523 4.597 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58914101 ZTQHDSBLDADBIR-MBTHVWNTSA-N 471.388 4.600 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OCc1ccccc1 107944055 KNAOBYSHJJEMMT-VULFUBBASA-N 451.910 4.650 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 408790316 VNXZXEBKSPRGTF-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB O=C(N/N=C/c1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408973395 MKCLXSYFMSCDLH-YABZZONLSA-N 463.990 4.921 50 40 JJGB O=C(CSCc1cccc(Br)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 409001683 QHRROWZZRZLGPB-YDZHTSKRSA-N 491.411 4.731 50 40 JJGB CC(C)(Br)[C@H](Br)CC[C@](C)(Br)[C@H](Br)CO 5940634 KNNMIDQUZTUBJU-MRTMQBJTSA-N 473.869 4.613 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)c1 8811032 XZFCSMXGUQWBLD-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB Cc1ccc(-n2c(SCC(=O)NNC(=O)NC3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 9090493 PTHKVUPLIUBZHC-UHFFFAOYSA-N 499.040 4.651 50 40 JJGB C/C(=N\NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 16102229 MPDMINWINCZHMS-JJNQJIGTSA-N 480.612 4.943 50 40 JJGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc(O)c(Br)cc1Br 67192619 YWEXHIJYQIYHBO-CGOBSMCZSA-N 496.970 4.753 50 40 JJGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1ccccc1Cl 96466284 FIJPQKOSCBTAMW-YVMONPNESA-N 477.483 4.846 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1 408676648 LVOQEGMYOIZVAA-PCLIKHOPSA-N 475.461 4.659 50 40 JJGB CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 408718182 OSFIKPVZTZYLRK-CVKSISIWSA-N 494.345 4.781 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408757265 XRWIVFOHTZVIJN-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OC(C)=O 408762241 AICJZSPKEPWNOO-SXGWCWSVSA-N 471.307 4.521 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 409056029 KMKQCHWPSYUBNP-QGOAFFKASA-N 461.905 4.912 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409191666 KGYSCSNDZPRWHN-ZDLGFXPLSA-N 454.910 4.592 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409270494 QDSHAHVRTVYZGZ-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 409325546 ZVPXVUNTDNELDS-MYYYXRDXSA-N 494.460 4.857 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409362099 FNIKESYQGRLVKG-PKAZHMFMSA-N 461.518 4.828 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)c1 3117060 HVECDFKYQDHFOW-VULFUBBASA-N 466.335 4.539 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1C 9464325 KBJGWOQVISVUOA-UDWIEESQSA-N 478.574 4.736 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 13563419 PXSWCNCRERQKFJ-USHMODERSA-N 499.596 4.801 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 19948334 UDCXIUBFLSIACW-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB CCc1ccc2c(Cl)c(C(=O)N/N=C3\C(=O)Nc4cc(Br)ccc43)sc2c1 20213295 RCHVJXUZTZBPRP-UHFFFAOYSA-N 462.756 4.966 50 40 JJGB COc1ccc(OC)c(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1 30743163 UTQLSUXTFOHSRX-YVNNLAQVSA-N 495.051 4.743 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 40138831 SJUTUIWLVHXXOA-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB Cc1c(Br)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Br 201106271 XQQQPLIBQWKGRB-ODCIPOBUSA-N 459.569 4.736 50 40 JJGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408567479 FEXFYFTWLIOIDJ-AFUMVMLFSA-N 482.583 4.741 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC#N 408763027 QXXLICRUCMJELL-QPEQYQDCSA-N 491.139 4.668 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409065897 NZVVUADRTUXFDI-LFIBNONCSA-N 483.889 4.562 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Br)cc1 409136804 ZPTRWBGKHUZABP-OAQYLSRUSA-N 481.350 4.677 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 1813584 ICIOKPKUYANKKW-SSDVNMTOSA-N 478.803 4.623 50 40 JJGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1C 2744396 KRDYYNXWEXQHHU-COOPMVRXSA-N 492.373 4.512 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)c(C)c1 3027024 RMKHMAHUKHNAPJ-ODCIPOBUSA-N 490.579 4.711 50 40 JJGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 8427481 IYMLGHZNRRMDGD-MFKUBSTISA-N 482.880 4.818 50 40 JJGB CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)[C@@H](c2ccc(Cl)cc2)C1 8782832 HFXDNIXLVSVVBD-SNKBBJNUSA-N 458.942 4.538 50 40 JJGB CC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC(C)(C)O3 9050661 VUYALLXGVKCVKU-QQTPIFBVSA-N 483.609 4.650 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 9909998 CIZOHIQWEIQESR-UQNFDQQLSA-N 471.376 4.747 50 40 JJGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 13065829 JTCWOXMYJLGXLT-QHCPKHFHSA-N 463.534 4.635 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(Br)cc1 15133658 YYPRSGMSYWGCPE-LGJNPRDNSA-N 482.334 4.534 50 40 JJGB C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1 15133910 AVLSQWSZVUTGMG-AWQFTUOYSA-N 461.099 4.583 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)c(Cl)c2)cc1 20207130 ZVIKIASXXRNWTE-UHFFFAOYSA-N 462.015 4.979 50 40 JJGB CCn1c(SCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1 32576924 OZUUOJHTUVGMPE-PKAZHMFMSA-N 471.586 4.786 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(Br)o1 34690736 LNWHOLTVYZHCAW-AWQFTUOYSA-N 452.102 4.730 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1F 59536192 ROSVQNJXUKXNAF-DHRITJCHSA-N 457.299 4.940 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408612295 UVFSQFNEHYZEKU-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408764550 XKDBYDDSYOOLCN-LGJNPRDNSA-N 472.328 4.783 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(C(F)(F)F)c1 408784566 UXOCFACXYAGOCQ-WKULSOCRSA-N 499.514 4.928 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OC 408828334 DQFFZIMCVWHVQM-AWNIVKPZSA-N 451.306 4.964 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC 409050892 CHNBVCBNPXDQCQ-FSJBWODESA-N 498.748 4.980 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccc(C)cc1 409123029 DIIPBFPYBKKGAN-JOCHJYFZSA-N 495.377 4.985 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(SC)cc4)CC(=O)N3C2)c(OC)c1 2208670 OOBHWHIREXBVLK-SFHVURJKSA-N 453.589 4.645 50 40 JJGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCC(=O)OC 408542600 JXCWJNBSIRRWAY-PXNMLYILSA-N 484.350 4.957 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408768328 WDTJPDZQHBWZAN-CVKSISIWSA-N 469.994 4.611 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408771396 GDYUPDWXDVLEFW-SZXQPVLSSA-N 463.603 4.854 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccccc1 408856942 LTNJANSXFMBDMV-AFUMVMLFSA-N 454.324 4.586 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccc(Cl)c2Cl)c2ccccc2)cc1 408978471 IOKAPVDRJIXCHI-YNYZQSIGSA-N 490.412 4.862 50 40 JJGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)C(C#N)=C(N)O2 409126827 PJEFXXHNIJBDIY-IBGZPJMESA-N 471.742 4.931 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409192201 VOYLMLRWYADKOV-ODLFYWEKSA-N 468.937 4.982 50 40 JJGB COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c2)c1 409227918 XISNEVJADNILFO-UHFFFAOYSA-N 493.519 4.931 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409263482 HDYUWBYSMYLLRJ-ATVHPVEESA-N 476.876 4.811 50 40 JJGB N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)NC1=O 2360380 UURIDEGFMHPWLW-LJQANCHMSA-N 452.879 4.808 50 40 JJGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(OC)ccc3Br)cc2)cc1 3344980 YSCBQYXDIDSWQD-UHFFFAOYSA-N 499.361 4.510 50 40 JJGB O=C/C(=C\Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1)c1nc2ccccc2o1 8425508 MRNJWMCBHLBFQS-FOWTUZBSSA-N 457.873 4.929 50 40 JJGB Cc1cccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2Cc2ccccc2)c1 12496352 AGZBWTJEKXURRC-UHFFFAOYSA-N 492.004 4.509 50 40 JJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC 34878783 RBKOATLBZCHMQS-FSJBWODESA-N 457.895 4.638 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)c(C)c1 58913105 OCXDZOPVFCEWHR-DHRITJCHSA-N 467.367 4.562 50 40 JJGB Cc1cccc(COc2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Br)c1 110240558 JFJOKLPQQADNTM-QFEZKATASA-N 482.334 4.938 50 40 JJGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2cc1C 408602304 BNTTYJXDAIWDFX-HKOYGPOVSA-N 491.595 4.972 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1 408613081 ZGVZQGDMLWTSQD-LJQANCHMSA-N 479.964 4.814 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2C(=O)O)c(Br)c1 408926756 YFFWGAXRTZERJY-XYOKQWHBSA-N 464.113 4.764 50 40 JJGB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NN(c1ccccc1)c1ccccc1 408999885 STRJAXQLRXVIIW-GBXCKJPGSA-N 451.592 4.558 50 40 JJGB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)n1 409102059 UQTMOEYYKNRYFO-NTEUORMPSA-N 467.894 4.749 50 40 JJGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 409132091 OOEYUWHXTDMXFQ-OAHLLOKOSA-N 474.380 4.624 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@H](CO)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953119793 PRKOBXIKZBKZHU-XZOQPEGZSA-N 483.725 4.571 50 40 JJGB Cc1sc2ncn(CC(=O)N/N=C/c3cccc4ccccc34)c(=O)c2c1-c1ccccc1 958230 MXQKUGBOMPOKOF-CCVNUDIWSA-N 452.539 4.737 50 40 JJGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccnc2)cc1 9113661 UCKZIKXFDJMBTR-SWOOFCMFSA-N 475.980 4.502 50 40 JJGB C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32 22564435 RLIDMCYUAMGURR-DEXQXJORSA-N 457.574 4.848 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1c(OC)ccc2ccccc12 408602729 DKLIDMYNYMCWDQ-DEOSSOPVSA-N 482.565 4.934 50 40 JJGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408605004 KFSGYZKVOIJLGL-HXUWFJFHSA-N 479.518 4.583 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409138811 IISPLEKZLYOLRY-QFIPXVFZSA-N 494.935 4.566 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)ccc1OC 409322833 YGOLFUCRLPJGCN-VYYCAZPPSA-N 482.920 4.788 50 40 JJGB Cc1cc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc(C)c1Cl 2135967 CXFDLKXSHUKAHT-UHFFFAOYSA-N 482.414 4.539 50 40 JJGB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)COc1ccccc1Cl 3299819 LSVAZCAJPVYFAP-SFHVURJKSA-N 478.298 4.675 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1 4062328 GQSXCEGHUUCWSZ-CCVNUDIWSA-N 457.452 4.592 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1 8811064 QPIDVYYPEXMWLV-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28213779 KRKWVSBAFCFLHH-UVHMKAGCSA-N 485.968 4.880 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 33958849 MIGFEQKQXIAMCK-LQKURTRISA-N 454.482 4.890 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 34837937 QLVZCRCGTIWCOK-OQLLNIDSSA-N 496.386 4.827 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 108076285 WJGXJDSWGIIXSA-MZJWZYIUSA-N 491.345 4.622 50 40 JJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 408748985 DEFDRYKXDUMFGD-DXJNIWACSA-N 495.579 4.575 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)cc1 408760278 VXIMOSYBBFUSPN-RWPZCVJISA-N 456.420 4.626 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)o2)cc1 408904771 OITVNZZMSOPRBM-FMCGGJTJSA-N 456.296 4.960 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C 408907468 OTXNZRKBVGJPRQ-VULFUBBASA-N 490.412 4.956 50 40 JJGB CN(NC(=O)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1)c1ncc(C(F)(F)F)cc1Cl 1382266 DBSQMSHNWPWVFM-CYBMUJFWSA-N 467.662 4.721 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccco3)n2-c2ccc(Cl)cc2)cc1 9186597 BAYKALJIRIVRIA-MYYYXRDXSA-N 481.965 4.822 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(CC)cc3)nc3ccccn3c2=O)cc1 13759610 BNMVHVMZGAYTCD-LVZFUZTISA-N 480.524 4.994 50 40 JJGB COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Br)c1OCCOc1ccccc1 13943048 SWAZVYFUDCOEFI-PCLIKHOPSA-N 490.398 4.881 50 40 JJGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2Cl)NC(C)=C1C(=O)OC 20348691 YYSSODARANESJA-QHCPKHFHSA-N 498.004 4.980 50 40 JJGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)N2C(=N1)SC(C#N)=C2N 408608060 UZMSLSDEVNPDLF-JOCHJYFZSA-N 460.559 4.602 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 408718055 FYKWUYZZOIRSBD-VULFUBBASA-N 494.345 4.699 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OS(=O)(=O)c1ccccc1 409066599 NNYJRKJSEQTTJI-GHRIWEEISA-N 468.918 4.662 50 40 JJGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@@H]4C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 1569985947 PGAGVJAYRDPYKY-XYFUNLQESA-N 484.976 4.668 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 2177615 HZQVNSDDYXGWTL-RDRPBHBLSA-N 485.609 4.798 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)cc1 2403080 RMLLOTCFBYREMT-KGENOOAVSA-N 475.501 4.581 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@H]1c1ccccc1F 20348437 FYSMULJFBYWEFR-XMMPIXPASA-N 493.560 4.631 50 40 JJGB O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(OC/C=C/Cl)cc1 20457941 KKSYFNBPSXRBQB-VZSWXNFOSA-N 453.789 4.964 50 40 JJGB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 59574257 DFXVZDUSOQREBS-YSMPRRRNSA-N 459.437 4.784 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 408766214 SQWMGAPVKLKGRX-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 408822842 XZBKXEHOUXLLQU-ZMFRSBBQSA-N 478.346 4.520 50 40 JJGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848363 UHLBNMXSLILQKO-AGNIOTCUSA-N 484.947 4.654 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408974208 XBNQDJXWDHVZMS-CZECRJHMSA-N 485.609 4.832 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCC(=O)OCC 408991955 RUBIOAOKZAFIPV-ODLFYWEKSA-N 468.937 4.873 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1 409376252 WIIVOWMBGMKGBZ-DEDYPNTBSA-N 475.932 4.589 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccccc1C(=O)O 1477434 CZMOZOSYUPLWGS-LGJNPRDNSA-N 478.961 4.679 50 40 JJGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1 1887915 SHHHDWGMZPYKMV-YDYXIROLSA-N 457.555 4.639 50 40 JJGB C=CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)c(OC)c1 9434733 FHYDUEZWKBXQOJ-PXLXIMEGSA-N 488.540 4.706 50 40 JJGB N=C(COc1ccc(Cl)cc1Cl)NNC(=O)C/C=N/OCc1ccc(Cl)cc1Cl 12338519 XCNCRCLCXVJXMV-GFXGDVFHSA-N 478.163 4.870 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCc1c(F)cccc1Cl 13128703 BCJBJUSJXYXRRA-IPBVOBEMSA-N 498.864 4.822 50 40 JJGB COc1ccc2ccccc2c1[C@@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N 19851847 IZNJLNXVBGLSPH-LSYYVWMOSA-N 471.564 4.774 50 40 JJGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)cc1C 20232587 XNGCETVZFRGGIB-OGLMXYFKSA-N 493.629 4.821 50 40 JJGB CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 35377603 RLHFDPHBXOJZJK-GHXNOFRVSA-N 466.129 4.862 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(I)c1 59502263 RGFQYFQTRVQMQN-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 97664011 HLNSKEJQGPGVCV-OJNRTJSBSA-N 465.859 4.902 50 40 JJGB CCOc1cc(Cl)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408567353 DAVDGFLCOGNLGL-FSJBWODESA-N 467.012 4.755 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Br)cc1Br 408772102 AWDUPMAOJHGXJJ-NVNXTCNLSA-N 494.183 4.794 50 40 JJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 408877358 VIBZWLBKBJNKSG-PGGKNCGUSA-N 490.372 4.988 50 40 JJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I 408986101 ZOBIPJJQBCBGPF-GDNBJRDFSA-N 476.701 4.811 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)S(C)(=O)=O)cc1 409028436 MJIAMZPALIWFOQ-VULFUBBASA-N 473.957 4.518 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1OCC 409051835 NHQVPWZRRVFGGZ-SSDVNMTOSA-N 486.737 4.814 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Cl)c2)cc1 409111701 DNUIUGIOUQLLGJ-UHFFFAOYSA-N 478.014 4.760 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(C)C 409129945 SVGILZGZYIMAMK-DEOSSOPVSA-N 467.610 4.503 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C/c1cc(O)c(Br)cc1Br 904007 GDCKUTNNKPYEIS-LSHDLFTRSA-N 478.140 4.600 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1 1904409 WPLYISQXYCWSNX-OPEKNORGSA-N 467.904 4.880 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2262280 BFWZHSWDEAMXEH-AFUMVMLFSA-N 492.948 4.738 50 40 JJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc1 4132435 UURYVNZPLLBGAB-UFFVCSGVSA-N 454.162 4.979 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1cccnc1 13563966 BKBNNOOYWHRSLG-PKAZHMFMSA-N 476.993 4.924 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20348546 KFMVXBDBEKSKQG-QHCPKHFHSA-N 486.037 4.947 50 40 JJGB O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=S)Nc1ccc(Br)cc1 28464757 FUDSFAXURNOALY-UHFFFAOYSA-N 471.424 4.691 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)cc1 34702021 YDKNXZAFZMMXPC-AUEPDCJTSA-N 461.261 4.884 50 40 JJGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 58913315 JOQORTHQSYRIPV-XODNFHPESA-N 456.468 4.819 50 40 JJGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1cccc(C(=O)O)c1 100797663 JCOMAFUUJOCYMV-JMIUGGIZSA-N 478.508 4.981 50 40 JJGB CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(C)=O)cc2OC(C)=O)cc1 103012729 QBXVVQQMFZQUOM-MTDXEUNCSA-N 498.576 4.806 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1 408728452 MPFFFSQRBAAVNB-LGJNPRDNSA-N 497.345 4.919 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408884879 YVTZHFNXVVHUOG-LSHDLFTRSA-N 456.867 4.892 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 408885876 GGSODUWRZFEECX-SFQUDFHCSA-N 468.918 4.667 50 40 JJGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccco2)cc1 408995155 AETCEAVCCDBSBO-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl 409127359 CLECTCJLRLBQTC-IBGZPJMESA-N 464.393 4.775 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 409320880 CTYFXESGNINQPI-QQXSKIMKSA-N 463.490 4.735 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 848233 OXJKHIKUSCEKRX-QFIPXVFZSA-N 483.446 4.538 50 40 JJGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(F)c(F)cc3Cl)cc2)cc1 3399960 OGKHMWAPMKNBMT-UHFFFAOYSA-N 460.864 4.671 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(OC)c1 19849155 VOHFGVUEFBVVGS-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB COc1ccc(N([C@H](C)C(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 19953815 VRIPGPTWTDWLBN-LJQANCHMSA-N 451.633 4.627 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408530851 MWXOSDPTKYCHIE-VULFUBBASA-N 452.352 4.899 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(C#N)c1C 408546966 PTGLLJOMZMGEAD-LICLKQGHSA-N 474.494 4.782 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408859275 RVTKZGWUAUGXDZ-JCFYCSFDSA-N 471.582 4.790 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC 408895717 LSIXOXNYGTVXPW-WPWMEQJKSA-N 497.389 4.633 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408984386 QIYXTLYLYRFJSC-OQLLNIDSSA-N 459.727 4.977 50 40 JJGB COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)N/N=C/c2ccc(Br)cc2)c1 2313496 VAGGBUVYDBECHR-JEWPKMHUSA-N 479.374 4.923 50 40 JJGB O=C(CCn1c2ccccc2c2ccccc21)NNC(=S)Nc1ccc(Br)cc1 3468924 IXSJNSRYCXLHBF-UHFFFAOYSA-N 467.392 4.965 50 40 JJGB NC(=O)N/N=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 9553374 JCCDQKXJWGTLAH-MFKUBSTISA-N 460.372 4.957 50 40 JJGB Cc1ccc(NC(=O)c2nc(NNC(=O)/C=C/c3ccc(Cl)cc3)ncc2Cl)cc1C 11915256 GANBEORIBSTVJH-UXBLZVDNSA-N 456.333 4.809 50 40 JJGB COc1cc(C(=O)OCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)ccc1OCCC(C)C 14075044 GQFVKUIUBXKLLC-MOHJPFBDSA-N 466.559 4.823 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)c1ccccc1 16248413 MWGBRXDTZPUBCG-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 19816736 XGHGEOKFIQGWIP-YZSQISJMSA-N 473.957 4.523 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)O 59247738 LQGLXXRSZBOHAY-NVNXTCNLSA-N 461.301 4.740 50 40 JJGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)O 408578984 CDNGULFMAVFYDA-AWNIVKPZSA-N 467.113 4.748 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1Br 408886666 IASROVXSGQJEJB-KPKJPENVSA-N 494.139 4.854 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 408890834 ZXUMLZGWAAYHGU-XMHGGMMESA-N 477.498 4.525 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2)cc1 408978832 KPZCIFQEOVBGCK-SSGMYWTASA-N 471.582 4.708 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409074631 UGDHDLFZCQMLMY-SFQUDFHCSA-N 498.944 4.758 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2)c(C)c1 409141928 OQWOLHJWOINLTA-JFLMPSFJSA-N 484.021 4.606 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 409260495 QYZSYCLMIGJWQK-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1 409261502 DJHOYRUWOULKQS-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)[C@H]2CCCC=C12 663552 SSIPYSVUQFZIQN-KDYSTLNUSA-N 465.944 4.635 50 40 JJGB COc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 1867597 WEDUUUWYCYRNTL-UFFVCSGVSA-N 465.025 4.735 50 40 JJGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)CCCC(=O)O)cc1 20158540 GKORMKNZXBTHSZ-DHRITJCHSA-N 457.939 4.902 50 40 JJGB CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 36092603 NDSQPQNNJWUQSI-LGMDPLHJSA-N 467.591 4.849 50 40 JJGB CC[C@@]1(C(=O)c2ccc(F)cc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)Oc1ccc([N+](=O)[O-])cc1 100196227 WPCCEFXFLSUION-NYMACZPPSA-N 475.428 4.621 50 40 JJGB O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408611873 XFCCDBSVNYTUPQ-QGZVFWFLSA-N 453.901 4.554 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409183593 DQQJMGGVAQJFNC-MTDXEUNCSA-N 493.629 4.746 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OC(C)C 409238225 WIPLAORPUNSBFN-YQYFLZKSSA-N 490.341 4.871 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 3112124 TVUODJDAOLEBFD-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1 16157692 HTLYPKFPIORSMF-PGGKNCGUSA-N 479.693 4.596 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(F)cc1 33602232 UNVJLGPWSYXCMA-NTFVMDSBSA-N 477.492 4.743 50 40 JJGB O=C(CBr)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210702 FZFIQRSUZUJVIW-VIFPVBQESA-N 459.962 4.830 50 40 JJGB CN(C)C(=O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102103517 JIEIBVSVORUMCF-DQSJHHFOSA-N 494.531 4.888 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 108012941 HMPVZYNUGRUUKB-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)COc3cccc(Br)c3)cc21 208456957 HCAUQSGPNAGDNF-MXAYSNPKSA-N 456.384 4.918 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1 408972293 OYJCZGYXEJWRIG-CFRMEGHHSA-N 455.308 4.506 50 40 JJGB COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409219073 MWMKNCDKPKSIIA-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 409370358 PLDIXBLJDSCZDB-UVHMKAGCSA-N 464.393 4.953 50 40 JJGB COc1ccc(OCC(=O)N/N=C/c2cc(OCc3ccccc3)ccc2Br)cc1 662879 SFQDROZSGAUNPK-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C)nnc2-c2ccc(C)cc2)cc1 9836747 PKFDLMQDHRYUJJ-YUMHPJSZSA-N 471.586 4.802 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 15979472 BIILIZKIZQXRAT-RMORIDSASA-N 477.698 4.590 50 40 JJGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 16712510 WMYWGHMNZYOUBT-YUMHPJSZSA-N 492.992 4.624 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C(C(=O)OC)=C(C)N2)cc1 20347682 MOHKBWDOPTWLMK-HSZRJFAPSA-N 465.550 4.629 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21 40138857 KGAGIBMNMWDYRG-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCc1ccc(Cl)c(Cl)c1 408613388 ZMSJZOOLQMMVMH-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br 408812658 PFHHODGUWONHTD-SXGWCWSVSA-N 461.743 4.899 50 40 JJGB CC(C)n1cc(/C=N/NC(=O)CNC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc21 409158232 OBDHWPJMIKWETI-XODNFHPESA-N 489.403 4.955 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 409239789 QJCXZIPRJSKCJZ-MWLSYYOVSA-N 456.473 4.949 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Br)c1 8780961 GKXFJMGFBMRRPM-WCIBSUBMSA-N 470.106 4.765 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1cccnc1 14158114 QFSLBUWZFSUXOJ-JBASAIQMSA-N 498.608 4.627 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 48572656 JMZNVCSWSWRCER-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccncc2)c1 59417195 RRWMCBSLGJADRS-RPPGKUMJSA-N 460.368 4.573 50 40 JJGB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 97961169 RQEBBHVPWOSYGC-UHFFFAOYSA-N 470.205 4.714 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)cc2c1 409186532 DIYPTDISVZVZRA-MBTHVWNTSA-N 488.496 4.881 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1Br 409204444 HOPBDVYEEBECBY-KZJCWCHPSA-N 473.330 4.657 50 40 JJGB COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccc(C)cc2)cccc1[N+](=O)[O-] 409226532 UOFIPAGRLOQQQP-MXAYSNPKSA-N 467.865 4.548 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1 1253408 WTBDLDYAYOAXCB-LQKURTRISA-N 466.570 4.966 50 40 JJGB COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CCCC3=O)sc2c1CCCC2 2188775 JEDZKRDYNYFCLG-LJQANCHMSA-N 465.600 4.780 50 40 JJGB CCCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 2340728 PRVFSLBVEHYITG-ROMGYVFFSA-N 472.383 4.537 50 40 JJGB O=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3193659 IHEHFNKVTIRBEP-CCVNUDIWSA-N 452.445 4.549 50 40 JJGB COC(=O)N[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)P(=O)(c1ccccc1)c1ccccc1 3213862 HTSNWPSSFCJLSG-OAHLLOKOSA-N 489.299 4.854 50 40 JJGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)COc1ccc(C)cc1Br 12447010 ZYSXLJUBPPOEJU-PCLIKHOPSA-N 460.372 4.781 50 40 JJGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 16044194 KQQLBWVLRBVLFK-VCHYOVAHSA-N 483.355 4.563 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247172 PSMNWCAMJPLBQW-DXPRYJPLSA-N 494.414 4.987 50 40 JJGB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3)c3ccccc32)cc1 46085057 MGPVAIRRHLSLAX-IKPAITLHSA-N 471.557 4.558 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC#N 408761889 HPEZDQCCFJCUIL-ZSOIEALJSA-N 460.715 4.949 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408787834 ABUKUVDBKWTZIB-JJIBRWJFSA-N 450.004 4.690 50 40 JJGB CCc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 2312017 QBQGOEZYWKKHBZ-GOSISDBHSA-N 470.392 4.722 50 40 JJGB COc1cccc(COc2ccccc2/C=N/NC(=O)COc2cccc(Br)c2)c1 3167609 CCPVULRHJAXBRE-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)c(C)c1 8952464 PPVGFRODJJJILQ-BRJLIKDPSA-N 494.400 4.787 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(Cl)cc2C)cc1 20206943 GDCBZCSEGLHXSC-ZMOGYAJESA-N 476.023 4.672 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(O)c(Br)cc2Br)cc1 30822050 QJNUNGFBZNAZPC-DMBOVMDOSA-N 484.188 4.960 50 40 JJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1F 33787869 LHADUCUYBLKBLF-MSXFZWOLSA-N 473.302 4.597 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 59101821 XDUZTRAABUKFFT-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1 107578572 BYLUUPDZIZFCHU-XMHGGMMESA-N 459.477 4.788 50 40 JJGB CC(=O)O[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)Cl 206563876 CFLYOAVJFORAKJ-CVEARBPZSA-N 479.433 4.509 50 40 JJGB in-vitro Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 408759732 KLPBATUHNZEAMU-MTDXEUNCSA-N 452.514 4.567 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408782549 IEUFWCPCRWVMFQ-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408795217 LPVVQQRYZMUFBV-GZTJUZNOSA-N 485.334 4.745 50 40 JJGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408805544 GLYLPOQUTIZNGE-GZTJUZNOSA-N 487.350 4.969 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 408867807 LZAGPDSGYFMQNF-AFUMVMLFSA-N 498.333 4.638 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(Br)cc2)cc1 408868135 NPPPFHWTVROAIJ-UHFFFAOYSA-N 492.439 4.779 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccc(F)cc2)cc1 409062274 RDENNOXGLAKBKX-STBIYBPSSA-N 495.620 4.773 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1C 409322191 JEQPJZOZFCBQIP-SFHVURJKSA-N 470.392 4.777 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1 654834 RSTBZDBYMMXTEK-TURZUDJPSA-N 454.530 4.646 50 40 JJGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 2321135 XBPBPNLOPBHJNF-WGOQTCKBSA-N 465.623 4.904 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057379 WSZFPKISOIFNRC-RVDMUPIBSA-N 492.831 4.921 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 10059612 PJHNZRRFVMZKQL-MFKUBSTISA-N 467.319 4.831 50 40 JJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 13388007 XRQOPDYJOMMHFY-IZZDOVSWSA-N 451.074 4.665 50 40 JJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 13787163 NQRFCGIZISTXQR-XSFVSMFZSA-N 477.929 4.787 50 40 JJGB Cn1cccc1/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 30725437 HHIIDBZCNSGNSC-MXAYSNPKSA-N 485.400 4.822 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 408602599 DXAAFIGWPRGCLT-FQEVSTJZSA-N 463.965 4.978 50 40 JJGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1 408607124 NAAXCFTVKJWAAP-IBGZPJMESA-N 479.964 4.732 50 40 JJGB CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408676580 KUVIKZXGJJVDGO-BUVRLJJBSA-N 460.372 4.611 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)c1 408743427 ACUAENQVLBMXQD-SDQBBNPISA-N 483.103 4.613 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC#N 408788536 KVSOQONEZPSYGR-LICLKQGHSA-N 454.324 4.913 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c(Br)c1 408883200 UEECCUTZILZPSO-WUXMJOGZSA-N 464.113 4.794 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408939542 SVIYNFYJTGAOIV-HKWRFOASSA-N 462.527 4.707 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OCC(=O)Nc1ccc(F)cc1 408967943 SWEWOIKKPJTBDY-VFLNYLIXSA-N 489.425 4.635 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1 409254027 HJXHXIXVGYBQNE-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1OC 409319149 BANAGQJIEYSRDR-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@H]1c1ccc(F)cc1 409319738 LECFSGQUQOZVMJ-INIZCTEOSA-N 450.322 4.843 50 40 JJGB N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 1421861 QOWSLYKAWASTQC-QHCPKHFHSA-N 484.865 4.770 50 40 JJGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)CNc1ccc(F)cc1 9632341 MHJOVKWGSTZPIL-YPXUMCKCSA-N 453.827 4.554 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC(=O)c1ccccc1Cl 9763304 FTZXROVOCGIXGW-FOWTUZBSSA-N 476.872 4.812 50 40 JJGB C/C(NNC(=O)c1ccccc1Br)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 20288043 IDGDTRXABKPHSK-QNGOZBTKSA-N 493.336 4.548 50 40 JJGB CCCCOC(=O)CCC1=C(C#N)[C@H](c2cccnc2)C(C(=O)OCC)=C(c2ccccc2)N1 24632112 QGLCAMQCTZIRTN-DEOSSOPVSA-N 459.546 4.644 50 40 JJGB N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 31818139 UQUOPAZPIIIICC-NRFANRHFSA-N 460.335 4.630 50 40 JJGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226341498 BPQBZLZLCMANKN-DUXPYHPUSA-N 450.547 4.991 50 40 JJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408728296 JMRQRBLIEOYMJV-SSDVNMTOSA-N 462.687 4.964 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408745558 NUUIFUDORFGKQG-UNOMPAQXSA-N 459.458 4.737 50 40 JJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408760489 ZNOLYIKMJGRYIV-LSHDLFTRSA-N 455.883 4.627 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 408778393 TUFYNSAWRXXPOA-OCKHKDLRSA-N 483.362 4.917 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCC#N 408795215 LGVHCUHPGHVVSB-GZTJUZNOSA-N 454.324 4.858 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408796368 NWBASKWQHLDVRB-DEDYPNTBSA-N 460.461 4.746 50 40 JJGB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)CNc1ccc(C)c(C)c1 409118000 PSCRKSVBCKJHPG-VYYCAZPPSA-N 491.573 4.883 50 40 JJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 409363801 NRNUDAMJBWVIOP-YDZHTSKRSA-N 456.296 4.873 50 40 JJGB CCCC[C@H](Br)C(=O)Nc1c(C(=O)OCC)[nH]c2ccc(Br)cc12 2373416 QQUTWBKAWUMXEI-LBPRGKRZSA-N 460.166 4.999 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1 3116300 ZDRHUFSUJNXRTA-VULFUBBASA-N 466.335 4.539 50 40 JJGB COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 8780822 WINVIRNPJMKTPX-MUFRIFMGSA-N 484.512 4.898 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 19951694 IGRGGCHMXRCTTK-OVVQPSECSA-N 499.036 4.532 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 59483946 PKMZSYHFVNGQOQ-YBEGLDIGSA-N 474.298 4.719 50 40 JJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408779108 RHWYFMSRFDLYFT-UIOKYTMNSA-N 461.587 4.574 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C\c2c3ccccc3c(C)c3ccccc23)c1C#N 409001244 ONANVQLTKOCRQQ-NUJZUDFISA-N 452.514 4.552 50 40 JJGB C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 1804877 FAUMZBJJOAKNFO-JMRXEAOASA-N 476.514 4.686 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1Cl 3145930 WACJJKPPELNTCB-NDZAJKAJSA-N 484.939 4.945 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1c(Cl)cc(Cl)cc1Cl 9763708 NAPVLNTZQGDOCZ-PGGKNCGUSA-N 453.713 4.721 50 40 JJGB CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)c1C 13039147 SAQQKGMSHKZVMY-KNGGAZFVSA-N 451.567 4.559 50 40 JJGB Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 20558485 OAWCDWTUFAFPJK-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 27563622 MOTQGBWEMMUMOR-SFQUDFHCSA-N 489.355 4.976 50 40 JJGB COc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1Cl 39383579 FHAPCTDJOMBXOL-OGLMXYFKSA-N 460.917 4.995 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 59148840 MKZQHTVUHJOXGZ-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Br)[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118927299 ZRFUNSREDKBRDI-HIHPHDAESA-N 453.417 4.574 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OC 211720455 OQRVCDXVOMWBPJ-QFEZKATASA-N 469.335 4.809 50 40 JJGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O 408641864 DFMLVRPLUYNPAP-QGZVFWFLSA-N 485.726 4.519 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 408725407 FYAUEJQTJCCUKK-CVKSISIWSA-N 479.558 4.956 50 40 JJGB O=C(N/N=C\c1cccc(Cl)c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408731078 IUNNJYHBWARNFZ-WKIKZPBSSA-N 462.962 4.743 50 40 JJGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408849770 YZLXHGMXOFZBBA-WKIKZPBSSA-N 467.953 4.846 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 408879798 GSIWFPOVJPUENE-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc2c(c1)OCO2 408913842 RSEHFOTZQFNLDG-CCVNUDIWSA-N 476.529 4.539 50 40 JJGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1OC 408984874 TZTKSDDXWQHIOI-MLPAPPSSSA-N 482.705 4.816 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1 2222088 BBTVCOOBIHREBO-WYMPLXKRSA-N 468.991 4.651 50 40 JJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 3139630 DMTRAYBQKHLBRC-OCSSWDANSA-N 494.503 4.831 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 8843159 VWUVJWLXFLVZTG-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C/c1cccs1)NC(=O)c1ccccc1 8856252 RLDHZZYAHRNGAF-BLJRLIBASA-N 486.509 4.838 50 40 JJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 8952461 CEKAACAAWUNXLD-JVWAILMASA-N 475.888 4.894 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 9234486 KCMYVEADVDVJCT-KGENOOAVSA-N 455.514 4.875 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 34705224 SRXDLKBMLMTCML-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 83301760 SMQZISYDEULJEU-GLYRRZRCSA-N 450.510 4.767 50 40 JJGB COc1ccc2ccccc2c1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408606190 PCEMDKSDXXGMLK-QHCPKHFHSA-N 467.554 4.872 50 40 JJGB CCOc1ccc(NC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 408849856 ZXWZEOSDZRCZOP-YSMPRRRNSA-N 463.490 4.527 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408859146 LWGKMBHIRJGJIV-MTDXEUNCSA-N 493.629 4.746 50 40 JJGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccc(Cl)cc1 408974408 ZKJGTFQMJVOPTP-ORBVJSQLSA-N 481.965 4.587 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)cc1C 408992014 PYZAWSFGAFJTNY-CPNJWEJPSA-N 497.540 4.884 50 40 JJGB CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCCC2 2424154 MZXHSTOKCWPMPX-BHGWPJFGSA-N 482.389 4.589 50 40 JJGB COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1 8437751 KEWQTTXJFFTKFZ-OPEKNORGSA-N 464.469 4.616 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12 19926329 CCCHQXMUNKSLLX-JVWAILMASA-N 493.972 4.544 50 40 JJGB N#Cc1ccccc1OCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 36289890 QOPUOCGNCZMRNH-MUFRIFMGSA-N 461.481 4.686 50 40 JJGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 102953568 HGPYZKQZQUVNGI-PNJIMKALSA-N 457.983 4.849 50 40 JJGB COc1cc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1I 408748135 YXVQKVCPGLZBGV-SSDVNMTOSA-N 480.689 4.977 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408773126 PHCIKTZUUISEPZ-MFOYZWKCSA-N 488.338 4.767 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408795775 MNCKITWCLRNHFC-OVCLIPMQSA-N 459.727 4.977 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408875531 JUDXHVYMXKVSDY-UFRMGIKUSA-N 494.960 4.786 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 409028696 QJRZLIHYVNQPEW-ZVHZXABRSA-N 470.422 4.597 50 40 JJGB O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 2297204 QJGYLAYPVRNHKQ-BXVZCJGGSA-N 469.928 4.939 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1)OCO3 3628404 OOBGGOZFEFIEPV-QHCPKHFHSA-N 477.314 4.975 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 8780707 JEJVUIXNTAFZRA-GZIVZEMBSA-N 497.136 4.673 50 40 JJGB O=C(Nc1ccccc1)[C@@H](NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 408734038 FIQHTQWJZAXZSZ-VWLOTQADSA-N 485.971 4.577 50 40 JJGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 408780761 JTTQAUVLAWDLBP-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409066049 GTUWTEHFFFGJFX-VULFUBBASA-N 490.412 4.643 50 40 JJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)NCCCc1ccccc1 409234758 MFGQUULZMPAAKN-HKWRFOASSA-N 472.457 4.951 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c(C)c1 409267652 WRHZIZNRLBBIMO-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1CSc1ccccn1 996437 AEHBDSUQGWNEGI-JOCHJYFZSA-N 469.522 4.707 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2310572 GFCUYHSIKGIQDX-DHIUTWEWSA-N 493.585 4.769 50 40 JJGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1 9693300 SOABJRWKSTUUMN-FQEVSTJZSA-N 465.600 4.805 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138944 KHSSIEXZRUEKGW-FMCGGJTJSA-N 470.825 4.721 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683467 XMHUPJUVHGLBDJ-RUZDIDTESA-N 484.508 4.699 50 40 JJGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408592071 XJPGBXBITOBDEK-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc2c(c1)OCO2 408811373 VJGKDUKEMJKTQF-BHWNXFBMSA-N 462.546 4.995 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cccc(Cl)c2)cc1 408832342 YBCIRHAKOFIUGB-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408882506 ONWOXVIVKWIEJF-MHWRWJLKSA-N 476.314 4.807 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409013710 DJDRKXFMQRCSQK-MBTHVWNTSA-N 495.963 4.594 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc2ccccc12 409236637 UBGIOBXKGOKRNU-ZDLGFXPLSA-N 494.345 4.682 50 40 JJGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@@H]1c1cccc(Br)c1 409316289 YIQWHAFNUGNPBH-MRXNPFEDSA-N 476.783 4.813 50 40 JJGB COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)cc1 409376654 CGTLOAAMIJVBAG-QGOAFFKASA-N 461.905 4.912 50 40 JJGB O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1ccccc1 2382875 DYULAYKSPRLRJG-MFKUBSTISA-N 492.402 4.939 50 40 JJGB O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccccc1Cl 3290076 JFSROARCPBAOKX-LSFURLLWSA-N 485.190 4.791 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1cc(Br)ccc1O 8773273 BLYASPCAMNBWCW-IBGZPJMESA-N 459.303 4.916 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 9291315 FMAXGIFEGWPNJH-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB COc1ccc(SCC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 9311084 AZBHBHYHBCZJIX-RWPZCVJISA-N 454.555 4.812 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)cc1Br 14134522 VNBJKRBWDGFGLT-BRJLIKDPSA-N 468.351 4.587 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccccc1 408609151 JMLNYZIQGCOBSG-UXHLAJHPSA-N 473.573 4.554 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc(Cl)c2C)cc1 408768086 BRFXCYJOHYUQIG-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)c([N+](=O)[O-])c1 408879060 CJACXLWNMCRNFI-RQZCQDPDSA-N 485.412 4.721 50 40 JJGB O=C(N/N=C/c1ccccc1)c1cc2cc(Br)cc(I)c2o1 409013937 OSLMTJIQYLZWSD-DJKKODMXSA-N 469.076 4.564 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409044384 CMGONYINZVQBLY-STZFKDTASA-N 455.514 4.875 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2Cl)nc2ccccc2c1=O 2218603 CSQKYWKVYIJVMQ-VULFUBBASA-N 462.962 4.590 50 40 JJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 2251553 YYOBCMDPFNCHHM-LQKURTRISA-N 474.900 4.684 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 16043585 IJAZJUMLNZEFSA-MIFLACNISA-N 497.661 4.814 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 23411030 VSDMLOGVGLQQMX-UKWGHVSLSA-N 458.150 4.631 50 40 JJGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 33499770 FBBLBBGEWUJRKK-FMCGGJTJSA-N 499.277 4.608 50 40 JJGB O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 46085201 FGLKDVMUXOSOOE-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1cccc(NC(=O)c2ccccc2)c1 106824804 XTSCULZTQRKDQH-UXHLAJHPSA-N 462.509 4.593 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c(C#N)c1C 408545942 ADFVTKNTRRUROD-MHWRWJLKSA-N 474.498 4.523 50 40 JJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(I)cc2)c1C 408591558 UWNDCKQOCSGIQQ-DHRITJCHSA-N 486.357 4.569 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)c(Br)c1O 408744457 LFSUMWJSEJKODH-GHXNOFRVSA-N 466.129 4.780 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCC 408762395 AYCKOBNPLYYPJX-BUVRLJJBSA-N 456.340 4.801 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 408899156 NQKFULACXQJTMT-SFQUDFHCSA-N 497.916 4.870 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)cc1Cl 408993126 UREIAGPCUWPSGQ-RVDMUPIBSA-N 462.922 4.914 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Br)cc2)cc1 409222153 BVAGSTVEJPKYHJ-CFRMEGHHSA-N 482.290 4.649 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc(Br)cc1 409380596 ODQDBJORSYAPLB-JFLMPSFJSA-N 488.426 4.799 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)c(OC)c1OC 985578 VWXFTCFIIVORDO-MRXNPFEDSA-N 473.316 4.627 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)cc1C 3083604 MXEORFIJELMDSY-FSJBWODESA-N 474.298 4.697 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 12374961 LCFVCVAZHJGMFV-FQEVSTJZSA-N 459.600 4.683 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33553167 ZZAXZMNGXMWGCV-VYYCAZPPSA-N 469.900 4.659 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 33662754 YSOZJSPMLCBJMZ-LGJNPRDNSA-N 465.575 4.814 50 40 JJGB N#C/C(=C/c1ccccc1I)C(=O)Nc1cccc(Br)c1 408550502 HKNDVUDKICAJIW-WQLSENKSSA-N 453.077 4.599 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1 408771194 DUXPPDKNNMSZCL-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408791964 FUEAVZOOCHAUMU-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1 408862024 HKAXLXWCNBECHG-RWPZCVJISA-N 489.519 4.668 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408905024 SCHPYKGRRMICRB-LSHDLFTRSA-N 454.782 4.927 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408909917 FNKUUAPTRIANPL-VULFUBBASA-N 483.908 4.755 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1)c1ccccc1 408977364 DAKAYRDLIIETBL-PCEWRDAZSA-N 489.572 4.992 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCC#N 408981398 AVZIVOIDPHGPQP-RIYZIHGNSA-N 460.715 4.868 50 40 JJGB CCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc12 408983016 ZVUSQDUMGDYNOS-ZCGOLBPFSA-N 491.588 4.799 50 40 JJGB C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(Cl)cc1 409028259 KMMYWJXPSGLQFH-WNIQNGNASA-N 485.993 4.827 50 40 JJGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(Cl)cc1 409123928 FXNZYLUQVBIJBB-UHFFFAOYSA-N 464.905 4.752 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2cccc(F)c2)C2=C1CC(C)(C)CC2=O 409133758 RJIYQPCPPPKREW-VWLOTQADSA-N 475.564 4.787 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1 409246605 JKYBUWCLIFJZTI-LGJNPRDNSA-N 485.009 4.967 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409255911 LVIDSWLFXJYSIM-DICXZTSXSA-N 465.937 4.829 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OCC 409318223 UJGVTSVFDGKZBJ-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB COc1cc([C@@H]2CC(=O)N3CN(c4c(C)cccc4C)CSC3=C2C#N)cc(OC)c1OC 2205305 FQUCHPZZLJCZCY-SFHVURJKSA-N 465.575 4.549 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)C1CCN(Cc2ccc(Br)cc2)CC1 8780733 CNDVDYDKBKWAFW-YDZHTSKRSA-N 479.216 4.574 50 40 JJGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 8818247 TYDNNLAFKSHDQJ-JLHYYAGUSA-N 461.415 4.709 50 40 JJGB CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204281 VUVBFMPTPMTDTF-SRZZPIQSSA-N 454.162 4.692 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 58913725 LUZHWAVLMLLTHQ-UXHLAJHPSA-N 496.567 4.771 50 40 JJGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCC3=CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70700087 RCDJEKRGEWVOFY-ICBBOFBMSA-N 491.625 4.525 50 40 JJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408756433 ZKNWZSHNSFSLOB-RNRUYRHZSA-N 457.877 4.506 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc([N+](=O)[O-])c1O 408852668 VLTCRJZAONHNFX-XDHOZWIPSA-N 459.458 4.824 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 408881304 KOFSSCYEVHTYKH-SFQUDFHCSA-N 461.430 4.586 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OS(=O)(=O)c1ccccc1 408890506 UVQPPEDCDCVPJU-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1cccc(F)c1 409147930 WSTRDHSHXGYBAF-QFIPXVFZSA-N 452.869 4.990 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)cc2c1 409186855 IREYUKVEMBCTRZ-DICXZTSXSA-N 458.518 4.961 50 40 JJGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@@H]1C#N 875460 ZZELSQUMGNWWJZ-OXQOHEQNSA-N 497.374 4.758 50 40 JJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9633810 GVSQZMRWJAEOBO-JVWAILMASA-N 466.570 4.966 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1 9693419 HFMBNIYJYUSAJM-GOSISDBHSA-N 456.365 4.677 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 19948420 XUXMNYWJJIZEFA-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br 35131980 QNIMTEFQCYFBCW-WGARJPEWSA-N 496.361 4.548 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 58883038 HHWUGRIDDYDYKU-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408611906 XMQJAEMCCLBOIM-QGZVFWFLSA-N 453.901 4.554 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c1 408675793 BAVPNOKBVLFBGU-MTDXEUNCSA-N 458.562 4.635 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CCCC1 409191612 JDQKWEPCDKVDHL-ODLFYWEKSA-N 450.336 4.866 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/C=C/c1ccco1 1781776 UUBDLHOAEGVJJB-KOWPSSNVSA-N 450.998 4.984 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC 1782582 OBRGIUSHZDQUGY-HKNSOBRKSA-N 469.763 4.736 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OCC)c1 4291101 IVIFNKLMFCUSLY-KUXVMBIOSA-N 479.529 4.972 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 15133597 BKYPXDFOPVVXRO-LQKURTRISA-N 468.469 4.529 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19952953 BCOPFKGWJTWJMA-MTDXEUNCSA-N 489.519 4.750 50 40 JJGB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 100711313 TYDIZZPWBSYUAN-NPTSIEHISA-N 477.586 4.702 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)c1 107985891 ISKVPKPTLSEYHE-RWPZCVJISA-N 462.546 4.981 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408610648 OSSHMWMBVYWLBR-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB O=C(COc1ccccc1I)N/N=C\c1ccc(Sc2ccccc2)o1 408999344 KKYVMHIMCRALCV-MTJSOVHGSA-N 478.311 4.565 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1 409187022 KXZNZEAECBRPJQ-STZFKDTASA-N 472.497 4.917 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1Br 409237960 JOZSLEOUWUKHNF-SSDVNMTOSA-N 470.136 4.608 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 409377113 DRNGONPBTKBTQS-DICXZTSXSA-N 481.936 4.529 50 40 JJGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1477793 HPYBXJCXWXFHOO-PCLIKHOPSA-N 451.596 4.601 50 40 JJGB C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 1804880 FAUMZBJJOAKNFO-WDGDVPDHSA-N 476.514 4.686 50 40 JJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(I)cc2)o1 10118536 AIPKZGILHGXPMU-ZMOGYAJESA-N 496.308 4.809 50 40 JJGB CCN(CC)c1ccc(-c2nnc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)o2)cc1 22986836 DQLLIRMEBPJJSG-UHFFFAOYSA-N 474.590 4.565 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 27345604 WXYZYSDDTJNYKW-DEDYPNTBSA-N 491.341 4.900 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 408609512 KBRBSUFQANYRQZ-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 408611341 QQMAWOHSAFYDAC-JFLMPSFJSA-N 465.937 4.579 50 40 JJGB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)NNC(=O)c1ccccc1 408645463 LQFRPMNSPFKQTL-UHFFFAOYSA-N 494.334 4.827 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccc(OC)cc2)cc1 1302768 CHHUATVSJCDYOX-JVWAILMASA-N 487.585 4.502 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 4459622 SNAHDHPNQQVGIQ-NKFKGCMQSA-N 478.552 4.822 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 6137115 UZSXRCPQBMKWON-QFIPXVFZSA-N 487.610 4.850 50 40 JJGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 9445787 WSAZLFBPTVPWBV-OVXWJCGASA-N 476.580 4.978 50 40 JJGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1 9462530 CVYIZJPUKVAMTH-XLNRJJMWSA-N 482.613 4.961 50 40 JJGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20529148 SSIPTWXISYGKFY-JOCHJYFZSA-N 481.961 4.695 50 40 JJGB N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 33499143 OEMLNKHLAGMNAT-JLHYYAGUSA-N 461.415 4.709 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 58884505 FOANGRXBTRGLFA-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB CCN(CC)c1oc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Sc1ccccc1[N+](=O)[O-] 98053839 BGHSVBLTWHOTQV-UCQKPKSFSA-N 483.506 4.857 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Cl)cc1OC 408569298 MYQSWLTWZLQMFK-FSJBWODESA-N 467.012 4.755 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2c(c1)OCO2 408856066 HZGHFZBGFGEFMG-VYYCAZPPSA-N 458.470 4.903 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCC1 409027704 PHHSYSQXYMUGQW-UHFFFAOYSA-N 454.379 4.625 50 40 JJGB COc1cccc(OCc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc2OC)c1 996618 RNSIFJBWUDUOPL-XMMPIXPASA-N 460.530 4.734 50 40 JJGB C[C@@H](Br)[C@@H](OC(=O)C(Cl)(Cl)Cl)c1cc2c(cc1Br)OCO2 1628444 DQMHUKQSZLJGFC-GPXNAGAYSA-N 483.367 4.916 50 40 JJGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(-c3ccccc3OC)n2)c1C 9605831 DKRIKLCWGYWBMD-XDHOZWIPSA-N 451.548 4.534 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 10476014 CUGLBABJTHGLET-RDRPBHBLSA-N 457.530 4.627 50 40 JJGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc(Br)c(C)c1 14921912 XYVSAPURJSCNGY-ZMOGYAJESA-N 466.763 4.619 50 40 JJGB COc1ccc(/C=N\NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1COc1ccc(F)cc1F 104102770 ZAEZHRAUXWBYOX-DBFSUHOCSA-N 494.498 4.771 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 107932054 MDPWGHHVTHESQZ-QFEZKATASA-N 453.882 4.529 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1F 107968419 HWIQPRVGKLTQSA-ZRGSRPPYSA-N 460.292 4.914 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(Cl)cc2)c(C)c1 108204367 ZYGIRQFZVYVBAC-QRQIAZFYSA-N 498.048 4.649 50 40 JJGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 408607581 TVEIBELDORGBBJ-QGZVFWFLSA-N 460.437 4.523 50 40 JJGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccccc1 408609238 QNWQAEHNDGYZDO-QGZVFWFLSA-N 483.927 4.563 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(C)cc1 408764293 SUNJLAFROULPRO-VULFUBBASA-N 475.526 4.606 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408866504 HAKPIJPMYVPNRQ-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408884237 XJYFMNUXADBCKP-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408980878 TZRPGRGJPKEHIO-BULNNFJJSA-N 481.508 4.656 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(OCC)c1 1911630 UEOYYXSSQFXFPD-XQNSMLJCSA-N 497.503 4.840 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccc(Cl)cc2)cc1 2325105 ZGFXPTCCZFVPCG-VULFUBBASA-N 493.976 4.544 50 40 JJGB CC/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OC(F)F)cc1 9335520 VVGSJYXUBKXTOG-HKOYGPOVSA-N 479.530 4.694 50 40 JJGB COc1nc(Oc2cccc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)c2)nc(N2CCCCC2)n1 13616734 IFJXQUYLUUFWJZ-XMHGGMMESA-N 467.533 4.912 50 40 JJGB Cc1csc([C@H]2C(=O)NC(S[C@@H](C)C(=O)NC3CCCCCC3)=C(C#N)C23CCCC3)n1 17011894 IVGQIMCIHQIGLR-QFBILLFUSA-N 472.680 4.921 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccs1 20028856 CPNHCBXEHSOHSW-JOCHJYFZSA-N 465.600 4.854 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccccc2)cc1 20215184 NMNJNTNWMNMTIE-UHFFFAOYSA-N 471.623 4.599 50 40 JJGB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33921361 WMVYBBWDFRHJPT-HYXZUXOASA-N 478.505 4.851 50 40 JJGB C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21)OCC 105017456 PZQDQSYNLSJVSB-MUOJKANHSA-N 479.964 4.848 50 40 JJGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1O 105497414 HZROVCHKJPCVOD-SSDVNMTOSA-N 484.386 4.715 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 408604855 IWLMGTHYAFWXEO-FQEVSTJZSA-N 477.536 4.608 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1C#N 408743184 VDTQAMDYNXKQBZ-VULFUBBASA-N 464.319 4.672 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 408883563 TZVBAOLLBTXCSQ-LDADJPATSA-N 474.429 4.636 50 40 JJGB CCC(NC(=O)NCP(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F 2355205 QUMUBDCMQZZEGM-UHFFFAOYSA-N 452.335 4.531 50 40 JJGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c1OC 2433466 JLGXVBTYJWXZMB-QGZVFWFLSA-N 486.391 4.686 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1cccs1 8443111 PJSKMEACMGQXGY-NRFANRHFSA-N 492.626 4.701 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c(F)c1 9261872 WAZNUQLUNQNRGE-RPPGKUMJSA-N 497.280 4.711 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(I)cc1 10118497 GOKPFVMXAQFXGA-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB C[C@@]1(CBr)CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccccc2)S1 12402432 OWMLFEZRLWAMTP-GFCCVEGCSA-N 460.241 4.826 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccccc3Br)cc2)n1 12624599 APKKFWPYFIHGFU-FSJBWODESA-N 455.381 4.912 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 13922668 ABFGHTLHMIPVCM-WKULSOCRSA-N 485.462 4.772 50 40 JJGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 20060178 UFWCOIXSVCVCDL-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 28217127 LGIWODAHTOKAME-FOKLQQMPSA-N 472.412 4.506 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 33785599 QZJLKXZWPDWQHG-DHDCSXOGSA-N 497.301 4.874 50 40 JJGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C#N)c1C 35086703 WOWRNZYGHPBNAN-OCSSWDANSA-N 466.541 4.562 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 59332893 APTQFYMGWCUCMI-QJOMJCCJSA-N 471.532 4.669 50 40 JJGB COCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 408800917 QENUHGJPACOBIR-DEDYPNTBSA-N 465.347 4.851 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 408839567 AOKZLFDBOCKJCB-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc2ncccc2c1 408967483 SGLLYNIPKAXAFG-VYYCAZPPSA-N 477.362 4.934 50 40 JJGB COCc1cc(C)nc(SCC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)c1C#N 409002404 UMAXWZOIRBCFEL-QDTIIGTASA-N 475.618 4.675 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OCC(=O)Nc1ccccc1C 409007781 QUMXVZXHLUHZEM-WGARJPEWSA-N 496.361 4.548 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409028279 KYEKRHKETRSMOH-PZLSILOWSA-N 495.601 4.573 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(Br)cc2)C2=C1CCCC2=O 409125491 AOHJQHBUKZAJFP-QFIPXVFZSA-N 464.363 4.758 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC(C)C 409191779 NDPXLLJOTMHBTF-SSDVNMTOSA-N 486.737 4.894 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409261858 DPIYUUOMJKFECW-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccc(Cl)cc2)cc1 1293884 GYHPRTYXMNNOBV-VULFUBBASA-N 462.966 4.534 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC[C@@H]1CCCO1 2807030 RLIKORMCIUSBMZ-DMVFFGLYSA-N 475.770 4.884 50 40 JJGB CCCc1sc2nc(SCC(=O)N/N=C/c3ccccc3O)n(-c3ccccc3)c(=O)c2c1C 8400215 PZHRICAQCFREPL-VULFUBBASA-N 492.626 4.656 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(O)cc3)nnc2-c2ccccc2)cc1 9019493 LQKDMAMGWTZGKZ-IMRQLAEWSA-N 487.585 4.671 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(Br)c2Br)cc1 9310785 XYFMGVFKBDBFIR-WQLSENKSSA-N 496.155 4.870 50 40 JJGB O=C(NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccc(Cl)cc1 15906006 CVHSAIGYRFHTAA-AQTBWJFISA-N 485.849 4.821 50 40 JJGB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 20461298 FQBLUBNONGDOOT-UHFFFAOYSA-N 487.931 4.990 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)NCc1ccccc1 33619727 KYPAQFIUNOTYTK-XDHOZWIPSA-N 463.896 4.720 50 40 JJGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 58912728 XPVJPJHNSCDECD-XODNFHPESA-N 456.468 4.819 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(Cl)cc1 408612433 VJJJKBOCZAMIKF-OKCVXOCRSA-N 493.991 4.818 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 408658098 UVFVMLZWOOSVHJ-UZLBHIALSA-N 464.345 4.515 50 40 JJGB O=C(Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21)Nc1ccc(F)cc1 408675810 BDFQKFRSVLNAFR-OCSSWDANSA-N 483.547 4.783 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 408883804 VBHBLBAOBQEILA-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCC1 408920985 AJJSKDPEUYJHMV-UHFFFAOYSA-N 473.904 4.600 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408968188 UQSFWYBOVAKAJE-VFLNYLIXSA-N 495.894 4.791 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1 408997697 GUHFPIBSENELPU-MOYYISEASA-N 483.908 4.626 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409133452 MNQZMUVIJPUVER-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 3115344 YKSVWSCOZRBSMX-VULFUBBASA-N 471.554 4.855 50 40 JJGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2ccccc12)c1cccs1 3185078 IZPIXNBGKAOSQJ-ZCGOLBPFSA-N 466.566 4.874 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(C)cc1 4196391 WPCWKBGFNJJLKU-DHRITJCHSA-N 454.324 4.504 50 40 JJGB CC(C)CCC(O)(CCC(C)C)C(=O)NN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 8817100 WVHFLGNJRCXHMF-UHFFFAOYSA-N 455.555 4.876 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 9144920 QWHKSTVKZWCEFN-RUZDIDTESA-N 499.571 4.927 50 40 JJGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@]2(C(=O)N(C)c3ccccc32)C2=C1CC(C)(C)CC2=O 12372449 FIWSBUBJQXISCO-MHZLTWQESA-N 472.976 4.720 50 40 JJGB CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)c1C 13039146 SAQQKGMSHKZVMY-ORTNRGLGSA-N 451.567 4.559 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C 19949372 QIQNSBASLIMVME-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1cc(C)c(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)c(Br)c1 20100990 PRVGVZJXRLSIAK-MYKKPKGFSA-N 475.774 4.743 50 40 JJGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 59437031 NMTLDWMAWAJBKP-UHFFFAOYSA-N 478.014 4.760 50 40 JJGB O=C(N/N=C1\CCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102982574 UXYYCMGQQRCXNC-YYDJUVGSSA-N 453.951 4.611 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 408602600 DXAAFIGWPRGCLT-HXUWFJFHSA-N 463.965 4.978 50 40 JJGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OS(=O)(=O)c1ccc(C)cc1 408897539 XSERDNFJJXQHLH-RCCKNPSSSA-N 476.554 4.879 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409225960 RRVZPXBPBCUKNP-YYKDSVGLSA-N 479.876 4.640 50 40 JJGB COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CCCC3=O)sc2c1CCCC2 1060814 PQSCDHLTIYWFCV-NRFANRHFSA-N 459.571 4.718 50 40 JJGB O=C(N/N=C/c1ccc2ccccc2c1)C1CCN(Cc2ccc(Br)cc2)CC1 1089373 OXNWSJKXUBECCJ-WGOQTCKBSA-N 450.380 4.965 50 40 JJGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CC(C)(C)CC2=O 1421864 BHLNWVDNIFZIMS-AREMUKBSSA-N 458.949 4.696 50 40 JJGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 1462212 DKSGCVFMCGQGEZ-HAVVHWLPSA-N 464.525 4.609 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1Cl 3102606 IAEVLGKAEZTHDY-JFLMPSFJSA-N 466.921 4.795 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 3321505 MPKKSJPOKVDNLY-GOSISDBHSA-N 455.967 4.758 50 40 JJGB CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(I)cc1 10118605 RCSGHYBJNLLOIA-KEBDBYFISA-N 487.135 4.605 50 40 JJGB C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 22531017 JSXBHYNKUPXSBU-JXPPMIMOSA-N 450.926 4.603 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58911903 YLXYIRSPADMUGO-PBEVGHANSA-N 457.361 4.728 50 40 JJGB O=C(N/N=C\c1ccc(I)cc1)c1cc2cc(Br)ccc2o1 83252625 CMDCFAVHVPCJKR-OCKHKDLRSA-N 469.076 4.564 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O 408641283 CIBNDMWLRGIUCO-SFHVURJKSA-N 481.763 4.770 50 40 JJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 408809169 QWOHFYJOBBIRRV-WUXMJOGZSA-N 466.129 4.780 50 40 JJGB O=C(Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-])c1ccccc1 409224224 JCLKWTGVPPJPCP-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCC)c(OC)c4)c32)cc1OCC 9292496 SUFJLFIJHKYPKZ-QHCPKHFHSA-N 490.560 4.890 50 40 JJGB CCCCCCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc2c1=O 9634692 UCINTWJSHOPUHT-UHFFFAOYSA-N 459.575 4.911 50 40 JJGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1C 9672589 RWSYMQXKSDOEIG-UDWIEESQSA-N 450.564 4.910 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 25425047 FIAYBLINBCVVHV-NRFANRHFSA-N 450.951 4.536 50 40 JJGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccccc1Cl 30843486 XSGQOWWVSDXHGJ-VYYCAZPPSA-N 466.921 4.714 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 59334824 ZRZBOHZORFATGI-ZDLGFXPLSA-N 470.323 4.660 50 40 JJGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408740204 JGGBJSAFUKHKMW-DHRITJCHSA-N 457.299 4.940 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1 408891474 RCSHUPTXTPHJHA-DEDYPNTBSA-N 458.445 4.767 50 40 JJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 408992042 QFPZUFNJUPDQAW-NTCAYCPXSA-N 462.922 4.914 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2C#N)C2=C1CC(C)(C)CC2=O 409130942 XKMBXXPRIILTFE-SANMLTNESA-N 482.584 4.520 50 40 JJGB COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c1 655100 LMKPNVRIFYIHCM-UHFFFAOYSA-N 475.328 4.664 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 9187393 WOVLVKLTJOXVJU-LDADJPATSA-N 483.484 4.951 50 40 JJGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 20348407 ONDYVJFTEYYDRA-QFIPXVFZSA-N 467.978 4.971 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1)c1ccccc1 28213695 MXSRJSRSJNHNAA-RGKQAONTSA-N 496.032 4.980 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccccc1 34761135 RGRLPOCEVCXICE-XDHOZWIPSA-N 463.896 4.720 50 40 JJGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 59366753 SZGHRWPCBBAVBU-VFCFBJKWSA-N 493.629 4.728 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cn1 408956697 YAIYVSQKIZAHKG-UNOMPAQXSA-N 483.484 4.538 50 40 JJGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408961158 AWRMSISSPLWENM-BRJLIKDPSA-N 469.257 4.643 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408968433 YUNWMLSEZZARJU-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc(C)cc(COC)c1C#N 409007246 NEJGYWNBXQVJEI-VYYCAZPPSA-N 462.575 4.593 50 40 JJGB Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 409102485 AHXOXNUEWGTAJM-NTEUORMPSA-N 467.894 4.749 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NC1CCCC1 409188652 JCKHXBDSPITRSJ-WQRHYEAKSA-N 469.335 4.692 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 409270357 DPXLGNGDKDQUFS-YSMPRRRNSA-N 451.910 4.520 50 40 JJGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 2738608 DXNIMLZARDLOPF-OPJYZTSFSA-N 498.366 4.932 50 40 JJGB CCOc1cccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)c1O 9324531 MHTMAKJMVBGAED-JVWAILMASA-N 456.502 4.524 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3Cl)nc3ccccc3c2=O)cc1 9428226 IPELFWAOUQJBQR-LQKURTRISA-N 492.988 4.680 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693288 VUMNPZYUIGDEDK-GOSISDBHSA-N 456.365 4.677 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 20207011 NCIZNWZNRKVISG-OVVQPSECSA-N 487.984 4.832 50 40 JJGB N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 31818135 UQUOPAZPIIIICC-OAQYLSRUSA-N 460.335 4.630 50 40 JJGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 58913187 SODAQKXOOMSUTK-BRJLIKDPSA-N 487.785 4.907 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408612580 VUZSVAFVVVPHLC-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(C)cc1 408760933 BCRWXBAZOYRSSW-JFLMPSFJSA-N 489.553 4.997 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OCC 408838376 VRKAYHLXAKCMAS-NDZAJKAJSA-N 469.585 4.972 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1 409014861 LSOJIZYDUWSKFX-RHANQZHGSA-N 467.525 4.695 50 40 JJGB C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccccc1 409234109 YZLJJEBTTLRPBR-JFLMPSFJSA-N 476.602 4.652 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409267525 NECMSVOTFXSHKP-IPPDYPEDSA-N 461.949 4.731 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1cccc2ccccc12 409364685 OPISDNBMFLHCDB-JFLMPSFJSA-N 471.469 4.805 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1ccc(OC)cc1 1439491 AHKKZABPUSTHRD-XMHGGMMESA-N 460.461 4.998 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1 2309730 KPWPZHFWIPWWKB-XMMPIXPASA-N 459.571 4.805 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)cc1 9088412 OGRGFFDAAXBTAI-XMMPIXPASA-N 499.592 4.985 50 40 JJGB CCCCCOC(=O)c1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 13573664 DCVVCYGBNOPRDJ-JOCHJYFZSA-N 488.569 4.770 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c(C)c1 33633516 PBJUHCZIOYXBBQ-WYMPLXKRSA-N 463.471 4.928 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1cccc(I)c1 34855961 XCJAFEFSHUXVRV-BOPFTXTBSA-N 483.309 4.950 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408610595 OLGAWELZIVFHLS-XODNFHPESA-N 490.774 4.992 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(O)(c1ccccc1)c1ccccc1 408913117 SQAMQSRDSSULHZ-VUTHCHCSSA-N 481.508 4.560 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 409008143 UOXDFUVNBMZCRP-NHDPSOOVSA-N 472.710 4.506 50 40 JJGB C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC 409132461 YBDYEKFXEJLHFG-QFIPXVFZSA-N 486.012 4.686 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc(F)c3)cc2)C2=C1CC(C)(C)CC2=O 409141117 UFABUZHKUSPFQJ-VWLOTQADSA-N 475.564 4.787 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 409229212 LIEBYTVNROZQMD-ZSOIEALJSA-N 497.267 4.955 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OC(C)C 13899340 XCUWJQXPSGYPNU-JVWAILMASA-N 452.938 4.522 50 40 JJGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C1CCN(Cc2ccc(Br)cc2)CC1 20469901 UIFZZFCDTWCMLA-BHGWPJFGSA-N 485.209 4.824 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 35377744 XACSPHXWTCQHAH-SFQUDFHCSA-N 477.904 4.617 50 40 JJGB NC(=O)N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 95116848 WAYVAXUOQJBWHW-MUKDWXQFSA-N 471.344 4.543 50 40 JJGB N#C/C(=C/Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100482257 TYDNNLAFKSHDQJ-RAXLEYEMSA-N 461.415 4.709 50 40 JJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)CN(CCCl)CCCl 118928998 IDOXMVAUYAOGFZ-BXZPNGIOSA-N 471.513 4.575 50 40 JJGB C[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245231381 CJIRCQLSUKSMNK-XDAADHDCSA-N 463.899 4.887 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1cc(Br)cc(Cl)c1O 408569175 MDCDYINHYBQRIY-NKVSQWTQSA-N 487.828 4.816 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 408735150 KGTYCIZNQNEFCV-RIYZIHGNSA-N 459.287 4.947 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408775012 FBFURCDNUMTGGQ-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OC 408815784 SCBUWBKFFOQWHF-RIYZIHGNSA-N 475.726 4.677 50 40 JJGB CC(C)c1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C(C)C)c1O 408849981 CEDGZDNQLNFWFB-LSHDLFTRSA-N 466.319 4.713 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 408906557 HGLKFEZMTCCGOR-SZXQPVLSSA-N 463.603 4.624 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409131757 OVTAZBAFLAUVOH-OAQYLSRUSA-N 496.317 4.751 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(Br)o1 409214468 VJVLHIDXTUFTLK-UBKPWBPPSA-N 452.555 4.700 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2276357 XHPFCCDNUCRQMK-YDYXIROLSA-N 473.529 4.899 50 40 JJGB CCOC(=O)c1c(/C=N/NC(=O)c2ccc(N(CC)CC)cc2)c(C)n(-c2ccccc2)c1C 3215153 ZLJQOYQOSABDCD-MTDXEUNCSA-N 460.578 4.881 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 9323487 CNVIVJOQDPGAOS-DHRITJCHSA-N 490.428 4.601 50 40 JJGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9333916 GWUPABHGUVKQJV-WPWMEQJKSA-N 493.633 4.820 50 40 JJGB CCOc1cc(C(=O)NNC(=O)c2nc(-c3ccc(Cl)cc3)oc2C)cc(OCC)c1OCC 12864390 WMOUGMUCOWUCBC-UHFFFAOYSA-N 487.940 4.574 50 40 JJGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(CSc2ccccc2)cc1 16491666 WAMLVBRTEOFLQH-UHFFFAOYSA-N 466.360 4.828 50 40 JJGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccccc1Br)c1ccccc1 18193700 JQCCUQCWXGEWGO-XTCLZLMSSA-N 475.346 4.831 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cc(Cl)cc(Cl)c2)cc1 19926459 CSCRXMXNMFEUCR-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1 19954368 FNKGQVPXDYVYPQ-CVKSISIWSA-N 465.962 4.563 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCCC)c(OC)c2)cc1 20197958 ZWALXRZNRKCEKJ-OEAKJJBVSA-N 496.345 4.641 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 20760494 DEKVYQCKZGMCNB-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](CI)S1 36625074 FDLHCSHJDRGWCX-OCCSQVGLSA-N 454.358 4.574 50 40 JJGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 46084844 GCBRRCPIPHCRCM-QVTSOHHYSA-N 485.584 4.617 50 40 JJGB Cc1c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc(N2CCCC2)c1C 408570386 ULJBYVFSXFOJDC-MFKUBSTISA-N 455.649 4.911 50 40 JJGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 408603395 GMJHLLRTCIJXGT-KRWDZBQOSA-N 461.330 4.811 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 408761726 LCCTUIYEEBAHEU-JXAWBTAJSA-N 461.905 4.912 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1Cl 409255383 HNZXFRFYQBKDBG-XLLDZARQSA-N 495.938 4.570 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)ccc1OC 409305328 VOHDXIJKNSCVCC-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2c(OC)cccc2OC)c(C)cc1C 650870 DJIQQCIFPNWXCO-DEOSSOPVSA-N 478.545 4.544 50 40 JJGB Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)N/N=C/c3c(F)cccc3F)c12 3264515 SFKWXARIDPGAFA-FJEPWZHXSA-N 468.467 4.833 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1Br 6073529 XTLXAKJAEZSBBP-UFFVCSGVSA-N 456.109 4.679 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 9234429 CVAJCKGWXRLNPS-UVHMKAGCSA-N 480.904 4.954 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 9355271 FYYQFFZRZXHCGV-DHRITJCHSA-N 453.882 4.665 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OCC)cc2)cc1OCC 12276143 ATIWIAXCERHTJQ-KDYSTLNUSA-N 494.613 4.916 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 16391486 AXWYELCSWYIKDU-RCCKNPSSSA-N 456.498 4.901 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 19951891 TWGGLVHFZRXUKA-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 20493162 FXJYXXPLNWPMHF-TURZUDJPSA-N 487.581 4.584 50 40 JJGB CCCOc1ccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27224946 DVIQFHVYYXDHAK-LEAFIULHSA-N 493.611 4.800 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 30822110 BKQFVFAQVXNPQM-QFEZKATASA-N 467.865 4.630 50 40 JJGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(C3=C=CCS3)cs2)sc(C(=O)OC)c1C 101073868 SCOUJWCREKOBDA-FMIVXFBMSA-N 459.574 4.696 50 40 JJGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848366 UHLBNMXSLILQKO-HMPYUNRUSA-N 484.947 4.654 50 40 JJGB O=C(Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccc(F)cc1 408848997 XQIJMRILYMQOLN-MUXKCCDJSA-N 454.461 4.929 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408862910 NQRKWKVEQCDPLE-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 408886614 HOPJWBINLBFEIX-TWKHWXDSSA-N 464.521 4.600 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409029222 WVKVECKUBJUWRX-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccco1 409224693 LXELYEFIJFJAEW-UHFFFAOYSA-N 483.480 4.524 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409270621 GJFAWBROROMPEV-STZFKDTASA-N 485.540 4.884 50 40 JJGB COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1 6577556 HENUQRRBPBTSDN-INIZCTEOSA-N 455.967 4.885 50 40 JJGB aggregator CC(=O)OC1=C2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]2C(=O)OC(=O)[C@@H]2C1 8214435 SPDGZKJSOWGZIE-ZBRRHPIESA-N 496.600 4.644 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 9272319 OENGLKKWRBQDKB-DIBXZPPDSA-N 471.586 4.889 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nc[nH]c1C(=O)N/N=C/c1ccc(Cl)cc1Cl 13640728 GTCXSQJGFGJGCY-BEHPWJQGSA-N 498.157 4.551 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1C 27019924 JKRNKVKGYDGWPN-XLNRJJMWSA-N 458.562 4.696 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 59383043 GWWHFBJDCKCLIC-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)C1 101357490 MDLPSNBGVDNIDV-GNHKIMIVSA-N 481.600 4.574 50 40 JJGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCc1c(F)cccc1Cl 408609875 SJRIGEIQLAAQAJ-INIZCTEOSA-N 483.927 4.563 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 408612913 XKFZYEMWWRVUBK-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OC 408778378 SMWZRMPXQYULGP-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 408807007 NWEKGZHCNYCIKP-QEUWZPBZSA-N 453.542 4.727 50 40 JJGB Cc1c(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c2ccccc2n1C 408812345 MSYCJHQFTMOHKH-RYBVODPGSA-N 480.612 4.910 50 40 JJGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408863467 ONYUTGIXXBXWAX-STBIYBPSSA-N 464.972 4.561 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408939898 NGUVYRXCHQVZRQ-VULFUBBASA-N 490.412 4.643 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 409207263 VBCKFTRSRVDALX-GWXSLXSZSA-N 480.568 4.747 50 40 JJGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 1410457 CYLSBPUQGVWAIF-OVVQPSECSA-N 474.358 4.626 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cnc2ccccc2n1 2802057 XTFIJVTWEKSPQQ-LGJNPRDNSA-N 461.319 4.735 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2887946 KMMSPCBDFBQXKF-SMTKEMNDSA-N 488.613 4.846 50 40 JJGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 3081763 SLNILMTZHULAGL-KIBLKLHPSA-N 450.709 4.787 50 40 JJGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccccc1Cl 3116334 GVLQYYNHQDXOJV-MZJWZYIUSA-N 466.921 4.714 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 9035779 OXJKHIKUSCEKRX-JOCHJYFZSA-N 483.446 4.538 50 40 JJGB CCOc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)ccc1O 9693242 STTFFGJCGFBGJU-INIZCTEOSA-N 455.967 4.972 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 13661666 UUAPSXVQAPIBRQ-CVKSISIWSA-N 479.606 4.715 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 13922550 OUAXHOSKNPYLCW-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccs1 59401526 SJSVRWLKBPQHBH-HKOYGPOVSA-N 455.605 4.607 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408565830 AXYOYHRYVBLWID-WCIBSUBMSA-N 464.678 4.734 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408766632 DPZUMESZJSZIKQ-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OCC(=O)O 408921257 ACPFKARJMHKQMJ-RWPZCVJISA-N 484.593 4.542 50 40 JJGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)CC1 409006508 OHMUQCQKLNWTEX-VUTHCHCSSA-N 455.558 4.577 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 409062832 BKMRSWBUZGNMND-XKZIYDEJSA-N 466.319 4.551 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc(Br)ccc1O 409063449 KYLNJLLJDLUPMZ-AFPJDJCSSA-N 463.671 4.530 50 40 JJGB COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(Br)c1O 409120040 STDKWHGAGCKRRL-QPSGOUHRSA-N 478.195 4.854 50 40 JJGB N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)c2ccccc21 2670687 RECFZLDNKHJHRC-QINSGFPZSA-N 466.282 4.705 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1OC(F)(F)C(F)F 3112293 ILJCCIXGELJNOW-IPPBACCNSA-N 489.425 4.591 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1 9076301 ZMHPUEDSPZNXOL-MFKUBSTISA-N 478.578 4.909 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 23411081 OAGYKJAGWPPAFB-JVWAILMASA-N 475.501 4.641 50 40 JJGB Cc1cc(/C=N\NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c(C)n1-c1ccccc1 33789720 RHSRTAABEAFRMF-DGWDVPIGSA-N 474.649 4.901 50 40 JJGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651450 ZSBADRLKXROKFZ-QFIPXVFZSA-N 477.314 4.895 50 40 JJGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CN2CCc3ccccc3C2)cc1 59472903 TUDOMQLBVKJCBV-RWPZCVJISA-N 457.599 4.503 50 40 JJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc(I)c1 408761481 FAQJJNFWTAEWIC-XYOKQWHBSA-N 453.077 4.599 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408795267 LVMNABHESVMAQF-NTEUORMPSA-N 463.715 4.590 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)c(C)c1 408935829 OBVRPIAZQZGGMX-DHRITJCHSA-N 468.351 4.716 50 40 JJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c1 408951123 LLNSQTGVHNHOOK-MOSHPQCFSA-N 453.498 4.789 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 409026796 YMHMFBJELYDASY-TURZUDJPSA-N 471.582 4.748 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 409262019 HDIIBQMTCIUGSB-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 2218793 JLOIILMFMXWBDP-JOCHJYFZSA-N 492.373 4.503 50 40 JJGB Cc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccc3c(c2)OCCO3)c(O)c1 2317019 OZPUFGOABDHRKG-IRXDYDNUSA-N 456.130 4.554 50 40 JJGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Cl 2411552 BFLFWWZRFUAQMP-XSFVSMFZSA-N 484.943 4.980 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 10476016 BAULRJNYRULXAV-RDRPBHBLSA-N 457.530 4.627 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 27902788 ZPCFINUMPUDWGE-XDHOZWIPSA-N 459.458 4.737 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 59500479 WQEPFESWBPFMPL-YSMPRRRNSA-N 452.894 4.730 50 40 JJGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408756864 XVTLWMJLSSMYCW-SDQBBNPISA-N 466.129 4.774 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(F)cc2)cc1 408802337 ZGONDNCEIGONFC-DEDYPNTBSA-N 460.461 4.746 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC 408854126 YFDKTYJYLFWFMW-UUYOSTAYSA-N 478.286 4.599 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408953553 WPXWWAJPONFRDE-BHGWPJFGSA-N 474.742 4.972 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1C#N 408965874 JNUABKRRZZHAHI-VFLNYLIXSA-N 462.868 4.574 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 409130882 WZMXDGPMNCOXTE-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@@H]1c1ccccc1 409314843 SSCDAJDOQSYPKS-CQSZACIVSA-N 476.783 4.813 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(C)nn(-c4ccccc4)c2Cl)C(C#N)=C(N)O3)cc1 987198 VJXPWBKALPYMQY-HXUWFJFHSA-N 472.936 4.841 50 40 JJGB Cc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccc3c(c2)OCCO3)c(O)c1 2317018 OZPUFGOABDHRKG-DLBZAZTESA-N 456.130 4.554 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)cc1 8812768 ZWFKYTXEXOREDV-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB CCOc1ccc([C@@H](C)NNC(=O)C(O)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1 8838033 OVUKAZGYVLJJOS-HXUWFJFHSA-N 478.589 4.501 50 40 JJGB CCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC 9202365 DTQPHKKCHPYCTQ-LPYMAVHISA-N 466.319 4.551 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(I)cc1 10118426 UZSHTTGQEGMUNE-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 16162864 CGQGMOHUQKJXEB-JVWAILMASA-N 457.490 4.857 50 40 JJGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@@H]2CC=C(C)C[C@H]2C)c(OC)c1 21966465 RMJITTRYQPRBOH-VTEKSXIUSA-N 461.562 4.569 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N1 25337047 IYUQLNBTYOZZPP-JOCHJYFZSA-N 451.548 4.527 50 40 JJGB O=C(N/N=C\c1cccc(OCc2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 33881881 DSIFGDXNQXLCJV-QRVIBDJDSA-N 454.280 4.700 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 34781999 YIQODTFZATVFIE-YUMHPJSZSA-N 484.468 4.928 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)OC 408795340 LNXLEEZIOXYWCO-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COC(=O)Oc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OC 408837807 NZOAFKIZIXTZQK-VULFUBBASA-N 462.527 4.794 50 40 JJGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848372 UHLBNMXSLILQKO-RXMHVWQNSA-N 484.947 4.654 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 409263368 KMWZCMNIEBFRQN-STZFKDTASA-N 455.514 4.875 50 40 JJGB Cc1ccccc1C(=O)NNC(=O)CSC1=N[C@@H](c2ccc(Cl)cc2)c2ccccc2C1 1443426 CHLPGEVNEHPPJV-DEOSSOPVSA-N 463.990 4.887 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 2210077 IAFMVVPMGHLZKS-YWQNRBPGSA-N 469.570 4.850 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccnc1 2332239 IOCVWOAKXBDUNB-FSJBWODESA-N 451.602 4.621 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1)c1cccnc1 3299882 HMIDGJJPNIMBIU-OKCVXOCRSA-N 469.472 4.783 50 40 JJGB C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6166331 YQDRQYSOTGZIKS-YYCWXQMKSA-N 463.390 4.601 50 40 JJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc2ccc(Br)cc2c(=O)[nH]1 9425347 XASNEBVOMQSNGO-UKTHLTGXSA-N 466.726 4.897 50 40 JJGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@@H]2CC=C(C)C[C@@H]2C)c(OC)c1 21966452 RMJITTRYQPRBOH-HCNUFGQLSA-N 461.562 4.569 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 107539703 FFHFSAYUXRIAHJ-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)o1 107967726 NISAOJOLUCRNIA-GDNBJRDFSA-N 452.850 4.764 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408795666 VUULJXWYEBGBAB-PXLXIMEGSA-N 470.481 4.686 50 40 JJGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N/NC(=O)C(C)C)o2)cc1 408828585 NCBYTAJIBRDKPT-VULFUBBASA-N 488.009 4.739 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408891539 SEKOYCBAHSDOFX-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)cc1C 409256435 OQWBBEKAVDOGNE-WGARJPEWSA-N 480.362 4.847 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1 409311840 BQIMLWMZGZTTMM-AWEZNQCLSA-N 450.322 4.843 50 40 JJGB CCCOc1c(Cl)cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OCC 8824728 UTBILEWMKNROSS-UHFFFAOYSA-N 455.898 4.526 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 107607623 FDARDIPYYHAOTP-SRZZPIQSSA-N 460.309 4.901 50 40 JJGB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1C 408691364 ZMVZGTFHDBRSET-UFOPBENGSA-N 456.336 4.605 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)O 408846719 YTRSIDIAXYQOSK-VGOFMYFVSA-N 456.296 4.560 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408852453 KZYBJANLXSCPSX-MXAYSNPKSA-N 477.567 4.816 50 40 JJGB COc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 408981184 VDJUHPKRDYXWAG-CSLYNHGHSA-N 451.526 4.860 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 409074339 PWBBRYAMGQHFOJ-QGOAFFKASA-N 452.919 4.962 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409309053 AMDFIVJQVRJUPG-ROUUACIJSA-N 491.794 4.774 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)cc1CSC1=NCCS1 6297234 AHXZTQAMWDWZRV-MFKUBSTISA-N 450.589 4.586 50 40 JJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc(Br)ccc1O 9028331 UDINRPMIGQFCSV-ZVBGSRNCSA-N 464.659 4.740 50 40 JJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2NC(=O)CN(CCCl)CCCl 118928995 IDOXMVAUYAOGFZ-YLCICSEWSA-N 471.513 4.575 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408609618 KOMGLJFNPSVNEK-XODNFHPESA-N 490.774 4.992 50 40 JJGB O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Cl)c1 408677159 PRTCVJHJMPAEQF-LQKURTRISA-N 477.948 4.981 50 40 JJGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Br 408765780 XYMZWAYCYCZLAV-MDWZMJQESA-N 464.113 4.683 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccc(O)cc1 408793341 OMIQKGNLQNMXFZ-SDNWHVSQSA-N 456.239 4.802 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408832439 TYGNMIIGPGYNNN-YZSQISJMSA-N 473.957 4.523 50 40 JJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1 408962695 JHEPTOAGUCKXNW-XODNFHPESA-N 457.452 4.972 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1C 409012442 KCLYFFKHYKNCOI-RDRPBHBLSA-N 466.541 4.876 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 409073655 HOARBKYRPLUPHE-LDADJPATSA-N 487.364 4.984 50 40 JJGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(C(F)(F)F)cc1 409158899 YJAZSDOBSLWLQX-WYMPLXKRSA-N 456.262 4.727 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2c(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1 3082641 MHGIPPSTXYPHTH-WGOQTCKBSA-N 489.509 4.588 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1 8722716 RLDFFMDIEMSOMQ-UXHLAJHPSA-N 497.551 4.785 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 20240549 STPXSHKUASARRF-JBASAIQMSA-N 486.616 4.570 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)N/N=C3/CCCC[C@H]3C)n2-c2ccccc2)cc1 28632423 GYGXCXLBIGWHCU-GBWXISRYSA-N 462.623 4.962 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 58913122 FSKJXMKTSHTSQX-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 408526514 CIDJRWGWBRWITH-AMVVHIIESA-N 486.494 4.852 50 40 JJGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 408768863 KORHADOKCLLFKX-RGEXLXHISA-N 484.394 4.502 50 40 JJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408788017 CGWUEVNACCFRIZ-ICNGAVBUSA-N 451.515 4.515 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OCc1ccccc1 408881916 LAWKGWBLOCZWDV-QVGKIPNLSA-N 483.362 4.875 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1F 409245000 LYXBTNDJYFLWJR-ZMFRSBBQSA-N 459.290 4.999 50 40 JJGB CCCOc1ccc([C@H]2CN(C(=O)CCl)[C@@](C)(C(=O)OCC)c3[nH]c4ccccc4c32)cc1OC 1083103561 PGYRJPUXBDVEQD-XHCCPWGMSA-N 499.007 4.957 50 40 JJGB COC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br 659669 FFLHBEKGEIXWLZ-BRJLIKDPSA-N 481.302 4.664 50 40 JJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21 4788353 GXZRLCOJMLXXEM-UVHMKAGCSA-N 473.330 4.793 50 40 JJGB N#C/C(=C1/C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc21)c1nc2ccccc2[nH]1 9090581 HEUYTICVORTTPG-NKFKGCMQSA-N 471.879 4.775 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OC 12275991 DYAFUJJYYCPSJP-KOSHJBKYSA-N 470.978 4.781 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccccc1O 12464363 RQFONNHEXPVBGF-CIAFOILYSA-N 465.025 4.822 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 13896516 JEACNMVLADDHPJ-HAHDFKILSA-N 488.660 4.789 50 40 JJGB C/C(=N\NC(=O)COc1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 13939850 QCXMYKOJDVELBB-LFVJCYFKSA-N 470.310 4.877 50 40 JJGB Cc1nn(CC(C)C)c2sc(C(=O)NNC(=O)c3cc4c(C)nn(CC(C)C)c4s3)cc12 14135117 INPFIROGWHGEGZ-UHFFFAOYSA-N 472.640 4.513 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1 107574422 PISCNVUQVOBODF-FBCYGCLPSA-N 499.140 4.804 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Br)cc1 408606960 RWIXJCCMKWDJJO-LJQANCHMSA-N 481.375 4.534 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)c1 408861059 LXCWKHRJHIHYRR-NUGSKGIGSA-N 481.361 4.515 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1 409223156 GVPGIKPSJZJEIE-ZMFRSBBQSA-N 470.312 4.935 50 40 JJGB Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1 409241443 XOLREZNGGNUNMU-BRJLIKDPSA-N 499.434 4.986 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 409248485 DKEOKLKYUOLINT-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 2741849 AZMLUNFHHQPNPP-CTOFZRSPSA-N 474.565 4.649 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 8812860 MAMGDGPYDFNZRF-DHRITJCHSA-N 457.299 4.940 50 40 JJGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc(Br)c1O 9910498 DDKWPGLQPFMTFN-OAHLLOKOSA-N 490.354 4.522 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccnc1 12465429 JQDVUERHZNREOW-CIAFOILYSA-N 450.014 4.511 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Br)s1 13524914 VVNNZUBYBXEUOL-SNZSZRNHSA-N 492.439 4.833 50 40 JJGB O=C(N/N=C/c1ccc(O)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 33354464 FOSLPHNUAQMFKG-RSLIBCCBSA-N 482.196 4.581 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 39381492 FKKRYASFMCJLCM-AJBULDERSA-N 494.547 4.609 50 40 JJGB Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(OCCC(C)C)cc3)c3ccccc32)cc1 46085050 GFTCYCUGYXREHO-PNOGMODKSA-N 485.584 4.866 50 40 JJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59679240 ZTVZWQAHFAEUFL-ZVHZXABRSA-N 455.356 4.814 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OCc1ccccc1 107551934 CRMMGKXCUNYNLB-VULFUBBASA-N 496.361 4.759 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408615192 NDSCAHSGHVGEIQ-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2cccc(C)c2)C2=C1CC(C)(C)CC2=O 409131937 PTNQYOOWDQLCHS-AREMUKBSSA-N 471.601 4.957 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)c1 409266267 PRPRLOVYONKCMJ-WGARJPEWSA-N 480.362 4.847 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OCC 409305705 WTCZHUAQPXNJJC-MIXAMLLLSA-N 487.556 4.740 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccncc1 1867927 KUDFXWMOAXZFGT-FSJBWODESA-N 451.602 4.621 50 40 JJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c1 2161601 LJOQDLZOMDWAMF-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C)c1C 2327420 ULZLHBDBVCIMJU-XNTDXEJSSA-N 451.460 4.865 50 40 JJGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OC)c1 27563365 OYVYGSOMTBCHRV-DEDYPNTBSA-N 496.560 4.544 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(C)n1CC(C)C 40159297 WZCGPERVLDKIOB-MTJSOVHGSA-N 466.969 4.811 50 40 JJGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408796697 OUXSXFIEPQNQAG-LFIBNONCSA-N 457.324 4.967 50 40 JJGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 408848390 WBLVVSRVFFQPDJ-UHFFFAOYSA-N 463.946 4.811 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408899839 RAKHZCHCUNOWHQ-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I 409208470 BVYVJGJIEFETJT-SRZZPIQSSA-N 486.762 4.752 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 409221383 POBUYPZRBZBJEO-DUPVFGOHSA-N 491.769 4.829 50 40 JJGB COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c1 2325527 YQNSFWYQGZLSON-KRWDZBQOSA-N 486.391 4.686 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(O)cc1O 2330183 GWFMGAHODJYZIS-DHRITJCHSA-N 485.997 4.757 50 40 JJGB CN(C)/C(Cl)=N/C1=C(C#N)C(c2ccc(Cl)cc2)C(C#N)=C(/N=C(\Cl)N(C)C)S1 8398427 KMUFREVGSGGQCZ-XUWUHCBVSA-N 467.813 4.954 50 40 JJGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1 8683391 PSDPERIMKWHVLJ-HMMYKYKNSA-N 494.580 4.730 50 40 JJGB aggregator N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555955 KGHCPXDODLJIPC-LFIBNONCSA-N 463.833 4.719 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 20232884 PYILIJJZPBINMO-ZTKZIYFRSA-N 499.592 4.855 50 40 JJGB CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC 245241744 OBRGIUSHZDQUGY-ZDUSSCGKSA-N 469.763 4.736 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(C)C 408543673 PYEISMJFDLNURN-PXNMLYILSA-N 473.323 4.879 50 40 JJGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408607831 FCRSSJDDSXAADM-OPEKNORGSA-N 456.757 4.592 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)ccc1I 408747377 NBGIOGPOEXMNBD-ZMOGYAJESA-N 487.341 4.780 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCC#N 408793864 QPXGAQMUCOPWRQ-LICLKQGHSA-N 454.324 4.913 50 40 JJGB C=CCOc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408816318 LENKDKKVWZLWRR-QRVIBDJDSA-N 490.297 4.765 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 408862486 ZMMFATSWCNUYJO-LQKURTRISA-N 489.519 4.613 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408885741 AABHEPSLCSHARZ-XNTDXEJSSA-N 475.373 4.749 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1 408978529 IYJKLKDBFHJAFJ-CPUXBYDOSA-N 484.896 4.836 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 409027671 DJHMCSZWTDNVCJ-DHRITJCHSA-N 496.803 4.992 50 40 JJGB COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 409236444 GIQBHYJTMNNLJG-OYKKKHCWSA-N 456.340 4.958 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1Cl 2305526 URWPEIPLZJPXNF-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccc(C)cc1Br 9144531 CWSRIHZVFVIKMN-LGJNPRDNSA-N 486.288 4.676 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC(C)=O 12140008 XZONJSNIWOWDBC-FRKPEAEDSA-N 451.460 4.725 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 20059617 SRTFPVITBPXHPW-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 20240409 HTNBVTPWOGKJMG-JBASAIQMSA-N 469.633 4.619 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1 28350576 XJXUJJGKKUUETP-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 34380781 MVLBBLYINBYCKU-WGARJPEWSA-N 454.910 4.709 50 40 JJGB CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC 35074117 IGYDHBKBTUKCHT-NHDPSOOVSA-N 470.161 4.773 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1Cl 35316328 PNVIVMRUEUGZSC-HXUWFJFHSA-N 457.317 4.831 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc([N+](=O)[O-])c1O 36079831 ALAGDWRAXSAKON-DHRITJCHSA-N 457.527 4.552 50 40 JJGB C[C@@H]1[C@@H](C)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1 104127970 MZDDUYSKIYIHCU-RTBURBONSA-N 459.311 4.874 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 107614856 HMNIFNHDCQVZQW-ZMFRSBBQSA-N 471.872 4.668 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 408764923 UFDCRMOUEXEFOE-ZVBGSRNCSA-N 493.128 4.769 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1C#N 408777457 ZUFKSROVXPNBAW-OCKHKDLRSA-N 468.351 4.730 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408925844 UFMJYBUQWRLGLM-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1F 408965768 ILKVNKBJFJKSQX-KVSWJAHQSA-N 455.848 4.841 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)cc1)c1ccccc1 408982357 XQZUHDWGHNVBGG-QMFOPCRCSA-N 459.546 4.902 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)Nc1ccccc1C 409014563 QECCPLZHQRLIEC-NDZAJKAJSA-N 496.567 4.966 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 409149781 QQCOQGPBAURZSO-XODNFHPESA-N 481.936 4.609 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)cc2c1 409188280 YGEQRVZORHLILS-WGARJPEWSA-N 476.489 4.920 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl 2310565 FOBUQBFXWHFLJS-RBUKOAKNSA-N 490.368 4.943 50 40 JJGB COc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(Cl)cc1Cl 4196222 AYYDCORIGZXSLR-NUGSKGIGSA-N 471.138 4.707 50 40 JJGB CC(C)(C)c1ccc(C(=O)NNC(=O)COc2cccc3ccccc23)cc1Br 9659955 GBWUZIZVHKPBQZ-UHFFFAOYSA-N 455.352 4.740 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 10059284 UBWWXVREBQYHNP-OOHHOYHOSA-N 451.479 4.906 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1F 13922213 ZRMQAHLFEMKWTD-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20215616 XHGFQOUMBOLWQS-YYADALCUSA-N 450.586 4.593 50 40 JJGB CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 20858727 TZXDLWHBNULRPD-SFQUDFHCSA-N 468.542 4.623 50 40 JJGB CCc1sc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1C 24286150 AMQDZGKRLZABEN-UHFFFAOYSA-N 451.379 4.554 50 40 JJGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1O 33406226 DCWXWUAOIZYMGK-WDZFZDKYSA-N 454.074 4.898 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl 33737318 SJVDVHQQPNNCJK-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1C 59679576 FIOVAVMTYDNXBG-KKMKTNMSSA-N 452.942 4.625 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCCC1)[C@@H]2Br 100868625 VMWYZDLUGHXOAF-ONERCXAPSA-N 472.059 4.685 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)c1 408723987 BSZVTFAHTAWSRL-OGLMXYFKSA-N 454.530 4.937 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OC)cc2Br)cc1 408788224 JIMUZECCRVDMSH-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 408799611 ZPMJLTNMRRSVQE-GXDHUFHOSA-N 451.822 4.840 50 40 JJGB C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1OCC 408908891 DVNHPHCFRJONMQ-ZTKZIYFRSA-N 458.558 4.599 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 408944875 VXTQQIYAHJLRMD-XODNFHPESA-N 456.468 4.819 50 40 JJGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408949160 SBGAPSHUILFDCW-OYKKKHCWSA-N 451.324 4.816 50 40 JJGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 409063189 IIEFDOIFEMUVEF-KBKYJPHKSA-N 465.828 4.887 50 40 JJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409246062 DIQMMAAFJVIJHZ-UYRXBGFRSA-N 457.368 4.902 50 40 JJGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 1245347 BSGYALKEPXFPGI-HSZRJFAPSA-N 496.658 4.693 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)c1O 1950225 AZJXXRUVGVYJDD-AUEPDCJTSA-N 481.188 4.516 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 9019065 BFRNZPSJUBVNSL-QQXSKIMKSA-N 477.977 4.926 50 40 JJGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20529147 SSIPTWXISYGKFY-QFIPXVFZSA-N 481.961 4.695 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 34798965 KNESGTXEJLZTDT-YUMHPJSZSA-N 475.888 4.894 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59676761 PUISXIWOIFUJBG-PLRJNAJWSA-N 482.584 4.527 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)NC1CCCCC1 59960580 NHYHMCFMQDVIAL-COEJQBHMSA-N 469.585 4.797 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 408781741 DKZOTOMGHTUEQI-TURZUDJPSA-N 481.593 4.859 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cccc(Cl)c2C)cc1 408786896 PBJGURPTGFCHDE-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408852612 UVOLBGTYSJRSPE-WQRHYEAKSA-N 482.378 4.994 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(C(=O)O)cc3)cc2c1 409186427 BWWZEXRFNKJGJV-DICXZTSXSA-N 458.470 4.873 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)ccc1OC(C)=O 985571 COXKUCWVPPCFJV-SFHVURJKSA-N 471.300 4.536 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 1479560 XDFOTBXGMJTFCL-MZJWZYIUSA-N 492.992 4.624 50 40 JJGB CC(C)CCC(O)(CCC(C)C)C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 8836244 GSDCXQDEAHIZFJ-UHFFFAOYSA-N 455.555 4.876 50 40 JJGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCC(=O)c1ccccc1 15135169 QEXQWINTTHJKEX-LGJNPRDNSA-N 484.622 4.779 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 20233404 COFVKLSLBITETP-WPWMEQJKSA-N 498.004 4.635 50 40 JJGB N#Cc1ccccc1COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33737484 CVXPOXRAZVCKFF-WGARJPEWSA-N 493.317 4.501 50 40 JJGB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)cc1 46085031 BYCLOTZKJWXHHW-IKPAITLHSA-N 455.558 4.721 50 40 JJGB NNC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226341378 SGNFVMWTMIWWGL-DAFODLJHSA-N 450.547 4.991 50 40 JJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408798844 GBLNVGMGPHLYBB-WUXMJOGZSA-N 466.129 4.780 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408816008 IMDMNPXEKLPMEU-HMAPJEAMSA-N 487.512 4.804 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(C(F)(F)F)c1 409026491 QPRUQTBGBUQTNI-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409223663 JDWFCXJLAKAAPG-WOJGMQOQSA-N 491.931 4.926 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(F)c1 1867369 QVWMGWGTMFEEOR-ZVBGSRNCSA-N 452.989 4.865 50 40 JJGB COc1ccc(OCc2ccc([C@@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc2OC)cc1 2768293 UGWKBSAKXWKIRV-ZEQKJWHPSA-N 466.541 4.876 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9320640 KPONWMIIWDQHGG-VULFUBBASA-N 491.345 4.888 50 40 JJGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(I)cc1 10118585 QCXLJQBHQHXYBY-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 14361321 WCJMUVUCJCALNO-OWFPYTMBSA-N 486.956 4.571 50 40 JJGB C/C(Cn1nc(C)c(Cl)c1C)=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C 22741513 YXQVIGNEYOKCJO-KKMKTNMSSA-N 484.391 4.870 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1OC 28350507 SFPXQWRQUKWJFF-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 408612214 UOFKLWUKAZYGEX-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 408676413 ILAWYYYIFBDSFI-WPWMEQJKSA-N 474.517 4.547 50 40 JJGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408737752 OJHRREYQRVXBEJ-BATDETSNSA-N 492.963 4.671 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2cc(C)ccc2C)cc1 408774429 WUMRPZWAJYMIPH-CVKSISIWSA-N 469.994 4.611 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cccc(OCc2cccc3ccccc23)c1 408876347 NZDRHVBPQNGTRF-FDVSRXAVSA-N 453.498 4.710 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 408952466 NXFIKEOCLBDHFG-MTJSOVHGSA-N 452.514 4.570 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OCC 409311630 GOEIGZWEHZMNSL-IMRQLAEWSA-N 496.585 4.714 50 40 JJGB COc1ccc(OCc2ccc([C@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc2OC)cc1 2768294 UGWKBSAKXWKIRV-OZXSUGGESA-N 466.541 4.876 50 40 JJGB O=C(O)[C@H]1C[C@@H](Br)[C@H](Br)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 5329571 QVYMFFWFPNICED-AXTSPUMRSA-N 473.976 4.570 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Br)cc1 13108332 BZAWKVVWEWIIFJ-VYYCAZPPSA-N 477.362 4.934 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC 15223089 OOGZGCKGBSIMGS-GHXNOFRVSA-N 468.678 4.507 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33335340 QVXXIKIAIRBTQS-MZJWZYIUSA-N 465.937 4.747 50 40 JJGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1ccc(Cl)cc1 34766581 FOLOHTWFXDRDMA-YVMONPNESA-N 477.483 4.846 50 40 JJGB COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1COc1c(F)c(F)cc(F)c1F 100608031 KZSFFANLFSKUKQ-NCAUGAEKSA-N 477.370 4.503 50 40 JJGB Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1C 408691361 ZMVZGTFHDBRSET-HETMTNPWSA-N 456.336 4.605 50 40 JJGB CCc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 408879201 CCRKFBFTTXOHDL-UHFFFAOYSA-N 455.624 4.969 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(F)cc1 408909234 GUFJZGOKPZUMLW-WGOQTCKBSA-N 473.957 4.599 50 40 JJGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408977011 CBCIXBSKUPRXRI-SQEMJAKJSA-N 481.524 4.646 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409015413 RXNAEZLHCUJLRQ-JFLMPSFJSA-N 465.937 4.829 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409136123 SJQCBKPBAQHKES-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(CC)c32)c1OCc1ccccc1Cl 12139330 PQYRWGWAZXXIHF-FQEVSTJZSA-N 450.926 4.821 50 40 JJGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 12251116 QHHRHLIQNLKPFO-QGZVFWFLSA-N 471.336 4.577 50 40 JJGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1 12274980 LKOFUPDXWNHREV-AVRDEDQJSA-N 460.477 4.747 50 40 JJGB COc1cc(C)ccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Cl 13881177 FPEGRRPVRPVLNY-CPNJWEJPSA-N 466.921 4.931 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OC)cc1 21362136 TUTVIDWEGDXFDO-KPKJPENVSA-N 466.129 4.774 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCO2 48374396 LHHQQVBJOHQXTM-MZJWZYIUSA-N 450.454 4.778 50 40 JJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 58900810 FDUPXMKRBZAOCF-LGJNPRDNSA-N 456.315 4.729 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)cc1 408588219 IKARSYIKYPGZFN-DHRITJCHSA-N 484.350 4.503 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCC(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408605580 MIJGWYAYDKNCFH-JOCHJYFZSA-N 459.575 4.745 50 40 JJGB O=C(NN=C1CCCCC1)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 408721634 VXVWQGSQEHASDO-UHFFFAOYSA-N 462.575 4.527 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408778893 ZDBQLAHEUNUDKW-ZIFDNGQUSA-N 457.877 4.506 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408795198 UTQRWVRVOZIVHB-DEDYPNTBSA-N 457.442 4.506 50 40 JJGB COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I 408842721 CGBOGGNVDQKFOJ-UKWGHVSLSA-N 499.102 4.572 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OS(=O)(=O)c2ccc(C)cc2)c1 408883097 QNVXIYTVCBOYKY-KGENOOAVSA-N 476.554 4.934 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OS(=O)(=O)c1ccc(C)cc1 408884178 WCYZOEDSLVUTGL-DHRITJCHSA-N 493.368 4.842 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1Br 408896897 UQVAJEXTXYPORA-NTUHNPAUSA-N 494.139 4.854 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 409238807 MACFDKZDAWMESM-JJBLJPBOSA-N 453.336 4.644 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OC 409321932 VJMBTCIADABTFE-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nnc2-c2ccccc2)cc1 1251496 RMIWMTCHYBDWCO-WPWMEQJKSA-N 487.585 4.584 50 40 JJGB CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)c1 8861515 CLMXHLYWCYJGDZ-JVWAILMASA-N 482.378 4.937 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 13388003 KSRHLHWUHYYCJT-MHWRWJLKSA-N 492.831 4.921 50 40 JJGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C 18210741 CLRYFOLYWFGKSK-DHRITJCHSA-N 478.461 4.750 50 40 JJGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38683489 JWGPVEOBKACPJM-RUZDIDTESA-N 484.508 4.698 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2)c(Br)c1 108286781 PUXWPRIEKKTORY-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408581600 JJUMNUFMLBSUPO-CXUHLZMHSA-N 477.298 4.946 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 408802113 DDDBMWHTHBMZKE-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 408818343 NUVLFMDMHWAIGV-MXAYSNPKSA-N 498.333 4.891 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccncc1 409045915 JUBCEHZCNUUDLG-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c(Br)c1 409127630 DVCXDDWOZMDLPZ-GFCCVEGCSA-N 462.394 4.530 50 40 JJGB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409195514 QGEZQNJLIJLRKP-ZWWAOTTBSA-N 460.603 4.716 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC 409324411 SIROVWFGTUFDSM-NTFVMDSBSA-N 493.947 4.695 50 40 JJGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 409359295 IMFHNQQDINHHON-DICXZTSXSA-N 462.347 4.901 50 40 JJGB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 726256 HBEYRDIBWFMYOW-UHFFFAOYSA-N 492.837 4.670 50 40 JJGB N#CC(C(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)=C1Nc2ccccc2N1 3367568 FDGJWPHMRZAOEY-UHFFFAOYSA-N 472.482 4.745 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1OC 19800765 FFKGRAJGBJBWBO-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)cc3)n2-c2ccccc2)cc1 33344920 VDSHSBKXIMNCKY-YSMPRRRNSA-N 477.977 4.839 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(C)c1 59334696 MRQNDINRQVCTSV-ZDLGFXPLSA-N 490.341 4.573 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccccc1 408965864 JHSQBQWMDMGWAH-UVHMKAGCSA-N 482.309 4.811 50 40 JJGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br 409021390 FFFHIIQVRCKPOM-RMORIDSASA-N 479.714 4.555 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409261287 CHXGIDALJLQDMO-FUSDPXDGSA-N 465.912 4.561 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OC 409315445 VNIWLHABKOUSKK-YUMHPJSZSA-N 462.502 4.525 50 40 JJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 409366297 UAPJVCHPLOSVLL-FSJBWODESA-N 456.296 4.927 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1 1857791703 VHRNHTUEITYZIH-VPUKRXIYSA-N 474.874 4.994 50 40 JJGB C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2093396 VBYRVFSKLIRPLQ-ZNXIJOFMSA-N 474.561 4.570 50 40 JJGB biogenic C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1 27018424 HLSOSSAPMKMDIG-XQNSMLJCSA-N 461.525 4.722 50 40 JJGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 59472825 LFPCCTPPGIQUJF-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC 59474920 QKVLJJBBOKZOMQ-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB COc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccc(OC)c(OC)c2)cc1 101673922 RAMYPUBFSIHMBK-DLBZAZTESA-N 458.146 4.795 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 408886320 GEFWYTXGPXIMPJ-ZVHZXABRSA-N 486.309 4.782 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)cc1 409120031 SMDKRNJMCRJMQM-JFLMPSFJSA-N 475.492 4.603 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 409130606 WTGZYXSFHMJRTC-QFIPXVFZSA-N 494.389 4.767 50 40 JJGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 409195735 KMTYEOBWUPTVCV-KRWRZEAGSA-N 482.353 4.793 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1C 409264217 PUEUXPZGMXWJSM-RUEQZMELSA-N 459.521 4.525 50 40 JJGB CCc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 3180936 NCPIYIVXMMQOST-QUCVJYLXSA-N 472.976 4.875 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccccc1F 3234425 PUGXTNRRHXHGAX-VVEOGCPPSA-N 489.425 4.635 50 40 JJGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c1 6089620 RYNGEZIILYYVNP-OCSSWDANSA-N 493.519 4.742 50 40 JJGB N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 9158273 WCCFSIRPISUOKB-GHRIWEEISA-N 481.892 4.618 50 40 JJGB Cc1cc(C)c(NC(=O)COC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 13129535 YZCJKMGDXAQNIN-XDHOZWIPSA-N 462.937 4.848 50 40 JJGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c1 28213657 LXWDHMQBKBOTQW-JFLMPSFJSA-N 467.635 4.515 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408612685 WXQSCNRHCHMMDF-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccccc1 408614327 AYMHJNPOVUIIPP-LQKURTRISA-N 479.964 4.969 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408756553 SSKXITFXUMLIKZ-ZSOIEALJSA-N 490.151 4.778 50 40 JJGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408777961 NDZWPEYRPNNBNY-CIRUFVMISA-N 467.978 4.988 50 40 JJGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(C)nc2c1 408785264 VLLXLQODJKHMQU-DHRITJCHSA-N 464.367 4.885 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408790887 RUGHWEQIUXSQCJ-XSFVSMFZSA-N 457.442 4.506 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408925688 SUJWBMJLEMVDPR-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(F)c1 408966504 LYZQVYDGAYTPJC-KKMKTNMSSA-N 470.273 4.942 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccccc2)C2=C1CCCC2=O 409137894 ZJAYHTFPHUZCSZ-QFIPXVFZSA-N 464.363 4.758 50 40 JJGB C#CCOc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 409214948 YUEOERDFCOFSAI-FSJBWODESA-N 481.799 4.756 50 40 JJGB Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Br)cc3)cccc2[N+](=O)[O-])c1 409226007 SESUMHLBKWBCMA-CFRMEGHHSA-N 482.290 4.649 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OCC 409316483 YCDKPMKIVAVTKA-MIXAMLLLSA-N 487.556 4.740 50 40 JJGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2O)c1Br 3059776 KFBFSPCYAOGNKW-LSFURLLWSA-N 484.188 4.878 50 40 JJGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 6190692 BYRJENHSOIECOX-RYBVODPGSA-N 479.580 4.968 50 40 JJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccccc1[N+](=O)[O-] 9308705 SBKDLJFVLWHYJM-QFIPXVFZSA-N 465.469 4.782 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 15222567 DVKRVORCCUXIKE-YBEGLDIGSA-N 474.298 4.719 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1F 20348634 UYJPRGXXNGXSFW-OAQYLSRUSA-N 471.941 4.720 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409025374 QCWWIJICOBPHJM-QZCBGFPPSA-N 479.602 4.907 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)cc1 409188265 YARMODOXLBXREZ-AFUMVMLFSA-N 470.367 4.784 50 40 JJGB O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 409225450 QUQOQYMCCQTSPL-UHFFFAOYSA-N 461.827 4.686 50 40 JJGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)c2ccccc2Br)cc1 3440483 VFNBXWYBJRSDLB-UHFFFAOYSA-N 486.347 4.892 50 40 JJGB N#CC(C(=O)COC(=O)CSc1ncnc2scc(-c3ccccc3)c12)=C1Nc2ccccc2N1 13016447 JEFBECWDVPQBKH-UHFFFAOYSA-N 499.577 4.835 50 40 JJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 14151872 ZZEBXGUZIWRUNS-NTUHNPAUSA-N 472.364 4.824 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19948368 HKBROKTUJVIYRX-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(Cl)cc1 100537162 QPJHKTPUNHSZEP-LJQANCHMSA-N 487.006 4.594 50 40 JJGB CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 102970970 HHJOPWDRWLTZJF-MOHJPFBDSA-N 498.208 4.536 50 40 JJGB N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nn(-c2ccccc2)c(N)c1C#N 408720821 DTTGXPRBJGLRJY-WUXMJOGZSA-N 485.139 4.621 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1C 408921874 JVJGZJBQDPOAIJ-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409222057 ABHGXPNWXOZFJK-UHFFFAOYSA-N 461.827 4.686 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OC 409309213 CYLIUPZBCFQYKM-NTFVMDSBSA-N 493.947 4.695 50 40 JJGB CC(C)[C@@H]1Nc2ccc(S(N)(=O)=O)cc2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl 6077013 XAUIRGBLWMLADI-CARQKBIPSA-N 482.027 4.564 50 40 JJGB O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 9096963 IHKIWPQSAJLMIQ-UHFFFAOYSA-N 495.439 4.563 50 40 JJGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)ccc1O 9428362 NDKAIUUVANFQMC-UUYOSTAYSA-N 495.051 4.831 50 40 JJGB Cc1c(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)oc2ccccc12 12541830 JJHPJXAKZDRULW-UHFFFAOYSA-N 456.527 4.985 50 40 JJGB Cc1cc(SCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)cc1Br 12657601 JOILFOLTVGFDJI-UHFFFAOYSA-N 451.430 4.522 50 40 JJGB CCCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 32577062 ZHODEIIRFXNWMM-QRQIAZFYSA-N 486.597 4.725 50 40 JJGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccccc1 98087159 PWHPHVUZXVNBGR-YNURIMKJSA-N 497.554 4.653 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 408658096 UVFVMLZWOOSVHJ-OXJNMPFZSA-N 464.345 4.515 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCC#N 408746752 GQCYUIMPAILINS-JYRVWZFOSA-N 491.139 4.668 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408795975 WSXNBAJMAOYTNC-LDADJPATSA-N 497.345 4.582 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OC(C)C 408809346 RLWNSJZMKAHKOW-CXUHLZMHSA-N 476.314 4.941 50 40 JJGB Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(I)c3)c2)cc1 408883475 VLFHIDKFTFFYPQ-ZVHZXABRSA-N 484.293 4.583 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(I)cc2)cc1 409129529 GYIRHZFMXMTNOL-QFIPXVFZSA-N 496.304 4.794 50 40 JJGB N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 883543 NGIFMDMRGVVPLH-SFQUDFHCSA-N 458.905 4.750 50 40 JJGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1OC 2199003 QCCRLQZJLSJNMU-OAQYLSRUSA-N 498.366 4.747 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Br)c1 3174877 MQYXXNXNGFCPFR-SRZZPIQSSA-N 470.161 4.530 50 40 JJGB CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)[C@H](c2ccc(Cl)cc2)C1 8782831 HFXDNIXLVSVVBD-FFTFYZCKSA-N 458.942 4.538 50 40 JJGB Cc1csc([C@@H]2C(=O)NC(S[C@@H](C)C(=O)NC3CCCCCC3)=C(C#N)C23CCCC3)n1 17011900 IVGQIMCIHQIGLR-LPHOPBHVSA-N 472.680 4.921 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 59444706 FSSMOSGOKRIMCG-MTDXEUNCSA-N 475.545 4.542 50 40 JJGB CC1=C(C#N)[C@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)OCCCO[N+](=O)[O-])=C(C)N1 68606507 GFPLFKBKXQKPKX-SANMLTNESA-N 484.512 4.802 50 40 JJGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 108092836 GYLQJYVKLYAETP-SFQUDFHCSA-N 477.904 4.617 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408606682 ACIGOZGTFRXKDX-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(Br)cc1 408757481 XUTTXDBKTNPCRD-DHRITJCHSA-N 486.753 4.884 50 40 JJGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408942685 KXZQQAYDQSRCEP-WKIKZPBSSA-N 467.953 4.846 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 408982801 ZDWBGVJVZPECRD-XDQFAZSOSA-N 493.405 4.527 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1OC 409018378 WPMSKHOJUCDOMR-HKWRFOASSA-N 471.513 4.657 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 409145119 MJSDIBXHEATYRF-MFKUBSTISA-N 453.336 4.730 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC 409324382 SHRQLXZWJRROQV-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB CCOC(=O)c1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1 9693299 SOABJRWKSTUUMN-HXUWFJFHSA-N 465.600 4.805 50 40 JJGB COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1 13297899 HMCUOAILBSBKOT-OAQYLSRUSA-N 469.950 4.743 50 40 JJGB Cc1c(CC(=O)N/N=C(\CSCC(=O)O)c2ccccc2)c2ccccc2n1-c1ccccc1 18193824 ZHTVXEFLLAPKIT-ZZIIXHQDSA-N 471.582 4.820 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC3=C2C(=O)CCC3)ccc1O 20170930 AOGSNNWTSFUEJI-XMMPIXPASA-N 475.570 4.510 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30809174 SQLLOCCSBGYTOP-FMCGGJTJSA-N 470.825 4.721 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2c(F)cccc2Cl)C2CCCCC2)c(C)c1 35339486 FDMLILCAQPNUBP-VYYCAZPPSA-N 494.032 4.878 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 59101606 HCKHZSFZZQDAGX-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408646257 ILXJPGDJMUNOKH-KDOFPFPSSA-N 454.737 4.770 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)cc1 408759265 AULNNTKSXJQWQA-OKCVXOCRSA-N 499.489 4.814 50 40 JJGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408789890 OHXNHGRRILMMPY-MTDXEUNCSA-N 493.629 4.863 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC#N 408796215 OOHGPFKQDDQWPD-NTEUORMPSA-N 460.715 4.949 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c(OC)c1 408865943 DWZAGOPFPNBYOW-HYARGMPZSA-N 451.526 4.930 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(O)c(Cl)c3Br)cc2c1 409184858 OONLRDPYBRUDFH-AFPJDJCSSA-N 467.703 4.726 50 40 JJGB Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)c(C#N)c1C 409193459 DBCWUFYMHUBACL-AWQFTUOYSA-N 458.543 4.596 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1Cl 409195036 OURBREIOECBFAP-VJKRCDFGSA-N 463.921 4.564 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 409269713 MAEFXYBKOGRDCV-IYAOEYEUSA-N 492.373 4.531 50 40 JJGB CCOc1cnc(C(=O)N/N=C/c2cn(-c3cccc4ccccc34)nc2-c2ccccc2)o1 654863 IMDRGFHWPZUSTP-RWPZCVJISA-N 451.486 4.843 50 40 JJGB CC(=NNC(=O)c1ccn(Cc2cccc(Br)c2)n1)c1ccc(Br)cc1 1081844 MKOFVXZAIVOZCL-UHFFFAOYSA-N 476.172 4.610 50 40 JJGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 1445486 ZRHLBRZUGFRVMW-DEOSSOPVSA-N 457.534 4.746 50 40 JJGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)COc3cccc4cccnc34)c3ccccc32)c1 4107965 VBEMIRBSJANKJO-WCMJOSRZSA-N 491.551 4.666 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1cccc(Br)c1 9071315 YMXOTEKOXGGNDH-ZMOGYAJESA-N 480.391 4.640 50 40 JJGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2C)c1C 20243726 HJAPNANFWOVVOA-DHRITJCHSA-N 470.367 4.703 50 40 JJGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 20294342 SFOGTUMQNDQABD-UDWIEESQSA-N 486.391 4.658 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(OC)c1 35302157 OPAYQNNUDVZNSN-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2O)c(C#N)c1C 408546213 FBMLFKXGUHXDOR-UUILKARUSA-N 493.766 4.945 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OC(C)C 408677552 RSEYFLGVPQKAFY-MFKUBSTISA-N 474.399 4.999 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 408760333 WUECGOFWIDOPDB-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408985418 WTIKNYFNBQEATI-NSIKDUERSA-N 493.741 4.517 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409007040 MLKMFOHFQYCFMA-QNGOZBTKSA-N 455.514 4.957 50 40 JJGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c[nH]c2ccccc12 409015113 NURQZLAZFQBYJT-UIFPHOLBSA-N 489.403 4.923 50 40 JJGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1 409226680 QYCQLYKVMCXSFW-LFQXSKOKSA-N 494.847 4.539 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccn(Cc2ccc(Br)cc2)n1 1086851 VJXKIXYGQLADBR-LSHDLFTRSA-N 452.139 4.765 50 40 JJGB COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1 15018672 HPONZTLVGFAHIQ-FDAWAROLSA-N 491.547 4.893 50 40 JJGB O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccncc1 20926894 GCOHIZLUVRYJLP-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB CC(/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)=C\c1ccccc1 32577054 OQMXZEOJCIGBMQ-ZHQMYEQTSA-N 468.582 4.992 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)c1 35387589 XTJUICQIIVKZID-WSDLNYQXSA-N 461.337 4.974 50 40 JJGB O=Cc1cc(Br)ccc1O[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 169802227 BLLFLEXWBCJYNS-YGBSJELFSA-N 465.185 4.677 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1cccs1 408865298 CXIFZHYAUSJMBF-OEAKJJBVSA-N 482.414 4.791 50 40 JJGB CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 409117480 NWXHVEGDGJWHJE-VYYCAZPPSA-N 491.573 4.883 50 40 JJGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 409170124 UDSLSYLHSINMPU-WSSSDRMFSA-N 480.496 4.597 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)cc1 409184175 FMZGQLCPBYUHID-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)n1 409245062 MWWSKIRETVYYIC-WYMPLXKRSA-N 485.407 4.677 50 40 JJGB C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cccc(Oc5ccccc5)c4)c(=O)c23)C1 954722 HNWRISNAFULTQA-YNCTYVJUSA-N 472.570 4.525 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2209729 LQFHYFZRROFVMH-CVKSISIWSA-N 477.977 4.839 50 40 JJGB CCCOc1c(Br)cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2799481 IMMGARSEAIMUFK-JXFKEZNVSA-N 467.367 4.840 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 3146228 NSGAAGMDMJOXBU-WGOQTCKBSA-N 481.346 4.760 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 9668335 RBLYNLXZWYTCCE-AQQMUFCHSA-N 479.330 4.840 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OCC)c1 27562972 DSFSTGWKGUOLEE-RCCKNPSSSA-N 451.519 4.937 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 33959672 YPLWYAMWDNIZBW-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)cc1 46085085 ZXTIQXPXVHFRIN-IKPAITLHSA-N 455.558 4.865 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 58913593 DGBJRXOUSOMPPQ-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 59920773 DEIJRCPVDBWACF-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1Br 408755397 UPOLDRRFSVCUBS-LCYFTJDESA-N 497.130 4.998 50 40 JJGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408858160 NCEXKXNCVNOILY-CVKSISIWSA-N 450.882 4.963 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccccc1C#N 408865899 FFGJVFRTQNFFTP-ZMOGYAJESA-N 497.551 4.777 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1 409068737 HSWNJMSYZLKQGK-QGOAFFKASA-N 452.919 4.962 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1)S(C)(=O)=O 409112821 LTRJNATUUUGMGM-OGLMXYFKSA-N 493.629 4.760 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(Br)cc1OCc1ccc(C)cc1 409123034 DIIPBFPYBKKGAN-QFIPXVFZSA-N 495.377 4.985 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccncc1 409149672 MWTFBDLWDOONPM-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409218254 DUZJQGOTETVYLC-PKAXELGKSA-N 494.847 4.539 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1O[C@H](C)CC 409221141 LLNRIKHELVJZAS-QHBIDGPYSA-N 495.443 4.674 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OCC 409318520 YMQKRLYVCYKTEU-YUMHPJSZSA-N 462.502 4.525 50 40 JJGB Cc1nnc(SCC(=O)N/N=C/c2c[nH]nc2-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 695413 XGSYZHYSSXWHPZ-YSURURNPSA-N 486.388 4.515 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(C#N)cc2)c1 8812877 IDKPQXZJBHUZRJ-VULFUBBASA-N 464.319 4.672 50 40 JJGB CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(-c3ccccc3)nc12 9471292 QCXWMBTZJYGAOP-GDWJVWIDSA-N 490.567 4.867 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)cc1Br 13388066 HBFNNEXECMXWQA-IZZDOVSWSA-N 454.093 4.905 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2C)cc1 20059072 LDHXNOBZYOEEPA-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 107860499 LZUZVFUOLHMYPS-YBEGLDIGSA-N 494.866 4.950 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408899135 NMMRVCAHAVTTJP-LICLKQGHSA-N 455.386 4.713 50 40 JJGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccs1 408969035 GBABXYTYMNKIMT-URUCKTIKSA-N 490.412 4.700 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCOc1ccc(Cl)cc1 409205155 MYGSILCHMBGRFG-PCLIKHOPSA-N 458.967 4.951 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 409226288 UOCJQGOPVKMBMH-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC 409318610 XHOAZWLRWPJMKQ-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2C)cc1 3450965 MVHJNPYLLQXPIA-DJKKODMXSA-N 489.484 4.528 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(OC)cc3)nc3c(C)cccn3c2=O)cc1 3644124 ILQXRRXIQBNODP-KNTRCKAVSA-N 496.523 4.748 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccncc1 4015173 KJQCSWQJHQEYOA-UHFFFAOYSA-N 465.542 4.572 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 409025930 AUANJMKMSNQPQL-CVKSISIWSA-N 490.412 4.901 50 40 JJGB COc1cccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1OCc1ccc(C(=O)O)cc1 409186304 ACWDEGUWHBBCET-JAIQZWGSSA-N 478.508 4.981 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 409193952 IROIMONWEKDGNT-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409218848 HPSBJYUNQRAELY-XMHGGMMESA-N 489.915 4.690 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)cc1 1515495 OLPXVLUDSNABPM-HMMYKYKNSA-N 458.470 4.846 50 40 JJGB COc1cccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)c1 12371544 FAKQXTSLBWIPCI-HXUWFJFHSA-N 483.597 4.519 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 13923517 BJZMHIGJHSBDKP-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@@H]1c1ccco1 20025965 VVJRPRJKKVMQBG-HSZRJFAPSA-N 463.559 4.639 50 40 JJGB CC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20132261 QMPVTJIIONROIP-ZCFIWIBFSA-N 456.985 4.933 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccccc3)C(C#N)=C(N)O2)S1(=O)=O 20558675 MQRJEOSEZSYFNU-HSZRJFAPSA-N 455.539 4.522 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1 23217438 CPIQYMOYZNZNLG-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Br)cc1 32109614 WVIYOHXYAFHREK-FNGUVFISSA-N 478.390 4.963 50 40 JJGB COC(=O)CN[C@H](c1ccccc1Cl)c1cc(Br)ccc1NC(=O)CCCl 35945799 YZIKSTBONXQWAI-LJQANCHMSA-N 474.182 4.522 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(OC)c1 58913605 HBBZMRHEVIAZRF-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408570504 WBPBODHFWWSTKP-ZMOGYAJESA-N 499.570 4.871 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 408718114 KJLDJJIRFATOOS-CVKSISIWSA-N 494.345 4.781 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408828405 MHFDHCRPAOQGEU-ZHZULCJRSA-N 498.004 4.756 50 40 JJGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408850746 DPFLWNFOACRBLQ-GDNBJRDFSA-N 497.338 4.695 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1C 408955561 YKQFQGUISWFTDO-KKMKTNMSSA-N 452.942 4.625 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCC#N 408985096 VELJNJUOWZVWTR-AUWJEWJLSA-N 460.715 4.868 50 40 JJGB COc1cc(/C=N/NC(C)=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409013745 VAOOHUWVSVGEFF-MUFRIFMGSA-N 475.589 4.651 50 40 JJGB O=C(COc1ccc2c(c1)CCCC2)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409156738 LXXRFIPATGIPHG-LGJNPRDNSA-N 452.894 4.706 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)n1 409241922 STYZRUHKLRGFTM-WYMPLXKRSA-N 485.407 4.677 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409268472 UDUPTCVRXGPLOM-YKKQWCMESA-N 491.975 4.821 50 40 JJGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409335725 ZAPFXBCOMCYGDQ-LJAQVGFWSA-N 498.652 4.843 50 40 JJGB COc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccccc1Cl 845852 PXADJZRKHVRHPO-UHFFFAOYSA-N 450.663 4.963 50 40 JJGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2209487 YIYIPKVRYGAWFX-IEQIIXMPSA-N 467.594 4.992 50 40 JJGB CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 16753054 JMNKGIBSKIYPJF-ORLXONFSSA-N 478.552 4.619 50 40 JJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC(F)F 21362096 BCOHIWPYKYFXDA-LFYBBSHMSA-N 464.273 4.950 50 40 JJGB CC1=CC(=C(C#N)C#N)C=C(C)N1CCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 25326568 ZRXAVABWKIZOBR-UHFFFAOYSA-N 471.392 4.610 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc(C(=O)O)c1 59250316 CJSIOYVZFUSGIO-OGLMXYFKSA-N 469.497 4.527 50 40 JJGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 59336598 IXYBHZRETVODQB-GHXNOFRVSA-N 484.133 4.853 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3O)o2)cc1 105543551 ARJSIIZUMHITQH-WGARJPEWSA-N 474.473 4.644 50 40 JJGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226766495 BMNNMVJUVSHAKJ-UHFFFAOYSA-N 472.726 4.918 50 40 JJGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1I 408747962 WGNUSDUFPAFUSC-SSDVNMTOSA-N 480.689 4.977 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 408759913 NZVGSPKMAHFTNR-HKWRFOASSA-N 460.511 4.511 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408786256 NGXVVVULNCKADJ-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408831283 PUXOIWOXTRKQHU-LYAXJZIPSA-N 486.597 4.573 50 40 JJGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccc(C(=O)O)cc1 408883766 WLEXWIXJYQEIAP-VCHYOVAHSA-N 454.398 4.503 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCC 408893472 GJAYOMDSMLBKDR-SSDVNMTOSA-N 478.368 4.630 50 40 JJGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccco2)cc1 408995191 AREFVWWZKYHZAU-OGLMXYFKSA-N 483.480 4.524 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1)S(C)(=O)=O 409123186 FMMAMPASHCOPLS-MTDXEUNCSA-N 487.581 4.579 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 409145790 PQGWIFIOFALGMD-MFKUBSTISA-N 453.336 4.730 50 40 JJGB Cn1nc(C2CC2)c2c(C(=O)NNC(=S)Nc3cccc4ccccc34)cc(C3CC3)nc21 22563132 LVEPGFBBXNUOML-UHFFFAOYSA-N 456.575 4.508 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C 27018794 SPHITAWDFJQIOG-UQTDQPHJSA-N 470.573 4.839 50 40 JJGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccc(Br)cc1 35263377 KOSDTXCXBFVERW-SFHXXFADSA-N 466.379 4.628 50 40 JJGB Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 46084853 GYTDLRFPWBSZET-QVTSOHHYSA-N 485.584 4.617 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C3CCCC(O)=C32)ccc1O 102600413 ORBCGSCWOPLEAP-XMMPIXPASA-N 475.570 4.720 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408607162 CBJSHSDJHCXCJR-GBYSFBBLSA-N 479.964 4.645 50 40 JJGB C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408815899 SWHRYISYMFJZOX-JJFYIABZSA-N 476.124 4.734 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409318933 YTHFSNQYTHPENH-QRQIAZFYSA-N 460.530 4.920 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)c3ccccc32)o1 409392927 OIIVDRFORQFLSR-NTFVMDSBSA-N 466.497 4.624 50 40 JJGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3cccc4ccccc34)ccc2OC)cc1 2078374 OGSJHJZUYFHPEQ-OGLMXYFKSA-N 454.482 4.840 50 40 JJGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 19952900 AQPRCFBQMTZPMG-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33879918 QSMLFTPWVZTPEF-UFFVCSGVSA-N 478.324 4.743 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 34888820 FHCXUSGWNSYAPT-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 77286001 FBRAWBYQGRLCEK-PPIJSIOKSA-N 478.988 4.701 50 40 JJGB in-vitro O=Cc1cc(Br)ccc1O[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 100019315 BLLFLEXWBCJYNS-VVHHDAOASA-N 465.185 4.677 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)c(O)c3)c2C)cc1C 408740691 LUNKSBOLDFCHRK-WYMPLXKRSA-N 487.341 4.785 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br 408760748 FIQIOULVJPYNRM-NUGSKGIGSA-N 494.105 4.932 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1)c1ccccc1 408775300 FZDFNFISKNYUNF-HUZSXYRPSA-N 496.032 4.980 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCC#N 408790138 NYXWVBQRVRBMHW-RIYZIHGNSA-N 460.715 4.949 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408791867 DNMKNQHGMHJZLB-LFYBBSHMSA-N 469.708 4.753 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408870250 VRSDQGINXZNNRG-WUXMJOGZSA-N 483.103 4.608 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)c(Br)c1O 409243452 YRMHSOGNDSNITA-ZEVOCZHWSA-N 480.156 4.710 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)NCCCc1ccccc1 409252765 SVLGHQWOEFENEF-DHDCSXOGSA-N 464.157 4.573 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(F)cc1 409256794 NHKBIHDKOLVFFO-VZCCZUBFSA-N 495.938 4.570 50 40 JJGB C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC 409334546 GVBVCFUBPBKHKM-QFEZKATASA-N 485.334 4.769 50 40 JJGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 1424980 BBIQSBWWYBSQHZ-LSFURLLWSA-N 495.171 4.539 50 40 JJGB O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccc(Cl)o1 1510641 JOWKNBWXZZKJKX-QPSGOUHRSA-N 487.535 4.535 50 40 JJGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 2494630 ZCPJSNAMIRSGSS-YCRPNKLZSA-N 451.320 4.666 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 2888276 JCLWGOJGSISLEN-IEQIIXMPSA-N 485.584 4.919 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 9909993 NEONALXJMRCECY-SRIJWZPRSA-N 471.376 4.747 50 40 JJGB C/C(=N\NC(=O)c1cccc(NC(=O)c2ccccc2F)c1)c1ccc(Br)cc1 15133953 QFVMRIGLQGPQFW-VULFUBBASA-N 454.299 4.995 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)S(C)(=O)=O 20208946 YCSXRWWBLHOSNC-DHRITJCHSA-N 494.400 4.732 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1 33826165 GJRHRMUMCFFPFQ-STBIYBPSSA-N 483.524 4.638 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cc(Br)ccc1O 96600771 ANSDPUDVALIDBF-FBHDLOMBSA-N 464.113 4.941 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542011 JAGFYVWHDUIALM-KALUYTGESA-N 486.311 4.817 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408611232 QJHOGWTZQODSOL-JVWAILMASA-N 463.921 4.573 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408791216 XILNJWFYVHUNQB-JJIBRWJFSA-N 450.004 4.690 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409026691 VGURJECQWXFCEX-QZCBGFPPSA-N 495.601 4.571 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1C#N 409189555 HVSYVZQXJUOPJE-GRSHGNNSSA-N 480.362 4.874 50 40 JJGB N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C1Nc2ccccc2N1 3347644 GIXYDSSLRJENCE-UHFFFAOYSA-N 450.527 4.868 50 40 JJGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 4112974 SWQCLGPOZPAXSG-MUFRIFMGSA-N 460.541 4.895 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccsc1 8451190 NWDDJXJEFOGXNC-OAQYLSRUSA-N 492.626 4.701 50 40 JJGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@H]2CC=C(C)C[C@@H]2C)c(OC)c1 21966459 RMJITTRYQPRBOH-YJTXFXSESA-N 461.562 4.569 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28213997 ZLJQUQSRBVWYHK-KKMKTNMSSA-N 490.318 4.679 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 30743167 MKLPWWSJPGKMPV-YUMHPJSZSA-N 471.586 4.802 50 40 JJGB COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1O 32576852 JRWVMCCYKNQJDC-ZMFRSBBQSA-N 480.977 4.695 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 33709410 BLUNMTJGHFPFDL-YSMPRRRNSA-N 452.894 4.730 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 58925393 ACJAZOQDGUIKRN-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333189 FNUVLJCAXXLVSL-NKFKGCMQSA-N 491.551 4.854 50 40 JJGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 83301764 WPMQIGNIWUZVCR-YYYGAUAXSA-N 477.517 4.536 50 40 JJGB COc1cccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1OCC(=O)Nc1ccccc1 101675850 FDZZQOZNLSBQCR-NDENLUEZSA-N 477.524 4.721 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 408610567 OFHQDXISMMEDBR-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 408745543 NPWLZTYGRPKSSW-ZROIWOOFSA-N 490.151 4.778 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])c(O)cc2O)cc1 408845497 FXEGIQNTZHUZOR-YSMPRRRNSA-N 456.458 4.536 50 40 JJGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408887144 MINKIGPKRMSMEH-KPKJPENVSA-N 450.676 4.955 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409258838 VPUOTPGTLUCYTA-KGENOOAVSA-N 455.514 4.875 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409269726 MDKZCLVMOZOWLR-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1 6577833 XQLWZVPEHAQDNU-KRWDZBQOSA-N 455.967 4.885 50 40 JJGB O=C(N/N=C/c1ccc(F)cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 8711755 HATRSLCZOVPQOG-KBKYJPHKSA-N 459.428 4.918 50 40 JJGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Br)c1 15012678 GKXFJMGFBMRRPM-NYYWCZLTSA-N 470.106 4.765 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 16322775 HSTSFEKOEDRKCC-UHFFFAOYSA-N 469.651 4.629 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(F)cc1 58883007 FZAGIZMTFNENKX-ZRGSRPPYSA-N 460.292 4.914 50 40 JJGB CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 195485767 VAIZBQSGURYFDL-ZWKOTPCHSA-N 453.619 4.778 50 40 JJGB CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408790951 ZPKGALCVPVDLPY-CJLVFECKSA-N 456.498 4.753 50 40 JJGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408868199 OCKACXBBBPBNLF-NTEUORMPSA-N 480.277 4.773 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccc(OC)cc1 408879844 HKFQWOFFXSBIMH-CVKSISIWSA-N 497.345 4.840 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1O 408900084 SPYKVHHMNMHXCZ-OQLLNIDSSA-N 462.287 4.504 50 40 JJGB CSc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024849 IFLMKDJLYSKLKJ-WLXKGNRNSA-N 483.615 4.506 50 40 JJGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3F)=C2C#N)cc1 409326238 IUDBDZMJISLZNK-OAHLLOKOSA-N 474.355 4.607 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1cccc(C#N)c1 8812893 HUGGWNUJQGDDLE-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 13045547 KLZUMTNSOKKJST-JOCHJYFZSA-N 466.632 4.684 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 19953208 PPOGJKJSPSWQGH-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 20763937 QBNOIROQHOVBLM-WGOQTCKBSA-N 463.490 4.735 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)Nc1ccccc1Cl 28215543 MWFQPISDXYKJFB-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(F)c3)n2-c2ccc(C)cc2)cc1 30735376 UDLMWNMLAXEQKL-DICXZTSXSA-N 475.549 4.633 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 58871289 TWOQONZLYFPFBH-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 58913436 FKNZKBZWCGXFFW-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccccc1 408606963 MRQHKONPQFOOEC-SFHVURJKSA-N 497.954 4.953 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1Cl 408751061 VXSULZVZSHTIKM-RHANQZHGSA-N 488.927 4.773 50 40 JJGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408831290 PUXOIWOXTRKQHU-ZOODIOSSSA-N 486.597 4.573 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408879139 FQAMQOVFJOFJCQ-LFIBNONCSA-N 460.402 4.850 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(C)cc1 408893706 HTDQACYSXPAAFE-KGENOOAVSA-N 470.481 4.857 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)o1 408970822 KTEBJJQIMFARIJ-YIKVUHRZSA-N 488.371 4.540 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 409013012 SGJZQOZAAIALTJ-STBIYBPSSA-N 483.524 4.638 50 40 JJGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 1261129 SNYDPWKOIGUNBX-NTCAYCPXSA-N 481.530 4.608 50 40 JJGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 3180985 CPDRLVSAFBXIOU-MIXYLYFISA-N 479.367 4.966 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccc(Cl)c1 9014695 FQRGJKOGAAAXGE-MRXNPFEDSA-N 476.783 4.813 50 40 JJGB Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 59503037 RRXIXUIKOQEXOK-VEMXNMSTSA-N 454.983 4.957 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)COc3cccc4cccnc34)c3ccccc32)c1 408543901 QMVNXUYEQSNRPT-WCMJOSRZSA-N 492.535 4.554 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 408965545 IOPVGJKBSYWVSN-NUJZUDFISA-N 486.446 4.684 50 40 JJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I 408983005 JOCZWEKJYLHWPD-DHDCSXOGSA-N 476.701 4.811 50 40 JJGB O=C(CCC(F)(F)C(F)(F)Br)OC(=O)CCC(F)(F)C(F)(F)Br 885164120 KKHCWDOGJBTLNN-UHFFFAOYSA-N 487.963 4.863 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1[N+](=O)[O-] 1107265 DHRFZVUHKHVDKL-QHCPKHFHSA-N 475.501 4.633 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1OC 1807947 HPYTUPUAUSCOER-GCMSVZMUSA-N 463.372 4.863 50 40 JJGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 14151879 MYNXBULQPIJHLM-NTEUORMPSA-N 455.381 4.873 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C(=O)OCC)c1C 33595666 YGHNAIOYEOSFOM-XNTDXEJSSA-N 490.375 4.891 50 40 JJGB CCCN(CCC)c1nc(N)nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1 98008120 IZULONABCFTRSZ-UHFFFAOYSA-N 470.561 4.889 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 408529250 IXVIBELVUZNTAD-KVSWJAHQSA-N 473.455 4.892 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408828221 LCFPPVULHAZCNU-MFKUBSTISA-N 488.034 4.716 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 408886831 MNLQVRGPYRKOKY-XDHOZWIPSA-N 487.468 4.685 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 408924129 LHHDRXKQNWZXIF-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408949598 IMBGMRJYRSFMAT-UCQKPKSFSA-N 465.509 4.711 50 40 JJGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccs1 408969033 GBABXYTYMNKIMT-GQXANDASSA-N 490.412 4.700 50 40 JJGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408972919 HQWLOVKISSHUJT-FEYQCKCBSA-N 484.987 4.809 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1O[C@H](C)CC 409024511 ZVYPBEFAWXAZMD-BIOVLPJHSA-N 455.942 4.993 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409248562 LEFQSUFFPOXSNI-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 409310497 AMCUNTACNWXSQM-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC 409317738 SAXCDXLGHWJDCF-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB COc1ccc(N[C@H](C)C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 8398554 WALADQCSKJDDDG-LNIIIOKPSA-N 482.378 4.987 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1OC 9693106 LOPPLYAUSKBWPV-MRXNPFEDSA-N 455.967 4.885 50 40 JJGB C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 12137139 VHBKIYIYKPUHSG-UXHICEINSA-N 454.526 4.889 50 40 JJGB N#CC1=C(n2cccc2)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12377300 ADNADPBHAWZJLG-HHHXNRCGSA-N 477.480 4.506 50 40 JJGB Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c2C)cc1 13101957 FXZIIXDIDHIPLA-ZNLRHDTNSA-N 465.772 4.558 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 16322777 ABTDLKPYOSAPFN-UHFFFAOYSA-N 455.624 4.586 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3c(F)cccc3Cl)n2-c2ccccc2)cc1 19849219 FFBXMIFXSGPRMV-VYYCAZPPSA-N 495.967 4.978 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)cc1 20198195 DUBQZDLZNYBMDR-MFKUBSTISA-N 450.495 4.564 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1cccs1 20348256 DCTZQHJGZZIJCB-FQEVSTJZSA-N 481.643 4.792 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccccc1 59536248 LYJORNZSRSVFEZ-HMMYKYKNSA-N 462.527 4.707 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(Br)c(Br)o1 96476932 AXUCLWOWZUNWPW-SCDVKCJHSA-N 454.040 4.516 50 40 JJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OC 408553359 OEXZHXAFFZKRQN-NTUHNPAUSA-N 472.364 4.824 50 40 JJGB O=C(Nc1ccc(Cl)cc1)[C@@H](NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 408734110 JSQJWMKSGAINOF-VWLOTQADSA-N 485.971 4.577 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1 408778493 VLMAEEBWCLNIIB-JVWAILMASA-N 459.571 4.526 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 408967200 QNGDCXSMMMFXBF-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1)S(C)(=O)=O 409111518 DBQAMIDUTASMCS-VULFUBBASA-N 473.957 4.518 50 40 JJGB Cc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1Br 675286 JUGRLZYOHOZLPX-UHFFFAOYSA-N 468.189 4.892 50 40 JJGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)ccc1Cl 1305287 GKSGMMDURUCARK-SLTDHEAWSA-N 463.965 4.884 50 40 JJGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccc(OC(F)F)cc1 3261105 YEXNYLTUSANOAP-UHFFFAOYSA-N 464.321 4.772 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(C#N)cc2)cc1 8812861 OMAWMMDXLCENRT-VULFUBBASA-N 464.319 4.672 50 40 JJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(Br)c1O 9467338 SAFCBLXOABGCIF-NYYWCZLTSA-N 463.136 4.808 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C 27018788 SPHITAWDFJQIOG-YHHBSCGTSA-N 470.573 4.839 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)c2)cc1C 33481783 NZSDFQQQXXAYLI-MIXAMLLLSA-N 466.541 4.876 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc2cc([N+](=O)[O-])ccc2s1 109759369 YPTXXZYFOQOWIA-FBCYGCLPSA-N 499.140 4.804 50 40 JJGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2F)cc1)CCCC3 408731644 MMKAPFMYMQTHFH-MZJWZYIUSA-N 460.534 4.537 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(I)cc1 408754865 SKNOQMVMRNHRHC-PTNGSMBKSA-N 484.249 4.795 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408799347 YRMWDIQXBJEKFI-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 408921384 GZBSVHDDDBTIPU-WPWMEQJKSA-N 498.004 4.635 50 40 JJGB O=C(N/N=C/c1cc(Br)c(I)o1)c1cccc2ccccc12 408956082 ZXRWPJCWJWVBOA-DJKKODMXSA-N 469.076 4.564 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC#N 408983055 JWZWFGDKUQMWHX-AUWJEWJLSA-N 460.715 4.868 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409075923 VKYZRWDTMAGRFN-GHRIWEEISA-N 468.918 4.662 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409081746 QMQDLUSFODUQRH-QGOAFFKASA-N 452.919 4.962 50 40 JJGB C[C@H](NC(=S)NNC(=O)c1cccc(COc2ccccc2Br)c1)c1ccccc1 2794420 AWZYBFSGFGSMPJ-INIZCTEOSA-N 484.419 4.898 50 40 JJGB O=C(CCCSCCCC(=O)N/N=C\C=C/c1ccccc1)N/N=C\C=C/c1ccccc1 8614746 LIPSAVBKPCSNKY-BWNSNUNSSA-N 462.619 4.911 50 40 JJGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 46084956 CFLHDVJWNUKINB-OVXWJCGASA-N 491.547 4.851 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 169879637 GZSUIPZONAIKMO-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408570762 YFSOVFXLASWVDA-ZMOGYAJESA-N 468.556 4.653 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(F)cc1 408611199 VJRYAFJNRSLPGY-OAQYLSRUSA-N 491.563 4.862 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC 409185375 YBMHMXCGWLMNKK-AFUMVMLFSA-N 470.367 4.567 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2O)ccc1OCc1ccccc1 409312507 LMJBLPYKXKAJNH-QFEZKATASA-N 469.335 4.896 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1cccnc1 1294165 BKBNNOOYWHRSLG-WPWMEQJKSA-N 476.993 4.924 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccnc1 9007599 JQDVUERHZNREOW-MTJSOVHGSA-N 450.014 4.511 50 40 JJGB Cc1c(Br)cc(NCC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1Br 12372379 YVNXVOSHTGBZJC-VROXFSQNSA-N 491.183 4.941 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccco1 20348582 SDDBVIBPECSXQV-NRFANRHFSA-N 469.950 4.730 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 32109663 ANVVHCZEPFXHCQ-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c(OC)c1 101262138 XELQZHHCHDESJV-JOCHJYFZSA-N 465.531 4.938 50 40 JJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccccc1I 408591162 RSQXMVCSILYMKL-CIAFOILYSA-N 499.443 4.735 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 408722042 CKCFUTQBHFQEON-ZVHZXABRSA-N 486.309 4.782 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1Cl 408766754 GBDPEMHUKVJBPB-DHRITJCHSA-N 486.753 4.884 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2Cl)cc1 408777227 XAVYABUUIHDXCU-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)cc1 408882929 POQXUTACOATVKF-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408980880 TZRPGRGJPKEHIO-FOBKEZNCSA-N 481.508 4.656 50 40 JJGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1c[nH]c2ccccc12 409015108 NURQZLAZFQBYJT-UFJQWDELSA-N 489.403 4.923 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2F)C2=C1CC(C)(C)CC2=O 409132527 YMCABROFBJBRDV-RUZDIDTESA-N 475.564 4.787 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409220746 FFWXPJKHAFDBNJ-QKYYUXOMSA-N 469.541 4.806 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(I)cc1)c1ccccc1 409236021 FAWYRIZIBZTMNO-IYWFSZBXSA-N 467.310 4.866 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1 409247809 BMKGOQSIUIYXPV-RGEXLXHISA-N 489.915 4.690 50 40 JJGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1 409318937 YXYPCWVKQNNEBE-IBGZPJMESA-N 451.617 4.990 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c3ccccc32)o1 409393107 OZLWOJQGAWTXQV-LQKURTRISA-N 466.497 4.624 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3nccs3)CC[C@@]1(C(Br)Br)[C@H]2Br 4277162 MLAXNGBDVHHWPH-HYJLZEBJSA-N 487.055 4.767 50 40 JJGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1 4482439 XJGZOBMQCMQGRE-CVKSISIWSA-N 466.379 4.670 50 40 JJGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)c1c(C)nc2ccccn12 8826053 OBHJWUKUAWGJGP-KIBLKLHPSA-N 475.767 4.920 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1 9668305 SOOFBGYCRJGHLS-UFWORHAWSA-N 490.977 4.747 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 58913448 JYZLFEUTXXJABS-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccccc1 408603626 GPSPMGJBZLIIDE-LJQANCHMSA-N 479.964 4.732 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1cccc(Br)c1 408962001 WUGZHLRXMOYXTI-CFRMEGHHSA-N 468.307 4.882 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 409123745 IKDLUFTTXCWGRZ-OAQYLSRUSA-N 451.320 4.843 50 40 JJGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 409142375 LBCCLZCWVASPPH-LGJNPRDNSA-N 494.444 4.768 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225565 RBQAREIXOZDBIC-DEDYPNTBSA-N 475.932 4.589 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC 409240730 VAWCJTWKHPIRNG-JQFNYASXSA-N 490.341 4.873 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1 2422842 DWJRYELPQXMUIB-KNTRCKAVSA-N 466.497 4.740 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 9289389 XHCADXQKJPEZPC-YDZHTSKRSA-N 499.277 4.751 50 40 JJGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1 9381890 ILPPDVGJEWKSGR-GOSISDBHSA-N 472.636 4.623 50 40 JJGB COc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1 9693397 CSLAFADVEVQFEF-MRXNPFEDSA-N 456.365 4.677 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OCC)c2)cc1 10476039 KXKLCAXFCGDZTO-ZVHZXABRSA-N 463.372 4.727 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1 13838640 GPNUHKKWZHJYOD-DMBOVMDOSA-N 484.188 4.960 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2C)ccc1OCc1ccccc1C#N 23410750 GGFKKPHZIOEXFG-IIELIFRRSA-N 457.530 4.762 50 40 JJGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249037 FEXGKWJPAKQHQR-BHGWPJFGSA-N 486.937 4.596 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408587463 GCGOLBFOQVZHLN-MZJWZYIUSA-N 460.465 4.818 50 40 JJGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccs1 408969036 GBABXYTYMNKIMT-VORURNMGSA-N 490.412 4.700 50 40 JJGB C[C@H](Br)[C@H](OC(=O)C(Cl)(Cl)Cl)c1cc2c(cc1Br)OCO2 1628441 DQMHUKQSZLJGFC-RRAGMBSWSA-N 483.367 4.916 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1 2310698 FSWZTWINQZMIAN-XMMPIXPASA-N 459.571 4.805 50 40 JJGB CCCSc1nc(NNC(=O)c2ccc(OC)cc2)c2c3c(sc2n1)COC(C)(C)C3 2407987 WJOYLAAVUACUJB-UHFFFAOYSA-N 458.609 4.810 50 40 JJGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 3038335 WCFBDHRTHCLEBY-AFUMVMLFSA-N 469.335 4.750 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c1 4779752 ZVONBXQYNJQTRC-GYPYFPCHSA-N 482.334 4.532 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC3=C2C(=O)CCC3)ccc1O 13189525 OQBUNZDOVCKRIV-RUZDIDTESA-N 489.597 4.819 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 20197342 MFFDNSVJZKHFHO-WGOQTCKBSA-N 463.490 4.735 50 40 JJGB CSc1nc(-c2ccccc2)n(C)c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97982976 CIHCCKFLFHEMPW-UHFFFAOYSA-N 493.592 4.789 50 40 JJGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O 408660827 WZRCFVJZLGJVMC-SFHVURJKSA-N 499.753 4.909 50 40 JJGB O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 408888748 AATNKAFQXPXNPY-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 408891115 LRNAHUAVDMGJLF-BUVRLJJBSA-N 454.324 4.577 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408912433 QKCQWHWAJOQLSL-BPRIINSWSA-N 482.584 4.806 50 40 JJGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 409064143 BWLBIJLCGZSVHK-DTQAZKPQSA-N 456.882 4.792 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 409159938 CKVJQKIGUBTFTF-GZTJUZNOSA-N 461.503 4.707 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OCC 409320491 PZYPWGZTPWELLD-MIXAMLLLSA-N 487.556 4.740 50 40 JJGB O=C(NNc1cccc(Cl)c1)c1cc2cc(Br)cc(Br)c2oc1=O 1505840712 UDLHKIDDABVSKO-UHFFFAOYSA-N 472.520 4.728 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 2398110 MRSYZPNLCNVOOX-OBGWFSINSA-N 484.487 4.879 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccc(Br)cc1)OCO3 3628419 DPUIZYXLJWHAHY-HSZRJFAPSA-N 477.314 4.975 50 40 JJGB O=C(CSc1ccc2ccccc2n1)N/N=C/c1cc(Br)cc(Br)c1O 8809625 IMDOBAVIZMMMMK-ZVBGSRNCSA-N 495.196 4.708 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1F 10007459 ACBGMZKULYUMNX-NHCUHLMSSA-N 481.549 4.701 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(F)cccc3Cl)nc3ccccc3c2=O)cc1 16712101 ZXTFAORKGSLXAU-WKIKZPBSSA-N 480.952 4.729 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1 34701323 AWRMUNVIVZHOBO-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NN(c1ccccc1)c1ccccc1 408999888 STRJAXQLRXVIIW-RDPSFJRHSA-N 451.592 4.558 50 40 JJGB Cc1nc(Sc2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)cc2[N+](=O)[O-])n[nH]1 409190961 CVIIQXYULIXORU-MSXFZWOLSA-N 472.486 4.836 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(O)c1 409393218 VVUQVPDNIYYMQN-DHRITJCHSA-N 485.334 4.515 50 40 JJGB O=C(N/N=C/c1cc(Cc2ccccc2)cc(/C=N/NC(=O)c2ccccc2)c1O)c1ccccc1 2072676 MSZZRZWDRJEECZ-LVXWCJCWSA-N 476.536 4.511 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4c(F)cccc4Cl)CC(=O)N3C2)c(OC)c1 2434459 FLSRHSQDPCVMGM-AWEZNQCLSA-N 459.930 4.716 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 6166493 KMMSPCBDFBQXKF-YFIIOMKZSA-N 488.613 4.846 50 40 JJGB N#C[C@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 8653155 NSESCDYZPCIYJX-WERCCWLOSA-N 491.334 4.969 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)cc1 9310792 ZYVMPSZSESWLGN-QPEQYQDCSA-N 497.130 4.867 50 40 JJGB COc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1CSc1ccccn1 15930245 DOWIROZNUYUZSM-DHRITJCHSA-N 486.391 4.674 50 40 JJGB CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(NC(=O)CCl)cc21 22054244 SLLQGIJLQWWVLP-UHFFFAOYSA-N 477.948 4.564 50 40 JJGB in-vitro COc1ccc(/C=N\NC(=O)c2ccoc2C)cc1COc1ccc(I)cc1 32573597 JYFTYGIKXMJEKJ-FMCGGJTJSA-N 490.297 4.544 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 108168296 PTPBOSMIKNPCLL-STBIYBPSSA-N 467.525 4.938 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408737113 JWEMHUKSRFXQRX-ZMOGYAJESA-N 492.538 4.666 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1 409230368 CHUCQYCNUDIYJX-ZMFRSBBQSA-N 485.309 4.558 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OCC 409392834 SIDXWZDJVWMGKJ-VULFUBBASA-N 470.367 4.962 50 40 JJGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)cc1 2312625 RLLVRDNUTWPYCM-JOCHJYFZSA-N 463.584 4.752 50 40 JJGB CCOc1ccccc1NC(=O)c1c(NC(=O)CBr)sc2c1CC[C@@H](C)C2 8768928 JIHLCYJEDUFTSH-GFCCVEGCSA-N 451.386 4.857 50 40 JJGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)c1 9159687 PDOITJNFQATBHE-HSZRJFAPSA-N 450.498 4.882 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccco1 19901112 NGIJAYLWSCRZNR-HSZRJFAPSA-N 463.559 4.694 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19948554 DSEDESXYNMBBFH-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1Cl 21763043 BYUDQFULDBSZFF-QPJQQBGISA-N 454.657 4.556 50 40 JJGB Cc1oc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Br 23382925 ZMUVLFGJCAWAMH-DHRITJCHSA-N 452.352 4.673 50 40 JJGB CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408566900 BJOXFONQRCJEGY-FSJBWODESA-N 467.012 4.755 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408742339 OLAGDSRNAJWFME-ZSOIEALJSA-N 463.715 4.590 50 40 JJGB COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1I 408905328 XHUSZGIGOVPXHV-OCKHKDLRSA-N 488.123 4.526 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OC(C)C 408910079 WBHYQXSOUJTTAB-YVNNLAQVSA-N 476.283 4.663 50 40 JJGB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1 409000578 YYJACQSXVVWIMY-HJRRAOSHSA-N 479.492 4.915 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccc(C)cc1 409211641 NKDYVDIVFNTLSB-FSJBWODESA-N 490.297 4.544 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 730132 OXUBFMAGXIHONM-LGJNPRDNSA-N 480.977 4.695 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nnc1-c1ccc(Cl)cc1 1302552 DVFLFZHNNPWGBN-AWQFTUOYSA-N 484.832 4.685 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1CSc1ccccn1 2741547 AEHBDSUQGWNEGI-QFIPXVFZSA-N 469.522 4.707 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 4196368 LUHUSINXIMQQJF-VULFUBBASA-N 471.326 4.869 50 40 JJGB CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21 13567641 WQQSOTWUTCJISU-AREMUKBSSA-N 458.949 4.556 50 40 JJGB COc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N2CCCCC2)n1 98007085 ZLVLROSQGJATJQ-UHFFFAOYSA-N 469.529 4.680 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCc1c(F)cccc1Cl 408607489 DIHLCDALRBRKGV-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(C)=O)cc2)cc1 408759568 HFGMQECXTFPAGT-PGMHBOJBSA-N 483.524 4.851 50 40 JJGB O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1)c1ccccc1 408845170 PFTYHNKNTPNOCX-UHFFFAOYSA-N 494.916 4.790 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC 409017499 WYYNAAOIXDAJMF-UXHLAJHPSA-N 497.551 4.567 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(C)c(Cl)c1 409052617 VDDPOKUUUNJALB-DNTJNYDQSA-N 460.553 4.946 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ncccn2)o1 409098774 PGWKQDLQJCBWJB-FMIVXFBMSA-N 457.309 4.538 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409174206 TWBCYMWLWVJJTA-QDCCHXAWSA-N 492.373 4.531 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(I)cc2)cc1 409235018 AQFBOACAMPPWOP-QFEZKATASA-N 488.300 4.702 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1OCC 409317437 QNWYHHLZBPIEIY-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB CC(C)(C)[Si](O[C@@H]1CC[C@H]2[C@H]1OCC(=O)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 503863511 KFRMICKYMZONRP-YIKNKFAXSA-N 485.700 4.522 50 40 JJGB in-vitro O=C(C(Br)Br)[C@@H](Br)[C@@H](Br)c1ccccc1 1675761 UUUQKIQSKJSFCW-YUMQZZPRSA-N 463.789 4.571 50 40 JJGB CC(C)[C@@H]1Nc2ccc(S(N)(=O)=O)cc2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 6077012 XAUIRGBLWMLADI-VRZSJZFSSA-N 482.027 4.564 50 40 JJGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC 33857750 QGLTYFWODUNOKR-SXGWCWSVSA-N 463.271 4.851 50 40 JJGB COc1ccccc1C(=O)N/N=C\c1cc(Br)c(OCc2ccccc2)c(OC)c1 83314579 JICUIJYFINQJQA-QFEZKATASA-N 469.335 4.809 50 40 JJGB CC1(C)[C@]2(C(=O)N3CCCCC3)CC[C@]1(C(Br)Br)[C@H]2Br 100868618 VMWYZDLUGHXOAF-VCTAVGKDSA-N 472.059 4.685 50 40 JJGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408607551 DOKYSMUPSASLJQ-VULFUBBASA-N 480.362 4.734 50 40 JJGB Cc1c(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c2ccccc2n1C 408812339 MSYCJHQFTMOHKH-NGUGDGFLSA-N 480.612 4.910 50 40 JJGB COc1ccccc1OCC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408861217 ABPGBPASCUEAJB-JVWAILMASA-N 451.910 4.520 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(C)cc2)cc1 408865308 ADIZYVVYNKAECS-HAVVHWLPSA-N 473.645 4.514 50 40 JJGB COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc(Cl)cc1Cl 409012274 PYNPRXYPMXAVJD-ODCIPOBUSA-N 493.128 4.656 50 40 JJGB C#CCOc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 409217415 ULPAUWHEEJTKPV-YBEGLDIGSA-N 474.254 4.674 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409242567 ORBYHJBUQUUSFK-LZNAANCOSA-N 488.325 4.649 50 40 JJGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409332612 LAHGIIAOWGNYJB-OAHLLOKOSA-N 461.971 4.912 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 716146 KLGOKFGWQHXKAR-JOCHJYFZSA-N 488.462 4.938 50 40 JJGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9292682 MCIUHQLCSLCWDQ-HSZRJFAPSA-N 478.508 4.660 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402287 CBMICTQYUNVQEZ-VWLOTQADSA-N 478.474 4.753 50 40 JJGB N#CC(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)=C1Nc2ccccc2N1 12801467 NJJVTMSCSHCBDA-UHFFFAOYSA-N 485.956 4.973 50 40 JJGB O=C(CCSc1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 16491629 GFXWXPCJILJFGP-MKYUKRCKSA-N 490.654 4.952 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(O)ccc3[N+](=O)[O-])o2)cc1 33659352 SHVUFHSNZMCAJI-WGARJPEWSA-N 474.473 4.644 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 35363199 FTVXTGWAASLWNK-VULFUBBASA-N 488.525 4.899 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21 46085182 YEXWRIJPZODXEV-PNOGMODKSA-N 479.536 4.555 50 40 JJGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc(Cl)c1Cl 408736323 ANZMILSDDSYYFT-OCVIWRJKSA-N 475.376 4.918 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 408748065 XWADZYFPQWNWMA-XKZIYDEJSA-N 457.486 4.796 50 40 JJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)n2c1 408774634 WSQPVACRNDUAPZ-BRJLIKDPSA-N 464.367 4.885 50 40 JJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408874649 DNNUERTXLILPGL-ZVHZXABRSA-N 468.307 4.629 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC(=O)c1ccccc1 408898119 UQZQPROCOHWOAB-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2Cl)cc1 409063258 JOFDUHTWYLAJMZ-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccc(Cl)cc1 409206044 HAPGEWPXVVMIRT-ZZUBLQEUSA-N 477.948 4.954 50 40 JJGB N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(=O)Nc1cccc(C(F)(F)F)c1 409235159 BFIHXUCAHOUCBE-WMZJFQQLSA-N 456.174 4.627 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C 409377292 HPSCZTCSFRCIAI-VFLNYLIXSA-N 482.943 4.676 50 40 JJGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 6190616 DPMJGBQZILDEMC-QQNPRBCQSA-N 492.417 4.872 50 40 JJGB CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 9358006 QRSJCTRRAVNSIW-PIAKAWIYSA-N 470.396 4.542 50 40 JJGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccccc1C(F)(F)F 13881433 MTUBGVOVYVLSFW-WYMPLXKRSA-N 456.262 4.727 50 40 JJGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 19949041 OZRKCNCGFMBMIR-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1F 20348420 SAASOXQVMRHGFU-DEOSSOPVSA-N 477.561 4.931 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c2C)c1 106953429 AFQGROIXUCYHOW-WKULSOCRSA-N 450.542 4.975 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 169879912 IIFRSXSNCJYZIJ-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(C#N)c1C 408545996 BRSLZNPEXFUHRF-WOJGMQOQSA-N 488.521 4.870 50 40 JJGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 408606148 OVAUJJVWEOVGSY-SFHVURJKSA-N 474.464 4.913 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1[N+](=O)[O-] 408745946 BFIKQDOZUVDXPE-MIXAMLLLSA-N 482.540 4.697 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1C#N 408795504 VPIFHWBZXRMXGN-RGVLZGJSSA-N 454.442 4.600 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409131543 VYZIKNNPSWUPDG-JOCHJYFZSA-N 494.301 4.860 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(OC)cc2)cc1 409220391 YLZWXDCSYRXUDQ-XUZCICLTSA-N 464.905 4.740 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(OC)c2)cc1 409223007 FAFFDFKZJHFREW-DICXZTSXSA-N 479.920 4.680 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NC(N)=O 409230468 DRXJKXNXURNLLE-JYOAFUTRSA-N 459.116 4.981 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409255494 LCPVUPPGORFCKB-QFEZKATASA-N 466.335 4.539 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OCC 409323199 ZHIUINYKBUQWQM-YUMHPJSZSA-N 462.502 4.525 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccc(C)cc1 2078192 BJRMZHFKPGRFIK-VULFUBBASA-N 497.345 4.758 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1cccc(Br)c1 2319571 VOAKLMXTXNIWGJ-LSFURLLWSA-N 499.221 4.794 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1OCc1cccc(Br)c1 3088801 ZZMQUGRJYAEFOM-WYMPLXKRSA-N 453.292 4.521 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 4643970 FAXRIZWWUXYYEA-HZHRSRAPSA-N 465.509 4.711 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1OC 8843190 MSWRHONEJMDZKN-TWKHWXDSSA-N 471.601 4.922 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC3=C2C(=O)CCC3)ccc1O 13174764 LAAIYGSXPNWGSX-DEOSSOPVSA-N 489.597 4.819 50 40 JJGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 28214754 LEZBZKXPQHZVMP-JVWAILMASA-N 461.587 4.646 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 59146086 CEFXLVCLEUVRGE-NMWGTECJSA-N 488.341 4.920 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1O 100833996 JMVDPUAIVCLFHL-DIBXZPPDSA-N 471.586 4.889 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 408598674 IDVHLYKGOKKFKC-DHRITJCHSA-N 479.290 4.572 50 40 JJGB N#C/C(=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1ccc(Cl)cc1 408753267 FZZZJBWJMSOXGC-WJDWOHSUSA-N 483.889 4.562 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 408862120 CMQWKKFNYMDJLW-TURZUDJPSA-N 491.613 4.720 50 40 JJGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 408896831 UAHAGCLIAWFTSO-RCCKNPSSSA-N 476.554 4.879 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408978792 KFVGNFJHASLBFH-MTDXEUNCSA-N 498.048 4.847 50 40 JJGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)c(C)c3)=C2C#N)cc1 409318856 YEPJGMBCOXOWNX-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 409366163 SUKRCVJJDQHFPE-MZJWZYIUSA-N 466.921 4.739 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)cc2)cc1 9635213 WQJJUCWWBLQXEA-RWPZCVJISA-N 489.519 4.598 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OCC)cc2)cc1OC 12276095 GVSMDFSSORPCMG-RXFWQSSRSA-N 480.586 4.526 50 40 JJGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 19948603 BXWBYGKQPSLYEQ-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB CSc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 58919209 BUUGBCUFISMIQF-IAWFGPOKSA-N 461.612 4.947 50 40 JJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 59447408 AJVNFXVBNMYFIM-ZVHZXABRSA-N 468.307 4.629 50 40 JJGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc3ccccc23)cc1 59515882 RZXJUGJQJZWBLO-ZTKZIYFRSA-N 485.609 4.532 50 40 JJGB CCCOc1ccc(/C=C(/C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 408547480 XMZBMUVIFSUYBK-AQTBWJFISA-N 469.559 4.918 50 40 JJGB O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408611872 XFCCDBSVNYTUPQ-KRWDZBQOSA-N 453.901 4.554 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 408758838 SFZUAQQDEOFEMT-WGLQLPMYSA-N 488.009 4.752 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408791094 TXCUUJCXTJZNFW-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 408857559 KTSZLAYYRWPZLG-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 408878461 AXAVRBMMOTYUFH-OGLMXYFKSA-N 493.629 4.665 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 408895733 LUAIFEOMAZVPNK-CVKSISIWSA-N 463.490 4.653 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 409139948 PIQONGZEYKTASB-OAQYLSRUSA-N 469.310 4.982 50 40 JJGB CCOc1ccc(NC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409187351 PHIFZBCJEJKHSY-YSMPRRRNSA-N 463.490 4.527 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)cc1 2325125 PPJKSWBPPJCUET-GOSISDBHSA-N 456.365 4.677 50 40 JJGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 13058609 NOIFQLUYWSVCQQ-KPKJPENVSA-N 494.139 4.854 50 40 JJGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3c4ccccc4cc4ccccc34)CC2)cc1 22933010 GPFONNHNBNEEIP-NDZAJKAJSA-N 450.586 4.569 50 40 JJGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 28213660 UDSIBMVKTKRTEQ-IIPRTONHSA-N 489.641 4.943 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c(OC)c1 58913590 GTDCITFUTDCPGN-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 408758837 SFZUAQQDEOFEMT-QVGKIPNLSA-N 488.009 4.752 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C(=O)O)cc1 408787675 DLNDBNBBSZGYMT-DEDYPNTBSA-N 458.470 4.614 50 40 JJGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2ncccc2c1 408967879 VNJSLOUHIODTTJ-VULFUBBASA-N 459.531 4.793 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 409184022 HUHMPDBIJRAARA-AUEPDCJTSA-N 488.165 4.858 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1F 409230453 DNHYIIBHJUKCQY-KBKYJPHKSA-N 488.972 4.716 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409269878 ANLUVDSFPMZCGW-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1 409321326 FXEOJZHLCRPODQ-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409363461 LYPXQOATRKERPL-YUMHPJSZSA-N 461.518 4.882 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1 1479422 RVKWKMQORUYBEA-WPWMEQJKSA-N 476.993 4.924 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)n1 3234511 FOSYUWNVQMVRMN-FOKLQQMPSA-N 471.380 4.618 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N 8812821 ZXRQCUPGRVKBCL-VULFUBBASA-N 464.319 4.672 50 40 JJGB Cc1ccc(CSc2ncc(Br)c(C(=O)NNC(=O)c3ccccc3Cl)n2)cc1 11916961 AURIQKLPCMDDTJ-UHFFFAOYSA-N 491.798 4.568 50 40 JJGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(Cl)s3)c2)cc1OC 20158285 RFZZJKPOPQNJRQ-VULFUBBASA-N 471.966 4.754 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)CC1 20240562 IOHBBMNRNXIVKG-NJZRLIGZSA-N 478.596 4.935 50 40 JJGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N2C(=N1)SC(C#N)=C2N 408602645 DADBFDJMTNGEOE-LJQANCHMSA-N 499.936 4.845 50 40 JJGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O 408644014 GRLPXJBLDXQWIA-SFHVURJKSA-N 499.753 4.909 50 40 JJGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc21 408746729 GHVBAIRLCDXDIE-PTNGSMBKSA-N 452.308 4.513 50 40 JJGB COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408747995 WTVZOAINCZQSHH-GHXNOFRVSA-N 466.129 4.774 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1cccc(F)c1 408897572 YHXCGQCXULVLKL-LGJNPRDNSA-N 495.557 4.906 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)o1 408926296 WXQOPHJFPVWRTO-SSDVNMTOSA-N 468.516 4.716 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(F)c1 408968369 WCNMVMZSZWXEPT-RPPGKUMJSA-N 497.280 4.711 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)cc1)c1ccccc1 408978301 HWVYXYLZBMYPPZ-MJHSOURCSA-N 475.545 4.602 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(O)(c1ccccc1)c1ccccc1 409185444 ZARBLBJOTMWMHS-WPWMEQJKSA-N 468.538 4.693 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1C 409195283 OCJAKAMMFWRPHI-TWDAMHRMSA-N 457.530 4.609 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409252611 CPHBJJMMPMZWTR-SFQUDFHCSA-N 477.904 4.617 50 40 JJGB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1 2096900 KFNVAFXIQUTRGM-MQRLXVCBSA-N 488.592 4.958 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1I 8812245 UXGGREDDHRLPHN-FSJBWODESA-N 461.278 4.602 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19926457 FAZJVCGJLYVUHO-VULFUBBASA-N 490.412 4.956 50 40 JJGB CSc1nnc(N2C(N)=C(C#N)[C@H](c3ccc4[nH]ccc4c3)C3=C2CC(C)(C)CC3=O)s1 31820032 FWPAMEZBCGPVOX-SFHVURJKSA-N 462.604 4.682 50 40 JJGB CC(C)c1ccc([C@@H](CNC(=O)NNC(=O)CCc2ccco2)N2CCc3sccc3C2)cc1 58278145 CPHOAELTKPWZJQ-HSZRJFAPSA-N 480.634 4.527 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 59266466 YDUCXRKHBRAEOS-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB NC(=O)N/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 95116847 WAYVAXUOQJBWHW-WMGMBDKSSA-N 471.344 4.543 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(C)C 409129952 SVGILZGZYIMAMK-XMMPIXPASA-N 467.610 4.503 50 40 JJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409360478 ABQBBDPFFUGAOU-AUEPDCJTSA-N 477.702 4.833 50 40 JJGB C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c(cccc31)[C@](C)(c1ccccc1)CC2(C)C 10075441 IUVBMXOKIJIXAJ-LAKYPUFTSA-N 479.580 4.736 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2C)cc1 48304100 IZFBGOIVHPVZSF-MOHJPFBDSA-N 482.584 4.887 50 40 JJGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 100951231 LUEWXARNPMWZHP-ZVHZXABRSA-N 466.541 4.857 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(F)cc1 408606740 APGWJRXTVTWYTB-RWPZCVJISA-N 463.509 4.509 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1 408926628 XGRFUZZHOKAIFR-LDADJPATSA-N 495.944 4.612 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)C(=O)Nc1ccccc1 409067251 CDJSYUVBYNNPGS-GHRIWEEISA-N 483.343 4.762 50 40 JJGB CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)cc1OCC 409218439 ITYSBBFQHAOEAR-QFEZKATASA-N 456.882 4.714 50 40 JJGB CC(=O)C1=C(C)NC(SCc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 8934479 ANLZFHYVCGULOQ-NRFANRHFSA-N 450.476 4.721 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216838 PFXDGAJOAFBQJA-RWPZCVJISA-N 485.415 4.997 50 40 JJGB CSc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc4[nH]ccc4c3)C3=C2CC(C)(C)CC3=O)s1 31820029 FWPAMEZBCGPVOX-GOSISDBHSA-N 462.604 4.682 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 33529246 JFORKOUZWVLVAN-MZJWZYIUSA-N 484.936 4.606 50 40 JJGB O=Cc1cc(Br)ccc1O[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 100057939 BLLFLEXWBCJYNS-DMSXTEQDSA-N 465.185 4.677 50 40 JJGB C[C@H](CC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(=O)Nc1ccc(F)cc1 199414094 ROBDMPAGGYJFHF-NSHDSACASA-N 493.379 4.679 50 40 JJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 408727350 FBJPFVKFFKYEKR-SSDVNMTOSA-N 462.687 4.964 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O 408746380 YSAQTYFRKWQNFI-WUXMJOGZSA-N 483.103 4.613 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1)c1ccccc1 408779107 RHWYFMSRFDLYFT-RTMIEATFSA-N 461.587 4.574 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408798575 VZBXMXQTFRGPPS-KGENOOAVSA-N 471.469 4.896 50 40 JJGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cc(Br)cc(Br)c1O 408959661 CSIDIVVLTDDJMQ-WSDLNYQXSA-N 481.188 4.671 50 40 JJGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409041103 IHULBXATLYYETJ-MDWZMJQESA-N 478.115 4.908 50 40 JJGB N#Cc1ccccc1COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409244041 WQHXWYUVVPUTRW-VYYCAZPPSA-N 466.310 4.732 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OC(C)C 409249275 KANBSJSAZXVUOT-UNOMPAQXSA-N 457.368 4.901 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1C 409268100 ZPFSHPPVEDNLFU-XSFVSMFZSA-N 471.513 4.663 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1Cl 956037 SQSDSMOXINJCJW-JJEHFPDLSA-N 476.964 4.794 50 40 JJGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Cl)cc(Cl)c2OC)C(C#N)=C(N)O3)cc1OC 970208 QBESGNYLYZLINL-KRWDZBQOSA-N 473.316 4.627 50 40 JJGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 1415733 DCWDQQXUVRSGQO-OPEKNORGSA-N 486.435 4.687 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1C(=O)O 2361130 GMMWQUVQZKQFFI-WYMPLXKRSA-N 494.623 4.924 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Cl)c(C)c1 9678550 BGBGJUVHVVWEPA-CPNJWEJPSA-N 466.921 4.931 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(C)cc3)CSC2=C1C#N 9693474 UXVNURGKXSBMLE-KRWDZBQOSA-N 470.392 4.986 50 40 JJGB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)CCl)[C@@H]2c2ccc(N(C)C)cc2)cc1 12867600 ZKHYWXJUPMAJAS-DEOSSOPVSA-N 469.994 4.541 50 40 JJGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O 14166202 AHTMEYZBLXUCLF-XHLNEMQHSA-N 499.592 4.942 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1F 20348425 LYWBMKCGPPIHKW-XMMPIXPASA-N 477.561 4.931 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC(C)C 20760835 ZYVSZENKPQJWDK-UFFVCSGVSA-N 470.161 4.771 50 40 JJGB Cc1cc(/C=N\NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c(C)n1-c1ccccc1 33789718 RHSRTAABEAFRMF-UILJDSEWSA-N 474.649 4.901 50 40 JJGB COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c1 102602523 OIHALDHBRDERFX-JOCHJYFZSA-N 465.531 4.938 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 408806317 AKJFRZWEHUFPQN-DICXZTSXSA-N 458.470 4.873 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cccc(C)c2)cc1 408827295 GMZBUMPNQQUVDX-JVWAILMASA-N 463.603 4.574 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 408891405 QEMZHAAWPAYQDS-XDHOZWIPSA-N 487.468 4.685 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)cc2c1 409187655 SWRFWJMMGSBZPT-NTFVMDSBSA-N 487.512 4.622 50 40 JJGB Cc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)N(Cc4ccc(Cl)cc4)c4ccccc42)C(C#N)=C(N)O3)cc1 664643 QRZFRLKQSLSATI-NDEPHWFRSA-N 493.954 4.958 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC(=O)c1ccccc1 1438751 ULELUFGGEZXKIO-DEDYPNTBSA-N 456.454 4.548 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(OCc2cccc(Br)c2)cc1 2166350 WYXAMTSQEDFVJJ-SRZZPIQSSA-N 460.309 4.762 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccco1 2310786 UEUGYZDYKKOLPJ-QHCPKHFHSA-N 463.559 4.639 50 40 JJGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1c(O)ccc2ccccc12 3092118 YJUPUBXYKDZLHM-AUEPDCJTSA-N 477.156 4.633 50 40 JJGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9122186 LIHGXXKOLJJAQS-SFHVURJKSA-N 453.365 4.991 50 40 JJGB O=S(=O)(/N=C(/Nc1cccc(OC(F)(F)[C@H](F)Cl)c1)C(F)(F)F)c1ccccc1 16247987 KSQDJFCCOUJVIE-ZDUSSCGKSA-N 460.783 4.954 50 40 JJGB Cc1csc([C@@H]2C(=O)NC(S[C@H](C)C(=O)NC3CCCCCC3)=C(C#N)C23CCCC3)n1 17011897 IVGQIMCIHQIGLR-APWZRJJASA-N 472.680 4.921 50 40 JJGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 19952904 QSNXRSGQHIINHN-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB N#C/C(=C\c1ccccc1I)C(=O)Nc1sc2c(c1C#N)CCCC2 59116634 OFAUTYRRZMQPHS-UKTHLTGXSA-N 459.312 4.649 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 83311563 FCHUQZGTFVLGSH-QRVIBDJDSA-N 454.280 4.700 50 40 JJGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCc1c(F)cccc1Cl 408609878 SJRIGEIQLAAQAJ-MRXNPFEDSA-N 483.927 4.563 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408610998 VIADUYSURPNGSI-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)ccc1Cl 408727913 YPFPITULAZVUDP-AUEPDCJTSA-N 477.698 4.619 50 40 JJGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 408986002 BQBVJNMPSKBHPG-ZSOIEALJSA-N 463.715 4.508 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409133847 QSZNFEFZOUIHEH-QFIPXVFZSA-N 494.301 4.860 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409149307 BEOLDNOPTUIQJV-AFUMVMLFSA-N 498.333 4.638 50 40 JJGB COc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)ccc1OCc1ccccc1 409313157 NCBTUDSPTIPPSF-WGARJPEWSA-N 454.910 4.709 50 40 JJGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(=O)OC)n2)cc1 1245223 ZHHULYUHNQDLHT-DTQAZKPQSA-N 465.531 4.989 50 40 JJGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1436475 KBTPEWWOTLYDCN-NRFANRHFSA-N 453.420 4.739 50 40 JJGB COc1ccc([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 8916382 HPGUVEYBMOVTFT-ISKFKSNPSA-N 481.556 4.509 50 40 JJGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)N=C(O)[C@H]2C(=O)OC)cc1 9088805 HCPKACSRFAFNHI-YADHBBJMSA-N 493.585 4.652 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)/N=C2/N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 33785942 ROBKIEPIALALFX-SXJIZGMESA-N 473.330 4.596 50 40 JJGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2c(ccc3ccccc32)o1 38191035 NCTOYSKTPHNTIQ-LSHDLFTRSA-N 454.236 4.726 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccccc2C)cc1OC 408877668 XNUVKCDYWCUXFR-FSJBWODESA-N 463.397 4.714 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(C)cc2)C2=C1CC(C)(C)CC2=O 409134395 ODJICJPZTKWHQY-AREMUKBSSA-N 471.601 4.957 50 40 JJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409380841 IULPNFAISFYBCB-ZROIWOOFSA-N 455.268 4.713 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1061811 OKNKNTHICQAMOS-HSZRJFAPSA-N 470.554 4.532 50 40 JJGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2ccccc12)c1cccs1 3185074 IZPIXNBGKAOSQJ-FNLZXBKISA-N 466.566 4.874 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2OC)cc1 35199664 CSISDGFPUCQYQZ-CAPFRKAQSA-N 471.513 4.657 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408609629 KSGLYKYYMUUZCR-JVWAILMASA-N 465.937 4.797 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 408692540 OVGLNOVSEIEZEZ-CCVNUDIWSA-N 466.969 4.875 50 40 JJGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)OCc1ccccc1 408737034 LCCDNJUKRAJWBU-HQYUJTHISA-N 474.948 4.809 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)Nc1cccc(Cl)c1 408766650 WGSUZLPSVIULMT-DHRITJCHSA-N 486.753 4.884 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2cccc(Cl)c2)cc1 409059275 MBJKEVVVMPWASL-VULFUBBASA-N 490.412 4.643 50 40 JJGB Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)c1 409131526 YDKVAQMWNMYDQN-UHFFFAOYSA-N 479.330 4.771 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409217134 SEQSPGTWTJGCBN-OQLLNIDSSA-N 462.243 4.837 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1O 1761465 OFGSXGAVMOXQRN-FSJBWODESA-N 470.645 4.815 50 40 JJGB COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)ccc1O 3193637 UCRWVVHXYJDMAE-VULFUBBASA-N 491.345 4.780 50 40 JJGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 8427001 ROQIKHODVGMGPX-JVWAILMASA-N 484.468 4.928 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC3=C2C(=O)CCC3)ccc1O 13174765 LAAIYGSXPNWGSX-XMMPIXPASA-N 489.597 4.819 50 40 JJGB CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 14359109 WRWBFSZOYJFVBR-PTGBLXJZSA-N 490.581 4.710 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20240455 SWLQJGOSJGKUAR-JJKYIXSRSA-N 470.617 4.557 50 40 JJGB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1 20760553 AKVWQNZGIWCTRS-CVKSISIWSA-N 482.378 4.726 50 40 JJGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(I)c1 59473402 DAUUYIVFUHBVQT-ZICWZVMQSA-N 458.752 4.966 50 40 JJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 408953246 PJLLPFJMRZOAMV-KQWNVCNZSA-N 453.542 4.573 50 40 JJGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccn3-c3cccc(Br)c3)oc12 409014084 OUPOOSIMWFIFKV-FSJBWODESA-N 483.278 4.667 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409175111 QAZCUIFQKYQAQM-IPPDYPEDSA-N 461.949 4.731 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 2266750 REEVZRFKMJFRMA-ZCTHSVRISA-N 465.553 4.637 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)C(Oc1ccccc1)Oc1ccccc1 3089607 REXXLZHCQMWISW-PCLIKHOPSA-N 469.335 4.782 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 3889389 RYPMPLIPWBXYMG-SRZZPIQSSA-N 476.916 4.849 50 40 JJGB COc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc(Br)c1OCc1ccccc1 8826065 UWWMBINPHZAESG-VULFUBBASA-N 493.361 4.757 50 40 JJGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1cc2cc(Cl)ccc2[nH]1 9762940 QOGKAGTZLIHOGV-UHFFFAOYSA-N 460.921 4.727 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1C 19949376 VCNNICJBBUHLKN-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1I 33410106 RKKARQTUUVJLCT-LCYFTJDESA-N 497.130 4.998 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 408610865 OUGILHMSPGAWRT-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408731538 NNJYSCCWNXOUNG-RWPZCVJISA-N 476.533 4.752 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408788830 MGTXJBLQGZSZFH-LICLKQGHSA-N 457.324 4.554 50 40 JJGB N#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408858364 RRUVYBJPOMWYBC-YVNNLAQVSA-N 477.112 4.624 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408875530 JUDXHVYMXKVSDY-LSYVUISISA-N 494.960 4.786 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OS(=O)(=O)c1ccccc1 408892253 AEMYJRMDDVWDRT-SAPNQHFASA-N 468.918 4.662 50 40 JJGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 409105557 LAZWSTFSQVRRAT-YBEGLDIGSA-N 456.340 4.612 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)sc(C)c1C 1453435 CYGBHNJQJARGGR-RIYZIHGNSA-N 463.353 4.858 50 40 JJGB CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 2121911 SEQRKWRFGOQOGQ-WVOIHLJESA-N 459.590 4.807 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccc1[N+](=O)[O-] 9076427 QXQHBAHDAZELJK-MXAYSNPKSA-N 479.949 4.889 50 40 JJGB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cccc1c32 22716133 IQEVPKFCSDMSDM-BCOMRZATSA-N 479.536 4.722 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(F)cc1 408611761 SCTWVVZQGFPATK-VFLNYLIXSA-N 489.425 4.521 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408796515 YMLOOKGIBGYSEH-VCHYOVAHSA-N 456.926 4.843 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409002821 WOOPKNQZNZUQEG-IPPBACCNSA-N 499.910 4.917 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC(=O)O 409040123 HISQCJKZIWARST-NTFVMDSBSA-N 469.497 4.528 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2428149 SHWHLPJUAXASDT-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 3240770 UPAFHHLFDUXLGL-AWNIVKPZSA-N 472.341 4.822 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccccc1NS(=O)(=O)c1cccs1 6144300 XPHBFGPZSBNQAC-ZVHZXABRSA-N 469.519 4.712 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1ccc(F)cc1 8812283 GLQRYXQOBNADBW-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB N#CC1=C(N)N2C(=C(C#N)[C@@]13C(=O)N(Cc1ccccc1F)c1ccccc13)Sc1ccccc12 15085262 AYWKNEUHCTVDOB-MHZLTWQESA-N 477.524 4.665 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F 58911812 UQHZVBLWSKZUHH-VFLNYLIXSA-N 476.886 4.533 50 40 JJGB O=C(CBr)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210701 FZFIQRSUZUJVIW-SECBINFHSA-N 459.962 4.830 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I 408745666 UWIVZJWVOOFEGW-WQLSENKSSA-N 483.103 4.608 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408748023 XDLJWMQRCKRFET-UUYOSTAYSA-N 456.498 4.616 50 40 JJGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccc(I)cc1 408753926 LDONUPDVPLVPPS-WQLSENKSSA-N 453.077 4.599 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O 409127649 FBYKWKSTIUMUQN-RWPZCVJISA-N 489.519 4.744 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I 409245427 SUYAETKXAXAGGL-GHXNOFRVSA-N 472.204 4.864 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OC 409318232 VFCMDIIRQYUQPX-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(Br)c1 409388643 VXKYIWDKUPRQOC-NHDPSOOVSA-N 475.346 4.995 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 1887771 IFGMCQPCSDIBKI-FYAMCCBRSA-N 471.557 4.877 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1OC 2326074 WGVCQGHSSTWPPD-JVWAILMASA-N 495.649 4.912 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 3177671 FZMIDGFBSKQYFP-RUZDIDTESA-N 465.486 4.817 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 8842916 NFEKMEACKNRJAO-MZJWZYIUSA-N 457.408 4.885 50 40 JJGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCC)c(OC)c4)c32)cc1OCC 9291516 SUFJLFIJHKYPKZ-HSZRJFAPSA-N 490.560 4.890 50 40 JJGB O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)N1c1ccc(Br)cc1 9313338 TUYDMNZCCBZQRW-AQTBWJFISA-N 488.769 4.947 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nnc2-c2ccccc2)cc1 9428090 JIANZGCPBMJTOJ-ITYLOYPMSA-N 457.559 4.575 50 40 JJGB Cn1c(CC(=O)NNC(=O)c2cccc(CSc3ccc(Cl)cc3)c2)nc2ccccc21 9441730 UTGGMKNQCMKYAI-UHFFFAOYSA-N 464.978 4.523 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OCC 12276104 HTKMVBBZLRJWFW-RXFWQSSRSA-N 464.587 4.826 50 40 JJGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@@H](Br)[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 118927105 BJQVYOSLJSLGJU-HWPRMSHTSA-N 453.417 4.718 50 40 JJGB O=C(N/N=C\c1ccc(Cl)cc1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408732437 RJZCYDNYJPVKTQ-WKIKZPBSSA-N 462.962 4.743 50 40 JJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 408766806 GTSGNNYLAPGNHE-OYKKKHCWSA-N 476.584 4.939 50 40 JJGB N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 409093369 ZDRZKDWWPHOBBV-XNTDXEJSSA-N 475.373 4.749 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OC 409337519 YNUXKQGAMOIKQC-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 1250803 AQKHVSBPPCAXAN-QHCPKHFHSA-N 495.988 4.783 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 1824867 KKOUALNAPAHXHA-JFLMPSFJSA-N 459.550 4.933 50 40 JJGB Cc1ccccc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2240321 OBMXVOWDJYONMS-JFLMPSFJSA-N 488.638 4.877 50 40 JJGB CCCCCCc1cc2cc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O 8398560 CHPLGIBGOUPNAH-MFKUBSTISA-N 451.479 4.684 50 40 JJGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCC(c4ccccc4)CC3)c2)cc1 9090834 PHDHSJRSNKDZIP-UHFFFAOYSA-N 477.586 4.940 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(I)c1O 408765656 XACUVZDFFMEACZ-WMZJFQQLSA-N 489.096 4.858 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(Cl)c2C)cc1 408776247 VWUGVRSUZSSMRM-VULFUBBASA-N 490.412 4.956 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408962622 IMFCLIMGLCXHKK-BHGWPJFGSA-N 457.246 4.805 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccccc2F)cc1 409005422 INBIEDVMFNFXKO-LQKURTRISA-N 481.593 4.599 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 409117203 QNUSMJRCTLEIGV-OVVQPSECSA-N 487.984 4.832 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 666757 ZPSDQLDEYFXZPD-XQNSMLJCSA-N 469.545 4.567 50 40 JJGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(F)cc1 9323633 ZZQQEXOHYOMQAL-FJEPWZHXSA-N 461.468 4.916 50 40 JJGB CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275479 AGDSSCLYPTXOQF-OFVILXPXSA-N 450.560 4.516 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1F 20348427 CSXFEYKEKLHJRD-DEOSSOPVSA-N 477.561 4.931 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1 408878936 DENUMGPGVWGIMM-XMHGGMMESA-N 457.442 4.677 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1 408953305 PPGFCWHORNDZRZ-XKZIYDEJSA-N 496.523 4.930 50 40 JJGB O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(Cl)c(Cl)c1 408953887 QLJVBDSYUPNFGL-YAXRCOADSA-N 487.906 4.717 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409265068 MLVUPBXZMYXVPU-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1 3166732 KYXWACKZRJFGHU-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 13424058 RVPBTPXETFKBGB-SFQUDFHCSA-N 468.918 4.662 50 40 JJGB COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OC 16195122 JAAGNXQHIVBYJH-ZVBGSRNCSA-N 457.777 4.503 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 27017791 DBKXXUBFTNZHKW-JYACYGOOSA-N 456.546 4.530 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OCC 408719644 IORDJQMNANBGNG-YDZHTSKRSA-N 463.397 4.796 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC 408743126 DSYYYEJWWFICAR-KPKJPENVSA-N 466.129 4.774 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408787077 QRWZPLDPKJNSME-LGJNPRDNSA-N 472.328 4.540 50 40 JJGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)cc1OC 408813894 DYCXRWXXMINIQP-OQLLNIDSSA-N 459.727 4.977 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1 408847309 TUGITPAOIAOBMU-YSMPRRRNSA-N 485.456 4.739 50 40 JJGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 2211542 QFFHNXKFPCZSSZ-LGJNPRDNSA-N 483.380 4.935 50 40 JJGB O=C(N/N=c1\cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)cn1)c1cccc(O)c1 8742297 VEFGSPNTBQPXLO-HPNDGRJYSA-N 451.313 4.797 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)OC)C(O)=N2)cc1 8969719 LIXOVGJUYAIPQQ-LEWJYISDSA-N 483.977 4.852 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(Cl)cc2C)cc1 20060034 GKYMDJFMCGJOCB-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080569 YIAUSSHAOKBCRN-ZQNOARAVSA-N 491.588 4.524 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)c1 108107979 XYXSUAPBERQBLN-AUEPDCJTSA-N 464.261 4.943 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC)c(OC)c2)cc1 408725138 HKQOUOFZALPFDL-GDNBJRDFSA-N 492.313 4.643 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 408794417 JAJHVTBKYDKNOF-XSFVSMFZSA-N 475.932 4.589 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)ccc1Br 408968731 YHMORRKESLVMBX-RPPGKUMJSA-N 453.315 4.940 50 40 JJGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408977419 DGEPKHCCPYCDKH-BULNNFJJSA-N 481.508 4.656 50 40 JJGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 409010108 JNZHTKOQFQDJKS-DHRITJCHSA-N 463.335 4.748 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409046163 JFGLFRPSWXTMRO-GZTJUZNOSA-N 477.904 4.617 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 409268745 YNSAGKKUNCJOAM-STZFKDTASA-N 455.514 4.875 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1OC 409304505 RRHYJYVWMLSOHZ-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 2212422 GORSOGQLXBOOOA-GBWQBGJGSA-N 454.917 4.642 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 2360494 FVIXXHKDODOQBT-UFFVCSGVSA-N 465.025 4.735 50 40 JJGB O=C(N/N=C/c1ccccc1OC(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3213475 ZYKQEKXPBXIVTK-DHRITJCHSA-N 479.892 4.506 50 40 JJGB COc1ccc([C@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 8916381 HPGUVEYBMOVTFT-UPVQGACJSA-N 481.556 4.509 50 40 JJGB CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476038 ZAFBCNIMMDWEKL-BUVRLJJBSA-N 463.372 4.728 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCc1ccccc1 18190933 ULGOZHUQVFVVLL-HSZRJFAPSA-N 452.466 4.599 50 40 JJGB C/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22562377 GHDAVXLKMHMGEI-LXXZAFCOSA-N 456.329 4.820 50 40 JJGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 46084999 XLZFCJLPLHJDLL-FVDSYPCUSA-N 457.530 4.642 50 40 JJGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC1CC1 59087231 ALOBQOLLCZGWGC-FOWTUZBSSA-N 450.336 4.668 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 105059772 VUFAXRISWHFCFW-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408788794 HGSFSNPALCRYPY-NLRVBDNBSA-N 469.994 4.638 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 408887214 MQLBOPUKHXOMNM-OVCLIPMQSA-N 472.295 4.785 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409203477 YEWFABCXKWDZEP-AFUMVMLFSA-N 453.951 4.600 50 40 JJGB O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 409221740 AOHBCGZTOHMYQH-UHFFFAOYSA-N 463.493 4.922 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)n1 409235776 QMYZGYYUTFWWDU-LGJNPRDNSA-N 488.573 4.555 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)c1 409268417 ZPWUKENMZXCRFD-WGARJPEWSA-N 480.362 4.847 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OC(F)F 2630339 VHXHZRKJJNZCMS-JFLMPSFJSA-N 479.512 4.778 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9057426 ZKGFJPLEFVRAOE-RVDMUPIBSA-N 492.831 4.921 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccc(C)cc1 18173281 IBUJWPOMIXOVER-RPPGKUMJSA-N 482.334 4.534 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333244 YURTWCNDCFYMER-HKWRFOASSA-N 496.405 4.668 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)Cc2ccccc2)cc1 59443798 IDGSAGZHKXPZIS-VULFUBBASA-N 490.412 4.643 50 40 JJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc(I)c1 71325866 JHGHAMQVPBAHSR-SRZZPIQSSA-N 450.663 4.969 50 40 JJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Br)[C@@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118927291 ZRFUNSREDKBRDI-LXGBQXIBSA-N 453.417 4.574 50 40 JJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408747683 RNRZYDAANPBQCF-NVNXTCNLSA-N 464.157 4.834 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1C 408906668 CZWFRKWOPOOUIN-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NN(c2ccccc2)c2ccccc2)cc1 409003362 SFZBLCHVCMYEEN-DEOSSOPVSA-N 451.592 4.558 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2413153 RROOZJNDIJQIEN-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccccc1 3092042 SKXOBZJZDVVNCV-DNTJNYDQSA-N 489.993 4.536 50 40 JJGB O=C(CCn1c2ccccc2c2cc(I)ccc21)N/N=C/c1ccccc1 6445983 RLOTZVKPXPZMJD-BUVRLJJBSA-N 467.310 4.940 50 40 JJGB O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1Cl 12289548 VRNRCEBRIXXCGF-UHFFFAOYSA-N 458.779 4.811 50 40 JJGB O=C(COc1ccccc1Br)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 14920676 RBIQCPKHQIRDJQ-CVKSISIWSA-N 475.346 4.831 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)c1 33571213 LYPZKHMFGVIELU-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C 33667170 NTPZYBNGUNYFQZ-JFLMPSFJSA-N 472.501 4.937 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 408752958 DOPQNPTYZCQZKT-SDQBBNPISA-N 464.113 4.665 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408885055 ZUYHYBSFEGWMMZ-RVDMUPIBSA-N 492.831 4.921 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1 408978531 IYJKLKDBFHJAFJ-RUDKWAFVSA-N 484.896 4.836 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 408998165 ALFZGOUPKQSFBV-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2c(Cl)cccc2Cl)cc1 409059467 RJNFJBUFSQFWNV-VULFUBBASA-N 490.412 4.643 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1OC(=O)c1ccco1 409219140 NPNBIQZWSVYOKE-UHFFFAOYSA-N 497.507 4.832 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 409255758 ZNSKGLRROHJWOD-JWGURIENSA-N 487.531 4.508 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@@H](CN)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953075602 JPABGQWTUJHPME-PKTZIBPZSA-N 482.741 4.537 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@H](C)Oc2ccccc2C)ccc1OCc1ccccc1C#N 32114497 GGFKKPHZIOEXFG-MGMNCFQJSA-N 457.530 4.762 50 40 JJGB COc1ccc(-c2nc(C(=O)NNC(=O)c3sc4cc(F)ccc4c3Cl)cs2)cc1 32814905 FJJHAZOAHGJGKQ-UHFFFAOYSA-N 461.927 4.901 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)O 59336529 BIGQFXZDBQONAF-DHDCSXOGSA-N 461.301 4.740 50 40 JJGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(I)cc1 408588223 IKNSUCCGEKQCDM-BUVRLJJBSA-N 471.342 4.782 50 40 JJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 408750971 URTJUYRSSUUAOD-RHANQZHGSA-N 488.927 4.773 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 408797875 UDDYNZLCETWGPE-AWNIVKPZSA-N 494.139 4.529 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 408980911 UHHMYEWKDKWVJJ-QQNPRBCQSA-N 463.509 4.732 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC 409312548 MEAZCBGZLULSSY-MYYYXRDXSA-N 491.382 4.974 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc3ccccc3C)ccc21 6135652 OXGUMTNBBIWBRS-UXHLAJHPSA-N 469.545 4.582 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 10475801 RAJOHYDZRPKAEB-YDZHTSKRSA-N 472.295 4.709 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OCC)cc2)cc1OCC 12276145 ATIWIAXCERHTJQ-JIPXPUAJSA-N 494.613 4.916 50 40 JJGB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 31783227 COVMRBXYDQVYER-QPUUBURXSA-N 450.608 4.592 50 40 JJGB CC(C)COc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1Br 408600978 HZFOGJUEEIESRU-NKVSQWTQSA-N 470.161 4.716 50 40 JJGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408603715 GXGCDOOEHVZFHG-SFHVURJKSA-N 491.411 4.576 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 408608332 HENSDBPKIQWBPO-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 408956852 YUFKLOBACFTXMV-UCQKPKSFSA-N 466.541 4.628 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409028221 JMDFRSVDGNXIRB-OVVQPSECSA-N 499.036 4.532 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 409079781 LPZUPYPNNOIADG-UVHMKAGCSA-N 468.296 4.857 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2F)o1 409157765 NLRNBVAJHSXZFK-VATWTLTGSA-N 480.496 4.597 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409247035 AUWMQCUXWCMXTH-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1O 1091611 DVDAWOGDCQPDFI-BHGWPJFGSA-N 476.758 4.988 50 40 JJGB CCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 2679527 OYAVCCXDCJRCLV-JKSUJKDBSA-N 455.146 4.702 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 3089201 POQWQLVQKDCVOT-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(I)o1 9261648 WVYOBNBRHXDTFX-UXBLZVDNSA-N 457.065 4.501 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1OC 9972581 UTNSHCSEZYFPIG-XMHGGMMESA-N 489.503 4.796 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 12362695 IYQVPDMRIOLQMI-GJPMGDBYSA-N 492.357 4.557 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 12859291 UQSHNZUBLMSQQW-WZENAFAZSA-N 472.541 4.768 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 16269030 UITZCOABTOBVEG-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 16292531 VFUQLCPRKQUEMZ-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 19949493 UMXANLQAGDHKFE-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccc(F)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558683 ZRWYMGQHLUSORC-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 32576867 XNCDCUCBKDPUFW-VYYCAZPPSA-N 492.988 4.767 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 34707118 CXZHCUAOYVRWDQ-QRVIBDJDSA-N 454.280 4.700 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c(C)c1 58913299 JCRQBQGSZKZMSU-XODNFHPESA-N 456.468 4.819 50 40 JJGB Cc1ccc([PH](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 104189823 SXOHOSDBYORHML-UHFFFAOYSA-N 479.560 4.934 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 107828661 BZAYSOURWYYOTH-UXHLAJHPSA-N 489.547 4.803 50 40 JJGB Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 408737696 VFQKWWLOZUCNSQ-MFKUBSTISA-N 451.320 4.670 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408775329 GNHVHUHPEQTLQB-MFOYZWKCSA-N 488.338 4.767 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1C 408806904 CCRVUKRFXRWJMQ-JJIBRWJFSA-N 453.542 4.587 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccccc1Cl 409145683 PICBMJOOWZIRSA-DHRITJCHSA-N 469.881 4.695 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1 409221926 BQXITHDFOVQUPM-ZTXOKGAVSA-N 461.905 4.681 50 40 JJGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(I)cc1 409264912 HAGSSVVWOWVGDE-DHRITJCHSA-N 487.341 4.794 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(CSc2ccccn2)c1 1089453 MSPONVAJBOCYJI-JOCHJYFZSA-N 467.554 4.991 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccccc3OC)CSC2=C1C#N 2327341 DOSOYTJSPMWMFY-HNNXBMFYSA-N 486.391 4.686 50 40 JJGB N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2694723 GEMAAGOXTXQLQS-FQEVSTJZSA-N 462.556 4.690 50 40 JJGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 2709490 MFSOVKMOLQRQHI-ZMVPACEDSA-N 484.585 4.554 50 40 JJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC(C)=O 9075672 HZZOSFQCZDFUHM-PXNMLYILSA-N 451.460 4.725 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20558689 SCJRWCPGSDJFFM-XMMPIXPASA-N 485.565 4.530 50 40 JJGB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 104159456 KEPIXIJWOXQSST-VWLOTQADSA-N 460.426 4.973 50 40 JJGB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl 408605138 KRRKSIVLTNDVID-FQEVSTJZSA-N 465.966 4.762 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408787770 GALJHGFXGGRQNU-UDWIEESQSA-N 487.468 4.515 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409007885 RGUUXGMZQOGMGF-VULFUBBASA-N 496.361 4.548 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409025189 RGXRPLAWZKGLOU-MTDXEUNCSA-N 493.629 4.746 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)cc1Cl 409270283 ORCUWZXCRGQTJY-WOJGMQOQSA-N 461.905 4.917 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1 9884916 KDAQHLKLUCFVAI-BRJLIKDPSA-N 483.318 4.529 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1OCC 12276180 WNKCJUZDLQXZQV-FQRUVTKNSA-N 480.586 4.526 50 40 JJGB C/C(=N/OCC(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1ccccc1 16136688 PAPXHAIVXOMZIR-SUYYGPINSA-N 484.350 4.671 50 40 JJGB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 19830838 UKXASZBGQKSDQM-SIBVEZHUSA-N 458.514 4.514 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 33738293 RVTBPLDSLMXUSV-VYYCAZPPSA-N 489.919 4.534 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1Cl 408602298 CTAHMNUKZZBPQX-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1 408602605 DXAVKIWOAZJPAK-QFIPXVFZSA-N 473.573 4.777 50 40 JJGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408612959 XSTHVARYRXMXHP-JFLMPSFJSA-N 465.937 4.579 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1O 408742874 CIRZQMVCKFUURS-GHXNOFRVSA-N 466.129 4.862 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1Br 408754148 IRBIBIIENVXCDG-UFFVCSGVSA-N 470.161 4.691 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408781613 CUENCZHOIAKULA-RWPZCVJISA-N 489.519 4.668 50 40 JJGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)OCC 408856207 PQXIBXQGQXXNJQ-MXAYSNPKSA-N 485.334 4.630 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1 408897107 VSABOAMBDVAFOM-SAPNQHFASA-N 483.343 4.762 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 409013751 VBJRKPFPSDSENP-OGLMXYFKSA-N 453.498 4.630 50 40 JJGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc(Cl)cc1 409359349 BMXWYYVYQOSHNZ-YDZHTSKRSA-N 451.013 4.964 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccc1 1798249 LTQYHXKACBOTNI-MFKUBSTISA-N 492.402 4.939 50 40 JJGB CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2111206 OZQGMSXLFRKLSE-UHFFFAOYSA-N 484.581 4.640 50 40 JJGB aggregator O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1 2236335 AZWNBBOQCNVNNO-ZAHGHWQKSA-N 474.973 4.947 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 3192448 ZMWFMAQSJFWNRD-AFUMVMLFSA-N 491.400 4.624 50 40 JJGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Br)c1 9948572 ILSJJNAEUVBBEW-KSEXSDGBSA-N 472.295 4.763 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F 20348452 VPSWPQBDVVXZJV-HSZRJFAPSA-N 481.524 4.762 50 40 JJGB C=CCc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1O 32576913 XIQPFXDUELNRKF-QRQIAZFYSA-N 499.596 4.619 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OC 408757359 YXMWFEWJXWPVOY-KPKJPENVSA-N 466.129 4.774 50 40 JJGB Cc1c(/C=N/NC(=O)CSCc2cccc(Br)c2)c(Cl)nn1-c1ccccc1 408896368 YEABXOCJCHMGAK-FOKLQQMPSA-N 477.815 4.980 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OS(=O)(=O)c1ccccc1 408897485 XHJGPXDUIGYXDC-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)ccc1Cl 409314658 GRWYBMYUWPXQCO-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Cl)Nc1ccccc1F 409377340 GOAKYGAFRJLXEX-RPPGKUMJSA-N 460.292 4.914 50 40 JJGB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 1851260 MJWHVUVKASBTER-JFLMPSFJSA-N 497.540 4.566 50 40 JJGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2CC)NC(C)=C1C(=O)OC 20348654 JUSUERYMYXMFCY-VWLOTQADSA-N 491.613 4.889 50 40 JJGB C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 22532917 GEPGIFOXEGFGFR-XGAOGLQDSA-N 452.308 4.848 50 40 JJGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1cccc2ccccc12 32193983 FZZLTKRZBGZNOA-DHRITJCHSA-N 452.308 4.554 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)cc1 34719217 MANGITUABDFXIA-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 40137623 KUKDMSFFLRMBFD-QVTSOHHYSA-N 499.954 4.818 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58911949 UPRZNHHLRUVRON-WEPAEKJRSA-N 457.361 4.728 50 40 JJGB CN(C)P1(N(C)C)=NP(c2ccccc2)(c2ccccc2)=NP(N(C)C)(N(C)C)=N1 104361487 LJGXCBJNUUMLHZ-UHFFFAOYSA-N 465.463 4.906 50 40 JJGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676073 DOTVVHJXPBODNW-FYHAJLKWSA-N 474.399 4.999 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 408951053 KUHBPNJKJCAYFY-HMAPJEAMSA-N 496.523 4.930 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br)Nc1ccccc1Cl 409252039 BIALQKCSCXJJGU-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OCC 409318228 XUKROFKFADMQPI-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3O)n2-c2ccc(Cl)cc2)cc1 2326071 LWORBLBPYKVLTP-LGJNPRDNSA-N 493.976 4.550 50 40 JJGB Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)c1C 3036866 HEIZVZHYZZVVDH-VULFUBBASA-N 481.346 4.814 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2OC(F)F)c(C)n1CCC(C)C 3303206 QJBZQVJIUBQOFL-XDHOZWIPSA-N 459.493 4.841 50 40 JJGB C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 8574741 KAJDTCLXORDRMK-YZSQISJMSA-N 455.474 4.718 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OC 12275990 DYAFUJJYYCPSJP-UUOWRZLLSA-N 470.978 4.781 50 40 JJGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 15911064 GTOJCJMOXQVLSF-XIEYBQDHSA-N 469.585 4.996 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 59165242 ONCMRFYNAGCBON-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB COc1ccccc1Nc1nnc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)s1 102443643 MSFWJYYVXUNNTG-PDGQHHTCSA-N 453.574 4.904 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)c1 106114377 XPRGXDOHNBLZDV-MZJWZYIUSA-N 491.345 4.622 50 40 JJGB C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1O 408569596 OVIOLBVYADQTBV-ZVHZXABRSA-N 458.605 4.527 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 408612697 XAZCIHGNUYWSHO-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(=O)Nc1ccc(Br)cc1 408746111 XJKLAKWKJNJHNY-XFXZXTDPSA-N 454.236 4.869 50 40 JJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(I)c3)c2C)c1 408762961 MEHBKJFIRMFHQW-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)c1 408822175 LEHRZWIJGWOKIL-UCQKPKSFSA-N 457.530 4.503 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409025041 KOIYMSMKVNOXIV-NHFJDJAPSA-N 479.602 4.514 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 409204679 JIZGGIBVIOLGKH-ZBXXMNEPSA-N 491.592 4.949 50 40 JJGB CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2209485 YIYIPKVRYGAWFX-NJEMLTPYSA-N 467.594 4.992 50 40 JJGB CCOc1ccc([C@@H](c2ccccc2)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)=O)cc1 2332561 QXAFQYULZCEAIQ-GDLZYMKVSA-N 494.591 4.991 50 40 JJGB COc1cccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1OCC(=O)Nc1ccccc1 19824578 FDZZQOZNLSBQCR-UDWIEESQSA-N 477.524 4.721 50 40 JJGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 22089772 PEPBBSRIZAGWOI-HCBMXOAHSA-N 472.163 4.595 50 40 JJGB COc1ccc2c(c1)-c1c(ccc(OC)c1OC(=O)C(=O)c1ccccc1)C[C@H](Cl)N(C)CC2 31719936 RVUFIQLGIPPCBB-HSZRJFAPSA-N 479.960 4.754 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 59445052 WXIUZQVVJSFLLY-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 100913140 BRJWYXPVVLGCCQ-LGMDPLHJSA-N 493.570 4.893 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408612983 YBZJKUPESISFLP-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 408762746 MBTBRZGZQKJWHL-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 409323182 OPKMQVAUNFEFRZ-DICXZTSXSA-N 481.936 4.529 50 40 JJGB CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2cc(OC)ccc2Br)cc1 2080268 NSEJOVIUQLEUQQ-WTJYETQFSA-N 463.372 4.944 50 40 JJGB COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 2351774 KNEZKKZHURVPOH-QLYXXIJNSA-N 454.313 4.683 50 40 JJGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 3088232 HMJSZQYKECATKM-FCOGCSPRSA-N 490.991 4.813 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 19948008 DAQACKSQQCUIDF-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1Oc1ccc([N+](=O)[O-])cn1 107900690 AHHOLDBUDOOPIR-MZJWZYIUSA-N 472.457 4.716 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408724374 DMIJFCZIJTYHPG-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C(C)C)cc2)cc1 408776938 SVYVYXLZRVVLLD-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1 408970820 KTEBJJQIMFARIJ-MSXWIRNDSA-N 488.371 4.540 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 409033356 LBSCFLHLWUZTJA-JLHYYAGUSA-N 469.324 4.995 50 40 JJGB Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409058454 NGPSFXMBIMAYAZ-LGUSAWBASA-N 494.260 4.502 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1)S(C)(=O)=O 409112298 FRNJWPMNPKDFDQ-MTDXEUNCSA-N 487.581 4.579 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 409132647 LDWQMTQQNHTPOG-UXHLAJHPSA-N 497.620 4.977 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1 409228045 ZLBSFEXDMHXNJJ-WKIKZPBSSA-N 487.390 4.605 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccc(Cl)cc2)cc1 1240279 PZUXYLXZJDTKLB-JFLMPSFJSA-N 492.992 4.624 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 9242496 GEPXZSMTANBECZ-SFHVURJKSA-N 451.324 4.846 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1cccc(I)c1 14923340 RHVAARSMIOADPG-LSHDLFTRSA-N 490.128 4.733 50 40 JJGB N#CC1=C(N)OC2=C([C@H]1c1cccc(Cl)c1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558271 YTUWOEHAMSWCHZ-QFIPXVFZSA-N 475.957 4.866 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1 37020484 GUAIBIUENKTNRG-MYYYXRDXSA-N 453.336 4.730 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(C)cc1 107682732 AYXKTEKVYKNIHF-OCSSWDANSA-N 497.551 4.947 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541616 DOJHHCAYAMFUSS-OPEKNORGSA-N 496.317 4.516 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1Br 408738494 ZOIKJKXQLRNIDS-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 408795963 NUAAAOJKLBRNCM-CAPFRKAQSA-N 471.513 4.657 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 408798079 UQBXZVKXIVXQSX-PXLXIMEGSA-N 470.481 4.686 50 40 JJGB CCOc1cc(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1O 408903899 BAIMFUNRQBRRIV-UKWGHVSLSA-N 471.149 4.780 50 40 JJGB O=C(N/N=C/c1cc(Br)c(I)o1)c1cc2cc(Cl)ccc2o1 408950144 DPZSKVSJVMPXIL-NGYBGAFCSA-N 493.482 4.810 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2Cl)cc1 409065387 RSIBYHCSFGHZHC-VULFUBBASA-N 490.412 4.643 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccco1 409066965 IKWJPRXFGFLXPH-OGLMXYFKSA-N 470.481 4.850 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409230743 FZKXVWVADGHSFK-FDVSRXAVSA-N 497.954 4.897 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 3174636 PUHRXZRCZDOXSW-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COC(=O)N[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)P(=O)(c1ccccc1)c1ccccc1 3213863 HTSNWPSSFCJLSG-HNNXBMFYSA-N 489.299 4.854 50 40 JJGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 20060555 IKJZMJDXUVOKTJ-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1Oc1ccc([N+](=O)[O-])cn1 34888713 OPUIJXXXFXGSJW-BHGWPJFGSA-N 493.457 4.678 50 40 JJGB Cc1ccc(COc2cccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 59410834 CYVXUNFWOSJART-TWKHWXDSSA-N 450.538 4.960 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 408606895 MOCUUVNWTIASKY-FQEVSTJZSA-N 463.965 4.978 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408611679 ROWADKHASDLMPM-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Br 408762029 BZUNADMSJKPPDQ-MDWZMJQESA-N 464.113 4.683 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409309051 AMDFIVJQVRJUPG-MSOLQXFVSA-N 491.794 4.774 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C(C)C 409368090 RBQFMFLUMCLOAN-RCCKNPSSSA-N 461.562 4.756 50 40 JJGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)s2)cc1 1833383 PJGTWVUBLLWFFY-FOKLQQMPSA-N 453.618 4.863 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 2407557 VDLQAWYSMOZYTK-RCCKNPSSSA-N 471.538 4.750 50 40 JJGB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1Cl 3284070 ZXFHBUREDFGAEW-UHFFFAOYSA-N 472.906 4.849 50 40 JJGB CN(NC(=O)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1)c1ccnc2cc(Cl)ccc12 5733899 CSGFWVQUUMEHMU-HAHDFKILSA-N 472.932 4.532 50 40 JJGB CC1=C(C(=O)Nc2nccs2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347936 JEJNSAOXSBPGNR-NRFANRHFSA-N 491.598 4.751 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)c1ccccc1 28213878 HKTUPBIAVPFZSO-FLOSOGMCSA-N 482.005 4.839 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 28214243 NRYMGZIWBSJBIB-JEWIKEISSA-N 498.004 4.997 50 40 JJGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(Br)c1 32138933 QZEDXKWFKQIGNU-UUYOSTAYSA-N 485.250 4.822 50 40 JJGB CN(N/C(=C/C#N)NC(=O)Nc1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl 95921759 MRGVMMIIUPDEQN-LHHJGKSTSA-N 478.784 4.900 50 40 JJGB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103918325 MGEYDXKPSIQZMC-QOMWVZHYSA-N 482.584 4.925 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 107616421 SZVLPVIMNNWUBA-NVNXTCNLSA-N 470.323 4.649 50 40 JJGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(Br)cc1 409011421 NIHHYGLFNIFQOA-UFFVCSGVSA-N 470.161 4.659 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409225129 ORBCZHYAFVUNQF-KWFUXGMBSA-N 463.877 4.939 50 40 JJGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)CN1C(=O)CCl 1083103461 FROURAZTAXWESG-WINIVTDRSA-N 499.007 4.955 50 40 JJGB C/C(=N\NC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12)c1ccc(NC(=O)c2ccncc2)cc1 667588 BBQZLPXQDPEXSH-HNSNBQBZSA-N 489.539 4.506 50 40 JJGB COc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccc3c(c2)OCO3)cc1OC 1743657 WDBSXGYFCYFDON-SJORKVTESA-N 472.129 4.515 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(C(=O)O)cc1 2297338 ZEBCFVKKQHQNQU-WYMPLXKRSA-N 494.623 4.924 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(C)cc1 9313228 PFOXFLLKQRZQHP-NLRVBDNBSA-N 486.557 4.783 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 20352804 PTSIOGFSNMUGSD-FYJGNVAPSA-N 487.512 4.723 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1 28215522 WSRZLHDZHZNVFT-AFUMVMLFSA-N 466.335 4.539 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1OC 33592116 DZMCQZVPQVAZNB-WJDWOHSUSA-N 464.499 4.539 50 40 JJGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(I)c1 59473401 DAUUYIVFUHBVQT-DQAKUKQTSA-N 458.752 4.966 50 40 JJGB COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 83317850 YLWDZXOKXGQXPS-PSZYXBCASA-N 452.938 4.892 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)c(O)c1 98046004 VPALILIGDCYENV-UHFFFAOYSA-N 494.467 4.671 50 40 JJGB CCCCCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccccc2)c2ccccc21 103041302 PBDUOAKLZACHQF-KDJFERLWSA-N 471.557 4.702 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 408754552 RGJBVJGJXYYFQH-GZTJUZNOSA-N 487.350 4.969 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408856107 AVKAZXCNVHRVKE-CFRMEGHHSA-N 476.401 4.814 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1cccc(F)c1 408912152 MDHTULZENBQQFG-MZJWZYIUSA-N 456.901 4.986 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(F)c1 408915047 WRMAVVOZAWUMIL-RWPZCVJISA-N 450.510 4.949 50 40 JJGB O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1cccc(Br)c1 408950010 DBDNJUQXYUUHGX-SOFYXZRVSA-N 465.927 4.723 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 408966127 KBTHDCDFZSFLSF-XODNFHPESA-N 459.399 4.626 50 40 JJGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408972921 HQWLOVKISSHUJT-OEHLLJELSA-N 484.987 4.809 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCC(=O)O 408992861 UTUQUONIRUILQG-ZDLGFXPLSA-N 454.910 4.785 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409255507 LGTATBJOOIBZKD-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC 409330419 AIWSUOZACMPRBQ-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccc(Cl)cc2)cc1 1246947 TZADRIXIDMANEV-VULFUBBASA-N 462.966 4.534 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1764948 NBCLJYFAJAPICR-LSHDLFTRSA-N 493.035 4.513 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 3090272 FDISIZAJFRZUFV-LQKURTRISA-N 468.469 4.529 50 40 JJGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 8666554 PVOLBLVRNQMSJN-UXHLAJHPSA-N 492.963 4.687 50 40 JJGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 8753686 NQGWZTQHTCLURU-OVVQPSECSA-N 457.555 4.541 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(F)cc1 9614440 BRXHHEOQVLYFFK-RWPZCVJISA-N 464.493 4.590 50 40 JJGB CC/C(=N\NC(=O)CNc1c(Br)cc(C)cc1Br)c1ccccc1 14921200 HIVLCTGRXOGMJR-CJLVFECKSA-N 453.178 4.862 50 40 JJGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1cc(C)c(C)cc1Br 16267902 LWZQNAUSSRZPMB-UNOMPAQXSA-N 450.336 4.771 50 40 JJGB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 19830839 UKXASZBGQKSDQM-BCHFMIIMSA-N 458.514 4.514 50 40 JJGB O=C(N/N=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 32121726 RPXZBSGQROYQLF-JJFYIABZSA-N 495.498 4.733 50 40 JJGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408535284 YIDSXGQLXSPJLH-XODNFHPESA-N 472.423 4.755 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 408763513 PHMQYBCARHUKJO-DHRITJCHSA-N 465.918 4.943 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408906050 GWLIEQSFSCPDHO-YGYFLSRZSA-N 467.610 4.795 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 408985525 KVUZFNHNZYXKRO-XGICHPGQSA-N 450.676 4.873 50 40 JJGB N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408993533 VZKSQUNTLRIXTH-QGOAFFKASA-N 458.499 4.871 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409263737 BVOZYTJVHPJJQM-YKKQWCMESA-N 491.975 4.821 50 40 JJGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 1445487 ZRHLBRZUGFRVMW-XMMPIXPASA-N 457.534 4.746 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Br)s1 1798483 QLTJRLMIIUCALP-QGMBQPNBSA-N 485.479 4.897 50 40 JJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccccc1[N+](=O)[O-] 9308706 SBKDLJFVLWHYJM-JOCHJYFZSA-N 465.469 4.782 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c(OC)c1 9693355 LZABBNHUZUHGNI-GOSISDBHSA-N 455.967 4.885 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1OC 12463446 QJRCZABLTKSAOK-YVNNLAQVSA-N 495.051 4.743 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)cc1 16157518 NYDGFFHEXGWIID-ZVHZXABRSA-N 497.623 4.615 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc(Br)c1O 16688223 CAYQRXIBAJNFDP-XCVCLJGOSA-N 464.117 4.651 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccs3)nc3sc4c(c3c2=O)CCCC4)cc1 19861351 UKVACGNQCFFHEN-MXAYSNPKSA-N 494.667 4.938 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 408921395 HBPQBLKWWRJEGE-ZVHZXABRSA-N 470.422 4.597 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409253013 VOZHAMCXQDEBJK-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1Cl 409325756 APXDWNXZLNSJTP-ZDUSSCGKSA-N 462.358 4.713 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)c1 409391252 IIRDIHKCDDEMCG-MUFRIFMGSA-N 454.530 4.596 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2419781 KCSCEAXFCJWQSW-JQIJEIRASA-N 472.888 4.694 50 40 JJGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3cc(OC)ccc3c2)cc1 3088841 DRCYQNBIBVRTKB-NVWORFHCSA-N 479.536 4.778 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1OC(=O)c1ccc(F)cc1 9606381 DYTHHIDONGMSFT-QGOAFFKASA-N 482.475 4.628 50 40 JJGB CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC(C)C)cc4)CC(=O)N32)cc1 12275480 AGDSSCLYPTXOQF-SQJMNOBHSA-N 450.560 4.516 50 40 JJGB CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1 15081961 MSMMNYASRJRXHP-HXUWFJFHSA-N 468.446 4.916 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)cc2)cc1 20232275 AFZBYKMDJSLYGD-UHFFFAOYSA-N 459.637 4.739 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 20232683 MZYKNFAZNWAPQI-RDRPBHBLSA-N 483.593 4.669 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 408528344 HJCGUMWVNKADLW-KVSWJAHQSA-N 489.454 4.592 50 40 JJGB O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccc(N2CCCC2)cc1 408677010 OKQOYPXSPMZXIT-OGLMXYFKSA-N 467.529 4.962 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 408858784 PNFHMIVPDJXASM-ZTKZIYFRSA-N 499.592 4.611 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 1255568 WULFGTQCNKSJBD-CVKSISIWSA-N 481.622 4.522 50 40 JJGB N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1c(F)c(F)c(F)c(F)c1F 2091310 UIJNLCVXQWAKHP-HNNXBMFYSA-N 456.374 4.559 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3232326 LRALKWAUBZOFGS-FOWTUZBSSA-N 488.412 4.628 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 8686451 NBDDYRAPYFDZEI-RWPZCVJISA-N 491.613 4.713 50 40 JJGB C=CCc1ccccc1OCCOc1c(Cl)cc(/C=N/NC(=O)c2ccncc2)cc1OC 8861507 UUOHAMGPSFEFHI-OGLMXYFKSA-N 465.937 4.694 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 9261850 DJTPGIPUNVHYPA-RDRPBHBLSA-N 482.540 4.697 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 9272170 SEPGEOJKCKUGQM-HAHDFKILSA-N 486.644 4.697 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1CC(C)C 14092848 VJIASPVXVONJRT-VXLYETTFSA-N 464.591 4.662 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 15018668 RUIIRBMOYXEFIY-RWPZCVJISA-N 480.480 4.782 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 15223218 SDMPKDLCUHYTEK-UYRXBGFRSA-N 459.458 4.824 50 40 JJGB O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)[C@H]1COc2ccccc2O1 36093521 FEYSOYMUINDXON-OTCMYZNHSA-N 481.306 4.860 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cccc([N+](=O)[O-])c1 107905689 MRAICLGXYCACHY-FSJBWODESA-N 463.475 4.889 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 408799263 GZOMAMSISUJCCL-QGOAFFKASA-N 461.905 4.912 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Br 408806903 NOKTYSAREMDZRX-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1c[nH]c2ccccc12 408846286 IFORRYCTJVWQSD-PGGKNCGUSA-N 476.345 4.679 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C 409008851 MTSCPAGYWDLNEJ-UXHLAJHPSA-N 481.552 4.867 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(F)cc1 409259604 BHAZYCKPZSFULH-OEHLLJELSA-N 489.547 4.533 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)c3ccccc32)o1 409389505 BQWXQELHDRJWEY-UVHMKAGCSA-N 471.469 4.588 50 40 JJGB N[C@H](CSSC[C@@H](N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 1736049 REEVAJUPLLWYBH-DNQXCXABSA-N 490.654 4.606 50 40 JJGB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5[C@H](OC(=O)[C@@H]53)[C@@H]4Br)cc2)c1 9581296 SGTHSTZLBWKEHP-FITZOCOBSA-N 456.336 4.605 50 40 JJGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 13045370 TWKUBKOQNMNEFU-QFIPXVFZSA-N 451.548 4.691 50 40 JJGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c2ccccc21 13567691 WNBRTSYIISJEAT-HHHXNRCGSA-N 470.960 4.640 50 40 JJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c1C 58913121 BJFUEBPUJIRYOW-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1F 59922145 LWKSVIKGSHMXLU-DHRITJCHSA-N 457.299 4.940 50 40 JJGB O=C(N/N=C\c1ccc(I)o1)c1cc(-c2ccccc2)nc2ccccc12 83317217 PWBSPDCKRGWQAD-QRVIBDJDSA-N 467.266 4.863 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408544442 WBZFYQRKFIJKPP-UXHLAJHPSA-N 489.547 4.803 50 40 JJGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408569458 NVNZFJIPWDCIMN-PCLIKHOPSA-N 466.632 4.551 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4)c(OCC)c3)CC2=O)cc1 408604431 IUGIMXLYGCFABI-NRFANRHFSA-N 489.572 4.559 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408608172 GPSKSDYXRZJIOE-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB O=C(O)c1cc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)ccc1Cl 408747576 PUDCVZINHBIZLP-LQKURTRISA-N 474.900 4.684 50 40 JJGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Br 408751969 AVLFCDBLXRDXJZ-VGOFMYFVSA-N 478.140 4.991 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCC 408785924 JWHACRVWOPOVQS-WJDWOHSUSA-N 458.356 4.858 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408839596 AVODPQGJEHFIBO-GDNBJRDFSA-N 497.338 4.695 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 408885840 BQOCAHXLCXUKEW-GHRIWEEISA-N 483.343 4.762 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409148990 VNNDQPBFXUNVTP-TURZUDJPSA-N 492.645 4.571 50 40 JJGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409219335 LIMOZPHKYJORRJ-LFQXSKOKSA-N 494.847 4.539 50 40 JJGB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccc(C)o3)n2-c2ccccc2)cc1 695241 DXRHPFHUWYXPMF-TUCSVVMZSA-N 474.590 4.720 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c2ccccc12 9259280 VTTKLQDAGCNMGF-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COc3ccc(OC)cc3)ccc21 9355110 ZGLZWUVDEYZGTR-RDRPBHBLSA-N 472.545 4.723 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 9972818 VZBCCKXCGAXEKX-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1F 15230894 VDUMIDDWBWNYBV-PGMHBOJBSA-N 476.552 4.917 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58913787 MOEDMTZPFVCQDG-CCVNUDIWSA-N 472.467 4.600 50 40 JJGB NC(=O)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618234 ZQIDVBDBJIFETC-UHFFFAOYSA-O 465.538 4.528 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 108109798 ZJWQBXKMNPZBJX-LSHDLFTRSA-N 478.140 4.843 50 40 JJGB COC(=O)COc1cc(Br)c(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408542301 IGJNDJFTJYNSSY-VIZOYTHASA-N 470.323 4.567 50 40 JJGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)c(Br)c1O 408542586 MJRYBDIEPFJJGG-SDQBBNPISA-N 453.086 4.688 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408616606 ZPHMWBXXAUFQEV-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccccc1 408870076 UUFZJCOUVBLUIK-OEAKJJBVSA-N 472.541 4.905 50 40 JJGB CCOc1cc(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1O 408939304 IJKAIIUQWNNIPQ-NKVSQWTQSA-N 482.128 4.826 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409238211 MCGZWGBANCDSSQ-UYRXBGFRSA-N 455.352 4.678 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1 409241707 TWVHXYLCSLKHPI-ZMFRSBBQSA-N 459.290 4.999 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 8454624 BNIQEJSPICHOBC-JOCHJYFZSA-N 499.361 4.681 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 8952329 RAOBRAUBQPOGSA-KGENOOAVSA-N 455.514 4.875 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)COc1ccc(C)cc1Br 15134629 FOZKUDZKAPIMOF-WYMPLXKRSA-N 487.181 4.964 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 58884724 DAECWJJHQFTLKZ-OVVQPSECSA-N 461.518 4.755 50 40 JJGB Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 59503036 RRXIXUIKOQEXOK-GDQCRLHRSA-N 454.983 4.957 50 40 JJGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408542078 GNHFSCWIXUSIJD-VGOFMYFVSA-N 462.325 4.528 50 40 JJGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N2C(=N1)SC(C#N)=C2N 408608876 XFRGBMQUSBSYEX-IBGZPJMESA-N 454.939 4.936 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccccc1 408611878 XGAQPOFKNBWRGO-QFIPXVFZSA-N 473.573 4.723 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 408612992 YEHXXSPBCLQVAE-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408725165 JQQGZPSNHMHSBF-DHDCSXOGSA-N 462.287 4.553 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c(Br)c1 408883277 UQNGOQLMTOIFQE-XYOKQWHBSA-N 465.101 4.974 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)n1 409237622 KEBIGISPZRSPFC-WYMPLXKRSA-N 485.407 4.677 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1 409247962 IYEMTXYMIHNUPB-ZMFRSBBQSA-N 459.290 4.999 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)c1 409254234 HXIBTMBILATHGC-WGARJPEWSA-N 496.361 4.548 50 40 JJGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1 409257334 ODHSACHBEZZQNF-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)ccc1OC 409328090 YWBUHMOUEINDHB-WGARJPEWSA-N 483.908 4.998 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccccc1 409357060 IKVARKVPKPAMHE-JFLMPSFJSA-N 482.378 4.989 50 40 JJGB CC(C)(C)OC(=O)N[C@H]1CC[C@](O)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 2362797582 LXDCVZLBBOXCET-HLTNAHAZSA-N 483.725 4.761 50 40 JJGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1OC 2364770 OTPRYPGIROLHTI-INIZCTEOSA-N 471.966 4.585 50 40 JJGB CCOc1c(Br)cc(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC 9508785 BFYMHHRIUMFIDS-UHFFFAOYSA-N 497.389 4.840 50 40 JJGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 13896593 NCGAMPGQVLWHIB-BHGWPJFGSA-N 471.307 4.553 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 16693254 ZILJLDOYZXVUAK-QJOMJCCJSA-N 470.573 4.875 50 40 JJGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 58872802 DBZWAJPFWVOVMS-KKMKTNMSSA-N 496.354 4.731 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 408784444 SPRJCMPWANEREO-WEMUOSSPSA-N 477.630 4.932 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408788609 DWBKQIDHBJZYGT-RCCKNPSSSA-N 493.485 4.989 50 40 JJGB O=C(C(Br)Br)[C@H](Br)[C@H](Br)c1ccccc1 1675764 UUUQKIQSKJSFCW-HTQZYQBOSA-N 463.789 4.571 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3024190 ZMTOKALIRVHXHX-BRJLIKDPSA-N 488.283 4.650 50 40 JJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 3765533 STYNODQJVHOSEN-OPEKNORGSA-N 486.435 4.687 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccco3)nnc2-c2ccc(C)cc2)cc1 12463290 HJUDQPVKPSRLOT-XFNBXCMGSA-N 473.558 4.752 50 40 JJGB C[C@@H]1CC2(CCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(F)cc1c32 14162291 FWHIXZQSFLIYNI-LOKFHWFJSA-N 461.537 4.597 50 40 JJGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 16789683 XQCJWANLSWUSGR-CCVNUDIWSA-N 487.976 4.706 50 40 JJGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28213706 QREBUAICJMKWQN-VULFUBBASA-N 467.978 4.741 50 40 JJGB COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OC 28217677 NJPHHZMKZZSWSV-ZVBGSRNCSA-N 457.777 4.503 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 108983526 JEOAXSFTGOVUDV-OYKKKHCWSA-N 451.504 4.836 50 40 JJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408950384 JOPRSLRFPAWDMG-YVLHZVERSA-N 468.351 4.604 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 409222155 AHQJIYZKYARUKJ-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)cc1 12420520 CDZRIMKGDBHFRP-HXUWFJFHSA-N 483.597 4.519 50 40 JJGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccccc1 15930401 OMQAVHNDFJYOMB-GNYKCMPYSA-N 469.014 4.751 50 40 JJGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1 19949490 ZVFVNQYPCAMMOP-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB N#C/C(=C/c1ccccc1I)C(=O)Nc1ccc(Br)cc1 408550227 DZEXUQZYBWFQRM-XFXZXTDPSA-N 453.077 4.599 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408613421 ZQODRVZTQNFQDX-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408829807 QKECEPBRTCWLRY-TURZUDJPSA-N 493.629 4.828 50 40 JJGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2)cc1 409217063 RDRJOVNKWULUBR-HAHDFKILSA-N 467.525 4.953 50 40 JJGB COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl 706841 VTQIJCYMMUTSFY-PGGKNCGUSA-N 465.362 4.692 50 40 JJGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 938688 LSEIHLPIOWFQJJ-MXHDTTNDSA-N 499.519 4.982 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccc(C)cc2)cc1 1247848 BRMLYNJUJXMESG-AFUMVMLFSA-N 477.615 4.864 50 40 JJGB Cc1cc(NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)ccc1I 8742356 ULWGWZDBHDCJNK-AFUMVMLFSA-N 485.325 4.954 50 40 JJGB O=C(NN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)c1cccc(Br)c1 12312248 KDPGWTFYRBXELO-MOSHPQCFSA-N 496.748 4.565 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@H]1c1ccco1 20065849 NVPWBYPDIHUGGC-NRFANRHFSA-N 492.582 4.686 50 40 JJGB O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)Nc1ccc(F)cc1 408612681 WVMKEBDBXJVSQV-LUOAPIJWSA-N 478.282 4.939 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)NCc1ccccc1 408755137 MPPPYAWEAQYOTD-XMHGGMMESA-N 461.315 4.892 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccccc2F)C2=C1CCCC2=O 409130186 INXLGBIDXWUUEW-JOCHJYFZSA-N 482.353 4.897 50 40 JJGB Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3cccc(F)c3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 1052120 PQILCDDKINOWFP-QFIPXVFZSA-N 492.576 4.823 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 8984003 GRORKIZGMZGUTO-LGJNPRDNSA-N 473.312 4.750 50 40 JJGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1 20233446 CBLSVBWNTYGACZ-LGJNPRDNSA-N 494.375 4.863 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1 33665523 YDUGQEDWGAIMFE-DHRITJCHSA-N 476.514 4.768 50 40 JJGB CN(C)/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618634 KFAFRLYCTNPHJI-NFFVHWSESA-O 451.530 4.771 50 40 JJGB NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c2ccccc12 226766694 CLAYJTAOZYELGA-UHFFFAOYSA-N 458.699 4.609 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408566609 AQSKAUDIZQLLCZ-AUWJEWJLSA-N 488.313 4.869 50 40 JJGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409040290 GEXKWKCJPYGTLG-OPEKNORGSA-N 487.767 4.838 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1OC 409317252 TTZDRONFGVJUMO-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)cc12 1309965 DNMPEASUYJIECF-AUEPDCJTSA-N 483.347 4.651 50 40 JJGB C[C@@H](Br)[C@H](OC(=O)C(Cl)(Cl)Cl)c1cc2c(cc1Br)OCO2 1628442 DQMHUKQSZLJGFC-FWOIEVBISA-N 483.367 4.916 50 40 JJGB Cc1cccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c1 2237158 DWCSOAGQXUOYIX-JFLMPSFJSA-N 488.638 4.877 50 40 JJGB O=C(NNC(=S)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccs1 2805806 VALUSSNNTBHCEJ-UHFFFAOYSA-N 466.975 4.566 50 40 JJGB Cc1cccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)c1 12462754 LPSCPHKXMMCPBZ-FQEVSTJZSA-N 467.598 4.819 50 40 JJGB N#C/C(=C\c1ccc(OCCOc2ccccc2)c(Br)c1)C(=O)NCc1ccco1 13894904 RNIRHLANMHFMJF-QGOAFFKASA-N 467.319 4.723 50 40 JJGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C\c2ccco2)c(C)c1 30832271 KXAPWLCHJOHJDV-JBCAZGMTSA-N 497.345 4.807 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38658520 WECAYIWSBIWMGU-AREMUKBSSA-N 486.524 4.928 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58911960 STKZLXVQTBAQNQ-PBEVGHANSA-N 457.361 4.728 50 40 JJGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 67192582 MDBKWKVWCJVLAW-LSFURLLWSA-N 479.232 4.599 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl 408587071 DVDUALPZHRQDLP-NSKAYECMSA-N 459.333 4.692 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408604956 JHMLKRSNPPZWHC-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408742710 SGPBWKLTMVYJJN-MHWRWJLKSA-N 457.324 4.967 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(C)c1 408747397 NGTRCZIDUQYCTD-AJBULDERSA-N 480.564 4.969 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(F)cc1 408895580 LJJNNSVOFOEHQT-LGJNPRDNSA-N 465.506 4.797 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c(C)c1 408910488 WUMQCOGANGDMTQ-MUFRIFMGSA-N 490.556 4.793 50 40 JJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 408950397 JTZDYPVGMGARSZ-JCMHNJIXSA-N 466.541 4.628 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1 408964524 HNPDJLFLKMRLPU-VULFUBBASA-N 474.473 4.689 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1)c1ccccc1 408980017 PNRWTEZCWGXFMY-BULNNFJJSA-N 489.572 4.910 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409312005 JDOFKGKIBUXNHI-YUMHPJSZSA-N 493.357 4.813 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 1830201 CEGQRFOCWSMPJC-MFKUBSTISA-N 471.030 4.707 50 40 JJGB CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C\c2ccc(Cl)cc2)sc2c1CCCC2 33698620 IZEIFTLRVDORFJ-PTNGSMBKSA-N 472.950 4.546 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1Cl 58913162 CJSKWDALRPSICE-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1 59410806 CUEHFZPYVGDYCH-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)cc1 59503448 WSWOHEXNABYMGA-AFUMVMLFSA-N 477.567 4.767 50 40 JJGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OCC)c1 108542172 SNHAENFVSLVGCJ-SXGWCWSVSA-N 475.295 4.805 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C 408692705 SLTAGDDXMBIJRV-CCVNUDIWSA-N 466.969 4.875 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 408771231 DSGPNDFJVWQBSV-CVKSISIWSA-N 490.412 4.901 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(=O)(=O)c1ccccc1 408841581 LOMOHWYIIDGAGA-MTDXEUNCSA-N 493.629 4.629 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409020728 SNCWMWKISNAZPY-MBTHVWNTSA-N 495.963 4.594 50 40 JJGB C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1cccc(NC(=O)C(F)(F)F)c1 8398134 FGKLNCFMDCBLIU-VYYCAZPPSA-N 455.864 4.849 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)ccc1OCc1ccc(C)cc1 9015446 UUZXDRYSLXAPAX-STBIYBPSSA-N 483.572 4.803 50 40 JJGB CN(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 16187078 PGOBMHDUCUUCLA-AFUMVMLFSA-N 492.384 4.557 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 16701061 LCHYOFWSVYNXNZ-JYACYGOOSA-N 470.573 4.839 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 19901139 BAEOGMVGXCPDGK-XMMPIXPASA-N 494.016 4.815 50 40 JJGB CCOc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 59472811 MHNXMMMNCZSEAT-UHFFFAOYSA-N 485.650 4.989 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408782718 YPCSHZHELMRMCX-NHFJDJAPSA-N 479.602 4.554 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408888238 UGYBOLNQSSSYDG-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409119228 RVGNVYHCUQTXNZ-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl 409132014 KKSSNUZPXWPQOS-DHRITJCHSA-N 493.416 4.561 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409268928 ZTYXZZZGXPNZQM-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)sc2c1CCCCC2 714761 VUNVOXCDNIHULH-OAQYLSRUSA-N 474.586 4.503 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1 3033302 REOSXWSQAMYYNS-VYAWVAGBSA-N 459.285 4.734 50 40 JJGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 8836443 RTTMVNGUVSSQBK-SFHVURJKSA-N 453.365 4.991 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OCc1ccccc1 14134777 VBIOUPBLAUICHI-YDZHTSKRSA-N 490.297 4.626 50 40 JJGB N#C/C(=C\N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1nc2ccccc2s1 16958478 TWGMZRJSYHTIJB-NMCPTZMASA-N 450.526 4.970 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccccc3Cl)CC2=O)cc1 408602619 DZLMEKYISGGLBR-FQEVSTJZSA-N 493.991 4.986 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408607844 FFNHPYUCFBSQAI-XODNFHPESA-N 490.774 4.992 50 40 JJGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408898450 LKPKUWUYQIICNW-GHRIWEEISA-N 497.916 4.870 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(Br)cc1 409035676 PYNTUPXZSWONKL-DQKQXWASSA-N 491.341 4.542 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 409047396 OMPPECGZZMNGEK-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)c(F)c3)oc12 409107641 XDNNGWNVHUWHAO-WYMPLXKRSA-N 460.303 4.707 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccn(Cc2ccc(Br)cc2)n1 1092111 ZKHWEMQUKZYUCV-LSHDLFTRSA-N 452.139 4.765 50 40 JJGB COc1ccccc1[C@@](O)(C(=O)NN(C(=O)c1ccccc1)c1ccccc1C)c1cccs1 1288473 CSVJSSGKZFRFMC-MHZLTWQESA-N 472.566 4.679 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 3204977 OVMHMNZVFWGMAB-YDZHTSKRSA-N 492.782 4.667 50 40 JJGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1cccc2ccccc12 4454589 HRTVHALJQGMNAL-PKAZHMFMSA-N 484.021 4.967 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(Br)c1O 9540482 QNHZPURUDHRCAN-HAAVITCDSA-N 472.364 4.650 50 40 JJGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 408527179 FIIRBHWINNVIFI-XODNFHPESA-N 472.423 4.755 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408612672 WRHIWAIGJQEDEX-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408748010 XAJDOEWDTJRAFE-UVTDQMKNSA-N 460.125 4.769 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409043409 QQMQJWCQEGCFON-CIAFOILYSA-N 489.959 4.898 50 40 JJGB COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cccs1 682786 JNKRBMCBJPAUPB-AFUMVMLFSA-N 461.499 4.703 50 40 JJGB COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4s3)c2)cc1 2078197 AUQRWFFGGVUUAG-AFUMVMLFSA-N 477.567 4.767 50 40 JJGB Cc1ccc(C)c(NC(=S)NNC(=O)c2cccc(COc3ccc(C)cc3[N+](=O)[O-])c2)c1 2795511 SCFFJJVKCOYMSA-UHFFFAOYSA-N 464.547 4.730 50 40 JJGB Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3cccs3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 8965442 BHXMOTNEFAUELG-FQEVSTJZSA-N 480.615 4.746 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)c(OC)c3)[nH]n2)cc1 13618854 KETBAAVMZQXLGY-MUFRIFMGSA-N 498.539 4.523 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 58913036 ZUYNKISRNCNXKP-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417179 DWLZSNUJPVWKLJ-PPDIBHTLSA-N 474.395 4.964 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 108950384 WVRYYURQRRZNHQ-XMHGGMMESA-N 489.503 4.796 50 40 JJGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 408810411 JRRMKFFBACMVKK-RDRPBHBLSA-N 453.542 4.795 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 408853537 PEXQNXMLDCTNSL-BKUYFWCQSA-N 472.497 4.917 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 408863328 RHGQQQIUQTYUGQ-FSJBWODESA-N 482.414 4.709 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969492 OOFBQXVBMTUYKV-NRKANSFZSA-N 498.410 4.947 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 409185825 QVKAKVBAZKAOGX-OGLMXYFKSA-N 493.629 4.684 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409192845 FYFBIPCOPLMGDI-KKMKTNMSSA-N 490.318 4.923 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 409208889 CYRSYYFFQTVEFV-LGJNPRDNSA-N 484.961 4.868 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(OC)c1 639283 GCJCZYBLIFFGNT-QFIPXVFZSA-N 499.361 4.681 50 40 JJGB CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OCc1ccccc1Cl 1297181 KWRAWRSXEKTXRN-OAQYLSRUSA-N 464.905 4.798 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 2229348 PGYAEXTVUPOBKU-JFLMPSFJSA-N 488.638 4.877 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCC(=O)O 9311323 HTUZDYAOJODJHB-CAOOACKPSA-N 481.302 4.620 50 40 JJGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(Br)cc2)cc1 9483423 MNSXBQVWHVAGEU-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1 9693476 GPGGLQUSYDDZKE-KRWDZBQOSA-N 486.391 4.686 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OCC 12276110 HTKMVBBZLRJWFW-FNZWTVRRSA-N 464.587 4.826 50 40 JJGB CCCN(CCC)c1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 14920874 TYHZNLFHSTYBDQ-NJZRLIGZSA-N 470.617 4.711 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 15223737 WXUUZEWFYGJUDB-ZVBGSRNCSA-N 493.128 4.769 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 16412075 UKPNPGMYOMOGFI-QGOAFFKASA-N 482.945 4.970 50 40 JJGB CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 19852595 HIHVRGDSMSSIEU-FCHUYYIVSA-N 457.578 4.645 50 40 JJGB C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 33696251 JBOIJJRNOPFOIK-CVKSISIWSA-N 481.346 4.786 50 40 JJGB C/C(N)=C(\C#N)C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 104799469 YKYCPNBPFKFJDP-ICFOKQHNSA-N 492.655 4.646 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 408725680 IPDUDAIPUZCOIS-XODNFHPESA-N 481.936 4.609 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 408742000 OUTPSTCOCUDCPR-DHRITJCHSA-N 469.494 4.564 50 40 JJGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC 408774356 ZOULFZAZVIVKBR-WJDWOHSUSA-N 458.356 4.858 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C)c(C)c2)cc1 408783359 OCULOXYIBPCNSB-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408796998 QDFJJTGBUGYTND-WUXMJOGZSA-N 484.133 4.853 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408869514 RXSAZIMVXNYQBX-WGOQTCKBSA-N 481.643 4.679 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br 408888733 ZTUWSBAPPXPUCJ-LFYBBSHMSA-N 495.127 4.983 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1C#N 409247096 BTDHWXGWRKDQOR-MUXKCCDJSA-N 496.336 4.740 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC 409313619 CXUJSRZFNGEETI-QQXSKIMKSA-N 461.474 4.511 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409319923 NQDWJGHANDMKAW-MRXNPFEDSA-N 455.967 4.622 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 9008498 JEACNMVLADDHPJ-HZHRSRAPSA-N 488.660 4.789 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1C#N 9204682 PTINLDGGDDFIDI-LQKURTRISA-N 492.373 4.991 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(OC)c3)nnc2-c2ccccc2)cc1 9477874 AKMCPGISMQLRCC-OVVQPSECSA-N 487.585 4.584 50 40 JJGB O=C(O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 17527794 XPTLDXHMFLLDOX-QPLCGJKRSA-N 467.461 4.884 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1F 30742996 DLDCVYOHCSXMTK-NKVSQWTQSA-N 452.989 4.865 50 40 JJGB CCc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nnc2-c2ccncc2)cc1 38199964 ICYMLXZRCQBQGI-UHFFFAOYSA-N 479.569 4.826 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 107570682 YLCUIEOTJBBAJS-AFUMVMLFSA-N 469.335 4.948 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 409258254 SFWGKJNIBGXLMM-CPNJWEJPSA-N 459.477 4.706 50 40 JJGB O=C(CSc1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1)Nc1ccccc1 1424075 GJIZCTBWTOXKIV-WSDLNYQXSA-N 458.337 4.537 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1c(C)cccc1C 13940140 KRWMDOBZIGIFNM-PXLXIMEGSA-N 460.530 4.976 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 20787158 RDFOSAATQFNPCD-KFVRLDSISA-N 461.345 4.783 50 40 JJGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc(Cl)cc1 30952404 BRSAEWODIDFHSZ-VYYCAZPPSA-N 466.921 4.714 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 32576864 XCOQYWGXHUBRTM-ZMFRSBBQSA-N 480.977 4.695 50 40 JJGB C=CCc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(OCC)c1O 59679449 ABUMTPGZKGTFRQ-LSHDLFTRSA-N 498.171 4.514 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCC(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408605582 MIJGWYAYDKNCFH-QFIPXVFZSA-N 459.575 4.745 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408606761 AUEVJYHRDQFABQ-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408613410 ZOSVWLWPZAIIFS-LQKURTRISA-N 493.947 4.581 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 408888525 WQWJEYACRFTALZ-SFQUDFHCSA-N 497.916 4.870 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408947465 QAFOBUKECOFDTN-GATIEOLUSA-N 460.317 4.628 50 40 JJGB Cc1nnc(Sc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])s1 408989554 IDOUTWVFMYFPPO-ODCIPOBUSA-N 498.373 4.742 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc(Br)cc1 409378774 RPLJWVYFITUNQS-VULFUBBASA-N 468.351 4.599 50 40 JJGB Cc1ccc(-c2[nH]nc3c2[C@]2(C(=O)N(Cc4ccc(Cl)cc4)c4ccccc42)C(C#N)=C(N)O3)cc1 664640 QRZFRLKQSLSATI-MUUNZHRXSA-N 493.954 4.958 50 40 JJGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 1025058 DCYOBSSXIAHXMC-VKJFTORMSA-N 458.914 4.936 50 40 JJGB CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)c3ccoc3C)=C2N2CCOCC2)cc1 3177617 VKBWPQLSODTUSS-OSERCYOMSA-N 462.594 4.614 50 40 JJGB C#CCCc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 22741440 LSAKBUOZKFSIOM-BHGWPJFGSA-N 484.177 4.859 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC#N)c3)o2)cc1 33415495 WSJLAMOOHIXAGV-RHANQZHGSA-N 468.513 4.932 50 40 JJGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408610563 OETRYRSBXHPRKL-ZCUUTASWSA-N 456.757 4.591 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)cc2)cc1 408757943 DWPPEPXJVCRHFA-CAPFRKAQSA-N 471.513 4.657 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)cc2)cc1 408814439 RJKGRSKMJKNXBI-HYARGMPZSA-N 456.498 4.915 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 408838685 HCLIUQXUSFROCQ-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCC(=O)Nc2cccc(C)c2)cc1 409050509 WPZKGGSAYMKDPP-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB CC(C)[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409174729 OILPBNJWIBDTFS-DAVRIHBFSA-N 488.632 4.771 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 409226432 NUUZZVLWUQUKSL-UNOMPAQXSA-N 493.361 4.538 50 40 JJGB C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(Cl)cc1 2097649 DCNVGHQCQGTBCC-OXVLKEGXSA-N 469.014 4.669 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 2176062 DLGIGAZJRBDUQV-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccccc3OC)CSC2=C1C#N 2327343 DOSOYTJSPMWMFY-OAHLLOKOSA-N 486.391 4.686 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1 3168844 NHBGGDWMUFBXIQ-MFKUBSTISA-N 454.368 4.978 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 105053919 CTPHJGCSHYMJIM-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1 408529130 IISAQYBDZJMTDT-DHRITJCHSA-N 486.357 4.569 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c(C(=O)OCC)c1C 408546472 JXRMHCMZIJNJSK-SFQUDFHCSA-N 455.532 4.527 50 40 JJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br 408813948 GEAQWEFLUDLFKU-NVNXTCNLSA-N 494.183 4.842 50 40 JJGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408824843 AHNSNSHORJEZRJ-UVTDQMKNSA-N 476.341 4.611 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 408892447 ZJTDVBXIEGUFPC-CVKSISIWSA-N 452.894 4.730 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 408962698 JHYHXKMOJFCUOF-CCVNUDIWSA-N 455.436 4.795 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409007145 TVPVKOHVIZVHSW-WYMPLXKRSA-N 483.193 4.758 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3cccc(Cl)c3)c2)cc1C 409015432 SAEADUGLXXLTHH-VYYCAZPPSA-N 465.937 4.503 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409247386 BWWJTNSIZFZDAA-DICXZTSXSA-N 481.936 4.529 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 409311674 HCVPLFTYBYYFOE-MYYYXRDXSA-N 492.444 4.633 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c3ccccc32)o1 409393881 SVYHDALBQWGQQH-ATVHPVEESA-N 455.470 4.623 50 40 JJGB C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(Cl)cc1 2097644 DCNVGHQCQGTBCC-HSOLMKNUSA-N 469.014 4.669 50 40 JJGB CCCC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])c1 3099295 DDJXHDXWMAMREK-WGOQTCKBSA-N 460.490 4.676 50 40 JJGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc2ccccc12 3242703 LQQOJWOTXKASEB-VCHYOVAHSA-N 498.320 4.814 50 40 JJGB CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC)c1ccc(O)cc1 9380067 GFDMTQQTKMOLRH-YYADALCUSA-N 465.623 4.991 50 40 JJGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)COc1ccc(C)cc1Br 9553979 LWYPLMQXAGMGGH-KOEQRZSOSA-N 460.372 4.582 50 40 JJGB O=P(Nc1ccccn1)(c1ccc(Br)cc1)c1ccc(Br)cc1 17595922 RCJPJXXLZLDCKI-UHFFFAOYSA-N 452.086 4.948 50 40 JJGB Nc1ncnc2[nH]c(-c3ccc(C[PH](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc12 72283139 NOONORHLAFLQSJ-UHFFFAOYSA-N 487.547 4.829 50 40 JJGB in-vitro Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c2C)cc1 408671115 SUSPZZQYBJHUSX-UHFFFAOYSA-N 487.943 4.790 50 40 JJGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(I)c1 408761478 FVRQMJSLOWWMKI-MDWZMJQESA-N 497.130 4.998 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408792732 CFEYHNMGYISZNO-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1 409017393 WFYPQGBHOLATSE-YKQZZPSBSA-N 481.552 4.867 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2cccc(Cl)c2)cc1 409055431 BUVITLQFOVPWEV-VULFUBBASA-N 490.412 4.643 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(I)cc1 409212626 RAXIBPHRGUGFGR-WSDLNYQXSA-N 495.773 4.978 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409262378 HFIUNDJCAOJRQL-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C#N)cc1 8812892 XSSQSGQNZITYIG-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3)nnc2-c2ccccc2)cc1 9071327 FOPGNLZKUUVMLS-ZXVVBBHZSA-N 471.586 4.966 50 40 JJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccc([N+](=O)[O-])c1 9291788 ZVZHSNAXLDHXMD-JOCHJYFZSA-N 465.469 4.782 50 40 JJGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 9323635 FKNUCVJACVFQAQ-WKULSOCRSA-N 488.475 4.686 50 40 JJGB CCOc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)ccc1O 9693243 STTFFGJCGFBGJU-MRXNPFEDSA-N 455.967 4.972 50 40 JJGB N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 12276858 FENXBVKTNULLKD-QHCPKHFHSA-N 475.614 4.786 50 40 JJGB C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c1cccc3[C@@](C)(c1ccccc1)CC2(C)C 12407377 IUVBMXOKIJIXAJ-JYBCAQAXSA-N 479.580 4.736 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 13943660 OGIOHSRKNCGUHT-QVTSOHHYSA-N 463.537 4.903 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 16545839 QQYOOFOFRNODRM-MFOYZWKCSA-N 451.276 4.611 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(Oc2ccccc2)cc1 20059709 OASXKBSTZPSMGB-AFUMVMLFSA-N 492.384 4.702 50 40 JJGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 20348408 ONDYVJFTEYYDRA-JOCHJYFZSA-N 467.978 4.971 50 40 JJGB CCCCOC(=O)CCC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)OCC)=C(c2ccccc2)N1 24632107 QGLCAMQCTZIRTN-XMMPIXPASA-N 459.546 4.644 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408606155 OXPMKYVLCGPOJN-IBGZPJMESA-N 480.391 4.781 50 40 JJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408763747 UPBRQTVQSJJQCL-DHRITJCHSA-N 464.934 4.678 50 40 JJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408816075 SKOJLZVMSDYUPA-QGOAFFKASA-N 461.905 4.912 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 408851533 CKRONXOGPGVDBV-UNOMPAQXSA-N 492.373 4.607 50 40 JJGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 409122076 YUIUBLMLXNYKAP-JNWIWMBKSA-N 475.614 4.882 50 40 JJGB CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 2121915 SEQRKWRFGOQOGQ-MKFKGKHESA-N 459.590 4.807 50 40 JJGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1OC 2209665 FOURYLIXENNYKP-MRXNPFEDSA-N 471.966 4.585 50 40 JJGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 8382651 DNLXCPRPVOAMGU-QFIPXVFZSA-N 458.518 4.633 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 8811104 VEBJVYIVFNFFAU-DHRITJCHSA-N 469.881 4.608 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)cc1[N+](=O)[O-] 10118429 AVMYIMZZZPJHBE-SRZZPIQSSA-N 475.242 4.532 50 40 JJGB CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 59536240 ASJIARPFLNVMII-GZIVZEMBSA-N 461.143 4.736 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543687 QBVKHLBVCALBJU-TWKHWXDSSA-N 485.584 4.593 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc2ccccc2c1 408738347 VQMCPXRHBLTFSZ-UFFVCSGVSA-N 495.114 4.676 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)c1 409007337 NWPWQDHIUCIMLD-AFUMVMLFSA-N 466.335 4.539 50 40 JJGB Cc1c(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)nn(-c2ccc(F)cc2)c(=O)c1C#N 409059554 QPMHLECFAUWJNN-ACXHZZMFSA-N 475.483 4.622 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2)C2=C1CC(C)(C)CC2=O 409138653 GCLFHZGGCDEYSM-RUZDIDTESA-N 457.574 4.648 50 40 JJGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)C(C)C)c1 409153654 DRPGSXHWFSKMGL-DHDMPULVSA-N 489.572 4.725 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1 409218312 HXNRIDJBOGLLSL-LDADJPATSA-N 461.905 4.917 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)[C@H](O)c1ccccc1 409349303 POSDQCJYXWZJJB-RNRKLAHPSA-N 473.754 4.865 50 40 JJGB Cc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 832019 COJAMZSYGOMPKZ-UHFFFAOYSA-N 455.624 4.899 50 40 JJGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 880976 WLJDYDYAGFPIGA-MZJWZYIUSA-N 456.502 4.744 50 40 JJGB CN1/C(=C\C=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)(C)c2ccccc21 25391498 YRQBGYUIMJSJHH-JPCQLYNOSA-N 480.615 4.576 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(I)c1 59502267 BYVSSBHLLRKJFB-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 226337357 UGYJTHBVBRSKRN-QPJJXVBHSA-N 473.650 4.566 50 40 JJGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 408737755 OJHRREYQRVXBEJ-SWOYFSSUSA-N 492.963 4.671 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 408837496 HEZXSTCIOCTTOZ-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1 408856638 QRRIHOCPRFTXBH-QRQIAZFYSA-N 453.498 4.680 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 408993295 WBDZSFVFTXWACB-DHDCSXOGSA-N 477.742 4.899 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C2=C1CCCC2=O 409124109 KDIKTXBEOJCKNG-QFIPXVFZSA-N 464.909 4.557 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1Cl 409126392 NSVYGGSHFYBPHA-IBGZPJMESA-N 457.317 4.831 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1F 409127143 CXIHJOZSODAFHP-HXUWFJFHSA-N 454.889 4.707 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccccc1C#N 409134258 NXOCWXKJLGMUCH-QFIPXVFZSA-N 476.330 4.715 50 40 JJGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(OCc2cccc3ccccc23)c1 409362235 IPKISHGWOIWEMT-MIXAMLLLSA-N 452.510 4.883 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 3082565 UCXUUXVOAUKYMK-CCVNUDIWSA-N 455.436 4.682 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(F)cc1 30750459 IKZQHYPISHCJPP-NKVSQWTQSA-N 452.989 4.865 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)OC)cc(C(=O)OC)c3)o2)cc1 252479616 BIRDWLVZWSRBNU-XSFVSMFZSA-N 458.470 4.628 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 408542054 JREOWZSCFPCXEP-NVNXTCNLSA-N 461.109 4.986 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccc(C)cc2C)cc1 408866588 HAJHNYVUSSPYSV-OGLMXYFKSA-N 493.629 4.745 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OS(=O)(=O)c1ccc(C)cc1 408878975 CBWFEPYKYCOEAK-DHRITJCHSA-N 493.368 4.842 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1 408891172 MNJMTUCQILGXBG-WOJGMQOQSA-N 475.432 4.816 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2Cl)cc1 2077375 HBVIEIVIOSXYRB-VULFUBBASA-N 452.894 4.649 50 40 JJGB Cc1cccc(C)c1NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 4077350 SDDQKYLWJNZBCK-UMTMIXLZSA-N 496.361 4.840 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@H]1c1ccco1 20025963 VVJRPRJKKVMQBG-QHCPKHFHSA-N 463.559 4.639 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 20047764 DNSHNXYUSUCYLX-UHFFFAOYSA-N 459.587 4.730 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccccc1Cl 27827755 GKUSWBZCCWRCIU-QGOAFFKASA-N 452.894 4.623 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 96868612 FFBDKVFFJBKDNJ-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 100496976 VJXVLVHSQRZLSS-VEWQFJOQSA-N 488.547 4.781 50 40 JJGB N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1sc2c(c1C#N)CCCC2 209658578 DVIGHGWSSFMSFZ-XGICHPGQSA-N 456.321 4.535 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1O 408846301 MMXVVUIOAFTFJG-GHXNOFRVSA-N 466.129 4.780 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408890080 NMDIOWQJYMIBBQ-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408897495 XIOUEYCFNDKLEH-LDADJPATSA-N 482.945 4.970 50 40 JJGB Cc1ccc(COc2ccc(Br)cc2[C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1 409138484 COMGUZQOQJHCKD-FQEVSTJZSA-N 451.324 4.586 50 40 JJGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9631137 YBEZHBDWSNILRY-UHFFFAOYSA-N 470.476 4.949 50 40 JJGB COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)N(C(=O)CCCl)CC2 11726276 YAPRMTPGJKHLCH-GOSISDBHSA-N 457.876 4.856 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 27015492 HVRFHYBAGYYXJW-AFUMVMLFSA-N 490.317 4.974 50 40 JJGB CN(C)c1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 31723791 WWBRCYGPMKYDJN-DWVPNOFWSA-N 492.668 4.540 50 40 JJGB Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 58887443 FFZKTZDTZFHJMQ-IBUSPFOHSA-N 454.368 4.821 50 40 JJGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 59101455 IYMNAVPBONOOJL-JFLMPSFJSA-N 465.937 4.579 50 40 JJGB COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 408603618 GMJHLLRTCIJXGT-QGZVFWFLSA-N 461.330 4.811 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccccc1 408613079 ZGVZQGDMLWTSQD-IBGZPJMESA-N 479.964 4.814 50 40 JJGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 408719346 BXIIFTNIRRAXNU-WYMPLXKRSA-N 493.423 4.553 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408771601 HMWXHVJATMUOAT-XAYXJRQQSA-N 493.629 4.746 50 40 JJGB C=CCc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc(OC)c1OCC(=O)O 408850212 IGTFPHSRYYYSOO-UHFFFAOYSA-N 495.963 4.712 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC 409301031 CAIWYVDXWUBTAL-MIXAMLLLSA-N 489.572 4.964 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)ccc1OC 409331961 FICOJIRLPFNMSR-DICXZTSXSA-N 481.936 4.529 50 40 JJGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1OCC 409362780 KCYBZSXTTCQQDQ-CHHVJCJISA-N 463.271 4.881 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)o1 409368521 ACRZIVACTXRHRQ-SSDVNMTOSA-N 458.268 4.602 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br 3079794 HIGNTUCGEPURDM-UMYHVIPVSA-N 484.188 4.918 50 40 JJGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c(C)c1 13807195 MQQXTEVZIAHEAR-HMMYKYKNSA-N 456.546 4.768 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccccc1Cl 20348456 RMYSPTFVJKNWGV-QHCPKHFHSA-N 486.037 4.947 50 40 JJGB CCn1c(SCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1 31885654 VZDZZGIHJYFLEN-ONUIUJJFSA-N 457.559 5.000 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 37390776 FYPLXTBGTXCFTF-QFEZKATASA-N 498.333 4.638 50 40 JJGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC 107900870 SGBJOAQVIYDSDR-MFKUBSTISA-N 463.515 4.713 50 40 JJGB CCCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@]21C 254835259 FBRAWBYQGRLCEK-LYLRIJEXSA-N 478.988 4.701 50 40 JJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408728273 JHSBBHLCDBZUQX-YDZHTSKRSA-N 454.826 4.642 50 40 JJGB COc1cc(I)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408733862 BLROWIVFIPPEBC-AWNIVKPZSA-N 482.705 4.816 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1F 408885589 CKNXDGJEXZQZKO-LGJNPRDNSA-N 487.325 4.948 50 40 JJGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccccc1C(=O)O 408889594 HKFVQMSHBRSLLT-LICLKQGHSA-N 454.398 4.503 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccccc1 408897611 YXCVZLZFJMWVFN-XSFVSMFZSA-N 456.454 4.548 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2433270 ZXUCGHXWYYJWDA-PXLXIMEGSA-N 471.538 4.750 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 18173179 LUJOCYBOXXBQIV-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 33915843 QLNIHIHNHMMXNG-MYYYXRDXSA-N 467.319 4.831 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)ccc1Cl 408535502 YQCUMRIXPHHQFN-IPBVOBEMSA-N 479.842 4.968 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccccc1 408612155 XSPASCRCTRKMJM-LJQANCHMSA-N 479.964 4.814 50 40 JJGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1OC 408745945 BFDXPEDGXRRYQL-GHXNOFRVSA-N 466.129 4.774 50 40 JJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC#N 408813154 FNULIDOFDYMCPN-WGARJPEWSA-N 482.334 4.989 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 408849114 YVCNCKYXVATLKB-LGJNPRDNSA-N 460.481 5.163 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1 408963812 AXIMQDLAOIRXNG-IPPBACCNSA-N 485.462 4.804 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1OCc1cccc(C(=O)O)c1 409212148 NIYKUPPUKXOJQC-LGJNPRDNSA-N 484.961 4.868 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1O[C@H](C)CC 409242033 PROHXZGRMXRYLH-GKBXUSSOSA-N 451.336 4.857 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O 1054764 GEWOPZAOQFHGDI-AUEPDCJTSA-N 477.156 4.633 50 40 JJGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)o1 2748255 NRTZEBCDPNOXCX-UYKANAEJSA-N 496.367 4.845 50 40 JJGB CCCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2793846 KJDXZFSEFQLKQD-FUHWJXTLSA-N 482.576 4.576 50 40 JJGB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1Cl 8819721 UCJVLJSLAFRAIC-CYVLTUHYSA-N 488.034 4.563 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19948314 LEIABWRKMDETAM-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 20232070 UZYAGVOYMVGBSI-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3Cl)nc3ccccc3c2=O)cc1 32577053 NBCNVTMVOUDAPW-WGARJPEWSA-N 462.962 4.590 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 33702443 CXZOQDTWAVSSQB-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3nccs3)CC[C@@]1(C(Br)Br)[C@@H]2Br 169809727 MLAXNGBDVHHWPH-WCDAPOTHSA-N 487.055 4.767 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1OCc1cccc(C(=O)O)c1 206347468 FILUUPQVYKCFPX-HAHDFKILSA-N 495.535 4.720 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3)CC2=O)cc1 408611787 WNFAQICZHVAXDT-LJQANCHMSA-N 494.389 4.833 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408724935 HOHXCXQRPPSPAI-GDNBJRDFSA-N 462.287 4.634 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408793561 FSZWFRBCCHZXCU-WOJGMQOQSA-N 456.926 4.789 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCC(=O)O 408795765 NALQVAWLVTZMAY-AWNIVKPZSA-N 479.714 4.510 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2)cc1 408892723 CAURVEQOBWUFPM-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)cc1 408949251 AHIIKDVBOOLTLQ-XFFZJAGNSA-N 471.092 4.755 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409251131 OMMQDRMMBASBIR-YKKQWCMESA-N 491.975 4.821 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(F)cc1 409259603 BHAZYCKPZSFULH-FEYQCKCBSA-N 489.547 4.533 50 40 JJGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 409378404 OUUBWYXRCLTLEG-YBEGLDIGSA-N 494.866 4.950 50 40 JJGB CCc1cc(C)cc(OCCOc2c(Cl)cc(/C=N/NC(=O)c3ccncc3)cc2OC)c1 8984732 IWDNNIPDLIXTQL-LQKURTRISA-N 467.953 4.836 50 40 JJGB O=C(COC(=O)[C@@H](Br)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1OC(F)F 9582529 YYWPIFJUFJPRMX-IWGLNFRWSA-N 472.326 4.750 50 40 JJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214217 GJNLELHISDTHMG-HRJIBFCWSA-N 496.032 4.709 50 40 JJGB Cc1cc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc(C)c1Cl 30937480 KFDHMGQDDPPVHF-QPSGOUHRSA-N 490.579 4.717 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 59433192 REUILGRQGOVYIY-KVSWJAHQSA-N 460.921 4.634 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCCCC1)[C@H]2Br 103163081 VMWYZDLUGHXOAF-LKTVYLICSA-N 472.059 4.685 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCOCC4)cc3)o2)cc1 108109611 CGQRXFOCNDCGIO-FSGOGVSDSA-N 498.583 4.867 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 408611439 WGGXHEBNIFKIJJ-HXUWFJFHSA-N 463.965 4.978 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)c(OC)c1 408733610 MEXBUCJIHDZIRI-LGJNPRDNSA-N 480.362 4.750 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 408757361 YYBWDILUDKUCKZ-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 408785854 IQGMVZLYGCMOFM-WEMUOSSPSA-N 477.630 4.932 50 40 JJGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Br)cc2)c1C 408964809 FBDLLPAOWDAHQD-AFUMVMLFSA-N 454.368 4.948 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 409026600 TYPJLAOSVAREMX-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 409224329 KOCNRQHZJIXKLT-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409250952 NUULQZDVEXSMGW-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(OC)cc1 639172 NZNSZTRDLPRPMB-GOTSBHOMSA-N 458.539 4.520 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2415802 GEBTXFQSXLMAOZ-RCCKNPSSSA-N 471.538 4.750 50 40 JJGB CCOc1cc(Br)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 4181035 PJZZAHCKLQIWTR-IBGZPJMESA-N 461.356 4.697 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)ccc1C 9679168 IEONFBURQIYUFF-PXLXIMEGSA-N 460.530 4.976 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 16137066 CROKYYIKROYNRQ-ZXVVBBHZSA-N 463.603 4.963 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1)c1ccccc1 28214535 BLJCYVKWIFGZHX-IEVYWPCISA-N 475.614 4.715 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 30822036 AQSXUTMUIIFTNY-BKBIYGFMSA-N 460.530 4.957 50 40 JJGB O=Cc1cc(Br)ccc1O[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 71789923 BLLFLEXWBCJYNS-ZVEHZALQSA-N 465.185 4.677 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408974210 XBNQDJXWDHVZMS-JPXQZSQPSA-N 485.609 4.832 50 40 JJGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 409020053 YULMPHTWHKKNHB-ZDZUNBPVSA-N 470.784 4.707 50 40 JJGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1 663458 IZCSRXLGICVWDK-QHCPKHFHSA-N 486.597 4.639 50 40 JJGB O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 674505 CHTRRLSVMGPSHY-UHFFFAOYSA-N 455.558 4.799 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1O 2347779 ZPTYIHGYORJVFJ-FSJBWODESA-N 466.613 4.932 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)OCC)c3)o2)cc1 9012158 XHBVFKAYEYUCBA-HKWRFOASSA-N 458.470 4.846 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1OC 9014189 LEBWFEPSBCNXNB-LJQANCHMSA-N 473.554 4.568 50 40 JJGB CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 33361460 HYOJEIAOXDIFTB-PKAZHMFMSA-N 471.586 4.884 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 34695321 PRUAKZTWZMPACF-YVLHZVERSA-N 493.878 4.740 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 34837445 HFRQQZDMZQZNGP-ODLFYWEKSA-N 463.921 4.678 50 40 JJGB O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21 46085184 ZRRAIIODJBEVKA-PNOGMODKSA-N 479.536 4.555 50 40 JJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1cccc(Br)c1 408586055 BDKVABOUNIOUNF-CIAFOILYSA-N 452.443 4.893 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408646255 ILXJPGDJMUNOKH-KBXCAEBGSA-N 454.737 4.770 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccc(C)cc1 408827528 KHTPHNQCZJNKKT-OGLMXYFKSA-N 477.630 4.828 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(Br)cc2)C2=C1CCCC2=O 409125488 AOHJQHBUKZAJFP-JOCHJYFZSA-N 464.363 4.758 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)OC 409247943 ITVOVJLKEIELHU-AUWJEWJLSA-N 482.842 4.855 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C 409265947 VGPMANDFRBNZPJ-WGARJPEWSA-N 496.361 4.548 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 409377631 JLCRLTYMXLPFGF-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 1305682 HHVBIKOCERVAED-JFLMPSFJSA-N 460.607 4.986 50 40 JJGB Cc1nn(C)c2nc(-c3cc(F)c(Cl)cc3Cl)cc(C(=O)N/N=C3\CCCCCN3)c12 2626457 WPVRBVDEJRWYGO-UHFFFAOYSA-N 463.344 4.597 50 40 JJGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 8812895 NVQDKAVZAZKMTA-SSDVNMTOSA-N 455.736 4.672 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 19950114 VRRLHMHLLRDPGK-DHRITJCHSA-N 496.803 4.992 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20240372 WUENCASMVPYIDJ-OVVQPSECSA-N 477.406 4.535 50 40 JJGB CCOc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1OC 31729593 RWCMVYUWPLEWGC-YSMPRRRNSA-N 451.910 4.764 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58911954 UPRZNHHLRUVRON-PBEVGHANSA-N 457.361 4.728 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC 59104527 DPDAVYZKVCFKCF-WQRHYEAKSA-N 482.378 4.994 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3O)n2-c2ccc(C)cc2)cc1 100844025 QMTSWRCMCPTATN-IMRQLAEWSA-N 487.585 4.589 50 40 JJGB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)C1 102974158 SKFIUJUEYLBIRI-PEFNZVBESA-N 478.618 4.521 50 40 JJGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccccc1I 408589942 NOTQNKMLBCZLFN-BUVRLJJBSA-N 471.342 4.782 50 40 JJGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1C 408963735 ANKMBUSCXZVKQS-ZMOGYAJESA-N 487.341 4.731 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC(=O)O 408982073 FMFYAELYHAMUSU-VGOFMYFVSA-N 493.741 4.819 50 40 JJGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 409014042 LVAJAHLOHKSHSP-CVHZQBDDSA-N 470.784 4.707 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1Cl 409066420 VNJRPXJYGIBCSJ-RMORIDSASA-N 477.698 4.619 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 409080545 FFBJIKUIXGSKTH-FJEPWZHXSA-N 483.524 4.718 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409131548 VYZIKNNPSWUPDG-QFIPXVFZSA-N 494.301 4.860 50 40 JJGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3116451 NRQJZGQUKLRUBM-WPWMEQJKSA-N 453.454 4.660 50 40 JJGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CC(C)(C)CC2=O 12372450 BHLNWVDNIFZIMS-SANMLTNESA-N 458.949 4.696 50 40 JJGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccc(F)cc1 13922731 CWZBOUMZWDTFRH-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB COc1ccccc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 19826018 AGKQBIRJNNCTNG-WGARJPEWSA-N 464.978 4.989 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)ccc1OCc1ccc(F)cc1 408611197 VJRYAFJNRSLPGY-NRFANRHFSA-N 491.563 4.862 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408745894 WFUHKPSMQXMZQH-STZFKDTASA-N 472.497 4.917 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408778891 ZDBQLAHEUNUDKW-TWOFYEMPSA-N 457.877 4.506 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Br)cc1F 408968318 VILNXUXUBJUFHN-KBKYJPHKSA-N 457.278 4.770 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409027001 OISDVOFGKQUTEQ-PZLSILOWSA-N 495.601 4.573 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409083539 SSZWZSUXRMNOEV-WJDWOHSUSA-N 460.402 4.850 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1Cl 409269195 GVOMLJKUQHYVKN-LDADJPATSA-N 461.905 4.917 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 1091258 DAAWARMLSNRGDN-LGJNPRDNSA-N 452.894 4.810 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nc3sc4c(c3c2=O)CCCC4)cc1 1819435 DKSKLLVJEGYLEU-LGJNPRDNSA-N 492.626 4.778 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(C)cc1 3628363 CIZWTEHCHOHATJ-SANMLTNESA-N 456.498 4.920 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 8384320 OUYDQEQDUHQPAP-BUVRLJJBSA-N 470.422 4.619 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1CSC1=NCCS1 8437661 UFZYEJRBXDJMCH-HXUWFJFHSA-N 489.626 4.948 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccc(F)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558681 ZRWYMGQHLUSORC-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 33728537 JPYZIYJVOFOWFY-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1F 107849190 MWLRXOJNAIVETA-XMHGGMMESA-N 459.477 4.788 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)c(C)c1 408796556 PGSUODIEICODNC-AWNIVKPZSA-N 497.130 4.922 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OC(=O)c2ccccc2)c(OC)c1 408898513 WLNNAVVAPUTITB-VULFUBBASA-N 497.345 4.758 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1Cl 408974455 ZJKJUZQXTFWXNW-MZJWZYIUSA-N 466.969 4.968 50 40 JJGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(N(C)C)cc1 409011586 GMECSARCNYLBGC-YIKVUHRZSA-N 493.435 4.508 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409187731 AZIFUMROPKUWJV-STZFKDTASA-N 461.518 4.877 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)c(C)c1 409248906 HUSCJWWXMBBDOC-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)cc2)n1 948341 VMJJGWUOVCMCBY-KGENOOAVSA-N 475.574 4.563 50 40 JJGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)cc2)cc1 2056273 RHNTVSCHNBADIO-OGLMXYFKSA-N 493.629 4.665 50 40 JJGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1F 3057061 VOFXVTMMCZNOAG-HPNDGRJYSA-N 493.336 4.970 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 3214658 KEJXCQMYQFZRQY-AREMUKBSSA-N 461.523 4.986 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1 9762984 SEWDYTLGYBEPIP-CCVNUDIWSA-N 474.513 4.595 50 40 JJGB Cc1cccc2c1N=C(O)/C2=N\NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 13062616 PKKBENOOEDVQTH-UHFFFAOYSA-N 496.548 4.593 50 40 JJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 28214151 UYLNTZPIUIGTIL-AEIQVQRHSA-N 467.978 4.988 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218158 UHSXEGPNOAPWSR-LGJNPRDNSA-N 451.313 4.516 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 33715919 PWMUMHYROGTLMC-DEDYPNTBSA-N 475.932 4.589 50 40 JJGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 408608898 XJUAYLGCULVVSG-HXUWFJFHSA-N 467.982 4.853 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 408737945 LANPWAIPLUBJHJ-WYMPLXKRSA-N 472.270 4.839 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OC(C)=O 408754534 NVIKXMNLIYFZTD-MLPAPPSSSA-N 494.139 4.691 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1Br 408764059 RKZRRBMHYNRYIE-QPEQYQDCSA-N 478.140 4.968 50 40 JJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)c1 408819784 SZBWIDASEIVAIX-BOPFTXTBSA-N 450.878 4.619 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 408846517 NTRCOYZSGAULMV-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1 408868935 OHVPBZCOSHJTQV-QFEZKATASA-N 454.324 4.586 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 409008086 SYFVKAXZXAFNMB-ZHZULCJRSA-N 471.513 4.575 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(F)c1 409139483 NWPKOZSCPHOWME-NRFANRHFSA-N 499.336 4.991 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 409371283 HNLIEPLIJUQADO-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB N#CC(C#N)=CNc1ccc(-n2nc(Br)c(Br)c2Br)cc1 2162933 TWEBKQIBQGSQEY-UHFFFAOYSA-N 471.938 4.503 50 40 JJGB CCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2793849 KJDXZFSEFQLKQD-AEFFLSMTSA-N 482.576 4.576 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2cccc(C#N)c2)cc1 8812862 BKDTVXILYQFGPH-VULFUBBASA-N 464.319 4.672 50 40 JJGB COc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2ccccc12 8871562 VQFUSTMVWGVYLQ-OGLMXYFKSA-N 451.954 4.942 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccccc2)c([N+](=O)[O-])c1 8916234 JDGZECQQPWOCLW-CPNJWEJPSA-N 459.458 4.737 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1ccc(F)cc1 12859503 YUYJIIRJIBBLBE-RWPZCVJISA-N 464.493 4.590 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 13897310 OENGLKKWRBQDKB-ZXVVBBHZSA-N 471.586 4.889 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)c([N+](=O)[O-])c1 15018671 IAVXRJKLHPAGDR-RWPZCVJISA-N 480.480 4.782 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 23382871 CNUODDVVQSTZFE-RWPZCVJISA-N 485.415 4.997 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc(Br)cc1 59445079 GEGXXZYIGOBHOM-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)CO)[C@@H]3CC[C@@H]2C1 204863033 BDSXTAZQULRQBM-BJGFIVMASA-N 478.746 4.891 50 40 JJGB in-vitro CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408591793 VEIVPNDPNPWNOU-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408749361 NRPVQCSFUUFKAP-DHRITJCHSA-N 493.368 4.842 50 40 JJGB O=C(N/N=C\c1cc(Cl)cc(I)c1O)c1cc2cc(Cl)ccc2o1 409021852 CBCYXJZLYXHMLG-SCDVKCJHSA-N 475.069 4.814 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409028280 KYEKRHKETRSMOH-RUTRRBQKSA-N 495.601 4.573 50 40 JJGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C(=O)OC)ccc3C(=O)OC)n2)cc1 1251168 UDKOVKHLFSMFOJ-GHRIWEEISA-N 463.515 4.759 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2cccnc2)cc1 1479562 QISOBLHHRODOFL-JFLMPSFJSA-N 492.992 4.624 50 40 JJGB O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc2ccccc2oc1=O 3375877 MSAWFCBFZUGHSR-UHFFFAOYSA-N 469.884 4.736 50 40 JJGB CSc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 8778901 PPFWQOKPLXIVIJ-BUVRLJJBSA-N 453.589 4.590 50 40 JJGB COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccc(C)cc1)c1ccccc12 20558560 HXWVDUREHYCMAD-DEOSSOPVSA-N 485.565 4.530 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2O)c(C#N)c1C 408545989 BMIBTFBFBQADMW-UUILKARUSA-N 493.766 4.945 50 40 JJGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1 408887296 PIQTYTPKRCKTMK-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 409269871 ALNPDJILBHPQIE-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1911502 FPNQWEQEWLQXGE-MHWRWJLKSA-N 450.476 4.671 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)cc1 2176365 WRINRDHYEWHHEX-FSJBWODESA-N 497.231 4.895 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1OC 2253533 ALCIPBOWGZEBPT-JOCHJYFZSA-N 480.524 4.783 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1 2327624 WHFCPZYSBHJMSX-UFFVCSGVSA-N 465.025 4.735 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc(OC)c1O 9308656 NRWJTWJBOWDRQR-QHCPKHFHSA-N 496.523 4.597 50 40 JJGB CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2cccc3ccccc23)nc1 11006697 SQMFSORRYYFPDD-UHFFFAOYSA-N 461.547 4.599 50 40 JJGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(Cl)cc1 13685732 LFVLJCQWCCEICL-QRQIAZFYSA-N 476.989 4.980 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCCC(C)C)=C(C#N)[C@@H]1c1ccco1 20348203 WZGIEMJTWLYVDF-JOCHJYFZSA-N 479.602 4.571 50 40 JJGB COc1ccc(N[C@@H](C)C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 32705959 WALADQCSKJDDDG-QVMKDISWSA-N 482.378 4.987 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2OC)cc1 35199590 OHZFWVRWIJIIIN-QGOAFFKASA-N 491.931 4.920 50 40 JJGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1OCc1ccc(F)cc1 408610841 UOYIOUQVTJRPAN-QGZVFWFLSA-N 483.927 4.563 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409264285 OIGJRENZAZZRIB-BUVRLJJBSA-N 483.568 4.943 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@@H]1c1cccs1 1828499 HLZXXGPYVKPHNK-HSZRJFAPSA-N 493.610 4.748 50 40 JJGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1cc(OC)ccc1O 2326804 XSJALWSGPMVZMC-GZTJUZNOSA-N 478.526 4.860 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)cc1CSc1nnc(C)s1 2415940 TYAIWVBZEYJTCX-ZVHZXABRSA-N 463.588 4.702 50 40 JJGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC 10118658 PLYACTRERBQQAL-WSDLNYQXSA-N 484.721 4.672 50 40 JJGB CC(C)Oc1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20058116 MUZWKOUVEGYRQA-IZZNHLLZSA-N 493.567 4.536 50 40 JJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 28214198 COLBXCLVRIDJBL-GBYSFBBLSA-N 482.005 4.666 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 34895807 OOKSEXJUZKYUBL-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB O=C(NC[C@H]1SS[C@H](CNC(=O)c2ccc(Cl)cc2)S1)c1ccc(Cl)cc1 41097467 NNUXBNTZFNUFCC-HZPDHXFCSA-N 459.445 4.934 50 40 JJGB C#CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408905569 ZINLHTJKMYHWDX-NHDPSOOVSA-N 465.145 4.688 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c2ccccc12 409012965 JLUONRFMPZOQAN-YJGSSNSBSA-N 481.980 4.562 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@H]1c1cccc(Br)c1 409320917 FUCAEPBDKHYGJR-AWEZNQCLSA-N 494.773 4.952 50 40 JJGB COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409324217 ROXYCKHPNHFQCQ-QFEZKATASA-N 469.335 4.809 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1784310 IRGHIXCCOOHNGD-WKULSOCRSA-N 482.565 4.827 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c(O)c1 1798398 ZRYHEHZWLMRTQK-YDZHTSKRSA-N 487.676 4.625 50 40 JJGB Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 2216716 DMYFQQGGMRIZMI-VULFUBBASA-N 462.962 4.590 50 40 JJGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccccn2)cc1 8386338 DRJZWCZZAQYSFB-ZIESHWKISA-N 475.980 4.502 50 40 JJGB CCCCc1ccc(NC(=S)NNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)cc1 8853855 FEHXDQJZHSGUCD-UHFFFAOYSA-N 455.531 4.628 50 40 JJGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2)ccc1OCc1ccc2c(c1)OCO2 9305878 JJQBIYGSGJSGOT-STBIYBPSSA-N 490.556 4.875 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(I)c2)o1 59435312 STKRWOZUXUKHKL-SRZZPIQSSA-N 475.242 4.532 50 40 JJGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(Cl)c(O)c(OC)c3)c(-n3cccc3)c12 78546568 GEQOKABHPSVGOX-OPEKNORGSA-N 484.965 4.673 50 40 JJGB O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@@H]3C=C[C@H]([C@@H]4[C@@H](Br)[C@@H](Br)[C@@H]43)[C@@]12Cl 104129582 YPOSEOALJLAJOD-HLRUWNOASA-N 481.826 4.802 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 408566432 GKPHIYJVQHEOQO-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc([N+](=O)[O-])cc1 408718773 HJBCBLUYIMRLDG-ZMBXMFMZSA-N 451.523 4.849 50 40 JJGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408815317 RBCPWKRCDLCKIM-GZTJUZNOSA-N 487.350 4.969 50 40 JJGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408903981 BZBRGIAQZHWKBX-CFRMEGHHSA-N 460.402 4.592 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1 408923878 KVDLADNODUFEQB-QGOAFFKASA-N 495.944 4.612 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408925684 STHICNJXFKRWNZ-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409264594 LELKJHTXEDHWDM-YSMPRRRNSA-N 451.910 4.520 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 654749 RXUIOUUWWLAYKE-NRFANRHFSA-N 451.866 4.642 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 1790323 UOGGUPMYBLGQSF-BAACNHRGSA-N 452.750 4.558 50 40 JJGB COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)sc2c1CCCC2 2326147 YZUTUZKTRSOFRG-WJDWOHSUSA-N 454.548 4.755 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 8452162 NMCLCQHHSCRKNS-VFCFBJKWSA-N 493.629 4.774 50 40 JJGB O=C(CCSCc1cn2ccccc2n1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 12629034 CQRACFGQPOYDIU-UHFFFAOYSA-N 495.004 4.651 50 40 JJGB COc1ccc(OC)c(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 19800123 NVRMKVDUIQIBGN-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1cccs1 20029039 UUHRDHZWBHUMGO-JOCHJYFZSA-N 465.600 4.854 50 40 JJGB COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1Br 29764215 JKHJTLHPEFFIOC-ZSOIEALJSA-N 457.143 4.559 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2)Cc2ccc(Cl)cc2)c(C)c1 33459271 SJGKTPOJAJIBQW-DICXZTSXSA-N 484.021 4.606 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)c1 408764797 SSDKDXOJNKYTJK-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408794361 ICVNTMNWRAACPR-DEDYPNTBSA-N 487.468 4.515 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OCC 408963600 CPZDNTHHNQPWGP-SSDVNMTOSA-N 476.283 4.665 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1 409263543 HNUZQQSNSIGBDX-WGARJPEWSA-N 480.362 4.847 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OCC 409313466 CBKYEGZTKVGBFL-MIXAMLLLSA-N 489.572 4.964 50 40 JJGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@H]1c1ccc(F)cc1 409319987 ALFKUOZYUKALSH-ZDUSSCGKSA-N 450.322 4.843 50 40 JJGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3F)=C2C#N)cc1 409326237 IUDBDZMJISLZNK-HNNXBMFYSA-N 474.355 4.607 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(F)cccc1Cl 1086203 CVMSVUBYBLPGIC-NRFANRHFSA-N 454.889 4.707 50 40 JJGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2340812 HUGHCEGIPZTNPJ-NLTRVXJZSA-N 471.557 4.611 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OC)c1 2888120 PMKKFLZTYRICAT-FUZKNQEWSA-N 455.514 4.540 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 13055140 KTHGUQAEBHWZKK-FQEVSTJZSA-N 457.939 4.564 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)c1ccccc1 28213767 SEYSYYAGZTXCJH-RGKQAONTSA-N 496.032 4.980 50 40 JJGB O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@@H]3C=C[C@@H]([C@H]4[C@@H](Br)[C@@H](Br)[C@@H]43)[C@@]12Cl 104129578 YPOSEOALJLAJOD-MEROSESVSA-N 481.826 4.802 50 40 JJGB CCOc1cc(C)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 408566686 AXWAHJKRXFGQEC-ZVHZXABRSA-N 460.621 4.800 50 40 JJGB COc1ccc(NC(=S)NNC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 408586608 PGQZFPCSYMISSM-UHFFFAOYSA-N 499.184 4.598 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCc1ccccc1Cl 408610618 OOGYZXDHDSZTBQ-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1 408724120 FQPUOHLJWVFZMQ-OGLMXYFKSA-N 452.514 4.707 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2c1 408781593 CPBREUYMWRHLIX-WXCKAEPMSA-N 451.530 4.845 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408786444 KAVRBXLAJJXVPM-XAYXJRQQSA-N 493.629 4.746 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC)cc2Br)cc1 408795826 MSHMPJBWHMNUEG-GZTJUZNOSA-N 487.350 4.969 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 408847047 MCHUXNAMOMYDRH-NKVSQWTQSA-N 482.128 4.826 50 40 JJGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccc(I)c3)c2)cc1 408899882 RLESIANESOGCHA-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C 408999168 PMWOPLXGIRHICB-VKZMAOFBSA-N 499.615 5.000 50 40 JJGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C 409011867 ORGSZQYUAFJAKR-LQNQUEJISA-N 497.551 4.703 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 409267737 WCANCOVQPGLJNB-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB C/C(=N\NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)c1ccccn1 779751 WDDRUQNKSSKPIW-YDZHTSKRSA-N 483.204 4.958 50 40 JJGB CC(C)(C)NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 8880198 PUDPDFGHDJQSBG-UHFFFAOYSA-N 486.037 4.764 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(C#N)cc1 9204519 AAVXTLHCNXGSOD-JFLMPSFJSA-N 478.346 4.601 50 40 JJGB O=C(CCl)N1CCN(c2nc(-c3ccc(Cl)cc3)nc3sc4c(c23)CCCC4)CC1 12635976 WGMCYCURBLBPBU-UHFFFAOYSA-N 461.418 4.778 50 40 JJGB C/C(CC(=O)Nc1cccc(I)c1)=N\NC(=O)c1cccc2ccccc12 13381846 LPXQHJUBGNRKHJ-ZVHZXABRSA-N 471.298 4.579 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 13922433 QWQQKSUEMLQRBV-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)cc2)cc1 14134297 NLACZSWRHSFNLC-VULFUBBASA-N 499.352 4.741 50 40 JJGB Cc1cc(C)c(NC(=O)CCCC(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)c(C)c1 14406373 SHYAPOHGVHQBTQ-WGOQTCKBSA-N 461.522 4.570 50 40 JJGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc2c(c1)OCO2 16214776 JCPIQMTUYRGZLB-RGVLZGJSSA-N 491.507 4.707 50 40 JJGB Cc1n[nH]c2c1[C@H](c1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl)C(C#N)=C(N)O2 18276825 QTUBQPDWZSGSKW-LJQANCHMSA-N 472.288 4.730 50 40 JJGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)OCC)=C(c2ccccc2)N1 25515046 OTQKBKNWPVMJLG-JOCHJYFZSA-N 477.586 4.554 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3cccc(OCc4ccccc4Cl)c3)n[nH]2)cc1 30735533 GGCDSTAGYXLKFY-MBTHVWNTSA-N 488.931 4.860 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 58925352 PXFCOTOISLIBED-LFVJCYFKSA-N 492.022 4.536 50 40 JJGB O=C1N=C(S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)CCN2CCCCl 103099266 WWTVSYNSVGINBR-SSZFMOIBSA-N 460.386 4.574 50 40 JJGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408530192 LNHVRDMZBPOZTJ-XODNFHPESA-N 472.423 4.755 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 408610604 ONBXPKYGILFNIY-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 408785788 BWOCRMOXEBLJMS-ZMOGYAJESA-N 487.341 4.780 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cc(OC)ccc1OC 408801628 WLZNHJLMXBRUAN-XQNSMLJCSA-N 486.568 4.947 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)cc1 408821301 FWYLHKCEGPJPSD-ATVHPVEESA-N 484.293 4.783 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408889756 GWJLMJYMJDCVCO-DHRITJCHSA-N 493.368 4.842 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 409205041 NNUAXMIEAODSQM-YBFXNURJSA-N 478.346 4.809 50 40 JJGB Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c2)cc1 409222751 FBPMBTLLAKBMIN-UHFFFAOYSA-N 467.481 4.823 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc4ccccc4c3)c3ccccc32)o1 409389033 AENZCEIUWSYRNO-RWPZCVJISA-N 451.482 4.986 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(OC)cc1 639168 NZNSZTRDLPRPMB-XZOQPEGZSA-N 458.539 4.520 50 40 JJGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O 1888899 IRFNWHKFBUWFCT-UZEPBSNMSA-N 485.584 4.919 50 40 JJGB C/C(=N\NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1)c1ccc(OCc2ccccc2)cc1 4001341 BUCIFETVNSOVTJ-VFCFBJKWSA-N 483.528 4.881 50 40 JJGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N/NC(=O)COc1ccc(C)cc1Br 12447003 LWYPLMQXAGMGGH-UQQQWYQISA-N 460.372 4.582 50 40 JJGB CC(=C/c1ccco1)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 16136485 ZWJLXRZCCYTFBD-CFXPVZIASA-N 478.961 4.930 50 40 JJGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 27018707 IEZKZRPJOCMDQS-LTGZKZEYSA-N 450.498 4.920 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)NCCc1ccccc1 58882681 GAXRXGNAKGKRKB-NVMPUMLXSA-N 491.591 4.707 50 40 JJGB CCN(CC)c1oc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Sc1ccccc1[N+](=O)[O-] 98053840 QFPOMYRJEWPJRB-UCQKPKSFSA-N 483.506 4.857 50 40 JJGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 408613008 YHFYLMCZNQWQGU-MTDXEUNCSA-N 475.545 4.542 50 40 JJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 408747203 KLJFOJNSVPUPPZ-FMFFXOCNSA-N 484.559 4.947 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c(C)c1 408784705 WOEIHAMLKGMLTL-JVWAILMASA-N 459.571 4.526 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C(C)C)cc2)cc1 408786423 JUZMBCUTDQZJOV-JVWAILMASA-N 467.566 4.603 50 40 JJGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1I 408811132 LWYFZZBNBRQNKC-UKWGHVSLSA-N 499.102 4.572 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 408976938 TUYXYYFOBBGBOZ-MUFRIFMGSA-N 468.509 4.849 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3C#N)cc2)C2=C1CC(C)(C)CC2=O 409124051 IVWATKNMCVQKPS-SANMLTNESA-N 482.584 4.520 50 40 JJGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 2339403 MBNDFHMJJMNRSW-ZVBGSRNCSA-N 494.023 4.943 50 40 JJGB C[C@@H]1CC2(CCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(F)cc1c32 14162296 FWHIXZQSFLIYNI-ASHKIFAZSA-N 461.537 4.597 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 19949606 JMAOIGJDPIYVTI-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 408743825 HNUREMYFYWEUBW-NDENLUEZSA-N 472.497 4.947 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408761206 CYMOTSAZIKSDBL-CCVNUDIWSA-N 452.436 4.854 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCC(=O)OC 408794145 RNQVEKGDAUBLLH-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 408960936 JSQBYMIISNBAEW-CCVNUDIWSA-N 463.453 4.980 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)c(F)c1 408965829 IXDDVZBZLPBOIP-VFLNYLIXSA-N 473.895 4.708 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2C#N)C2=C1CC(C)(C)CC2=O 409130939 XKMBXXPRIILTFE-AREMUKBSSA-N 482.584 4.520 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409268490 UMGVINOQUQLHLQ-WGARJPEWSA-N 496.361 4.548 50 40 JJGB CC(C)(CCl)C(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(C)(C)CCl)cc2)cc1 2153889 LGFYRZSJGWYGJW-UHFFFAOYSA-N 487.401 4.860 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)c(Br)o1 3150780 LHMFSJNFTPUDIZ-BLLMUTORSA-N 470.932 4.641 50 40 JJGB CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccc(F)cc1)NC(=O)[C@@H]2C#N 9015488 QFLQZLSTWDSQSH-NFUMSIQGSA-N 454.571 4.725 50 40 JJGB Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)[C@@H](C)Nc3nc4ccccc4s3)cccc2c1=O 9254416 BCGHRGPMTQJMNF-MRXNPFEDSA-N 498.564 4.640 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1 12250803 LPLGXOJBGUIKHA-XMMPIXPASA-N 476.602 4.796 50 40 JJGB O=C(N/N=C/c1ccccc1F)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20059454 ROBPNKWILCOYPA-VUTHCHCSSA-N 487.556 4.985 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 408612846 YYVNRIXUKZISSI-IBGZPJMESA-N 479.964 4.814 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(I)c1O 408794669 APLZAIIGCVQKIQ-WUXMJOGZSA-N 498.704 4.603 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 408811626 ADYRTMVJOAVTKP-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2OC)c1 408819553 ZHSFHGZISYBBQY-RDWVIGLTSA-N 464.562 4.893 50 40 JJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c1C 408857307 NOYSIXUJXIQWMU-RGEXLXHISA-N 453.498 4.789 50 40 JJGB O=C(Cn1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21)Nc1ccc(F)cc1 408904844 PLBIFCVKCUUUBM-QDTIIGTASA-N 499.458 4.837 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1Oc1ccc([N+](=O)[O-])cn1 409022128 FQBPANMQGTXXFQ-GATIEOLUSA-N 466.837 4.954 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccccc2C)cc1 409183951 GSPKGAZNWPLLGI-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c3ccccc32)o1 409389397 AWUSNRYBUWAHLC-LGMDPLHJSA-N 455.470 4.623 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 1421867 IIAFXBJSDKTLSA-VWLOTQADSA-N 478.474 4.753 50 40 JJGB C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 2080249 AXAXXQZQHIVCPR-STPJHCLOSA-N 452.352 4.979 50 40 JJGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1OC 2199004 QCCRLQZJLSJNMU-NRFANRHFSA-N 498.366 4.747 50 40 JJGB Cc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c(C)o1 3255130 HQOPYTZJIQQEGC-MZJWZYIUSA-N 452.470 4.619 50 40 JJGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 6190613 JBEQDEHQWAKZSA-BATDETSNSA-N 492.963 4.671 50 40 JJGB COc1ccc2ccccc2c1[C@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N 27329748 IZNJLNXVBGLSPH-LBNVMWSVSA-N 471.564 4.774 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)/N=C2/N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 102957689 ROBKIEPIALALFX-DGYIVWTNSA-N 473.330 4.596 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(Br)c1O 137020644 LRKJZYWNQZUGQL-WUXMJOGZSA-N 451.704 4.761 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408543194 NHGDZMVOERGSKY-GATIEOLUSA-N 490.566 4.833 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)c1 408763638 UBANQYBIODRWHB-XMHGGMMESA-N 450.498 4.834 50 40 JJGB O=C(CSCc1ccccc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 408993493 DLYPCHGJZAJOHL-YDZHTSKRSA-N 491.411 4.731 50 40 JJGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 409111807 CUQRCSXLIXSGBF-FLOSOGMCSA-N 465.550 4.783 50 40 JJGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2)nnc1-c1ccccc1 409189484 PPAQPBLMLDKGPL-PCLIKHOPSA-N 472.530 4.788 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1 409311112 FHBGPCKWSXDCRD-CQSZACIVSA-N 450.322 4.843 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1OC 409325818 BLHQPKYMMMTCPY-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 2654764 ANQJCUXQDHBDBZ-UHFFFAOYSA-N 451.573 4.710 50 40 JJGB O=C(Nc1nnc(SSc2nnc(NC(=O)c3ccccc3)s2)s1)c1ccccc1 3016535 AJVNAMSHIXQFND-UHFFFAOYSA-N 472.602 4.694 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 9259301 MQZKVKIQTKBNOW-FSJBWODESA-N 471.311 4.537 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1C 27017290 MAUZMLVRUXQEQQ-HAHDFKILSA-N 463.541 4.865 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28215154 CQSJABSNPSPZCS-LGJNPRDNSA-N 472.328 4.540 50 40 JJGB O=C(N/N=C\c1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 32705921 BOZUSZYOPLIBLP-AFPJDJCSSA-N 452.685 4.564 50 40 JJGB COc1cc(OC)c(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 38205692 BIKFOBXUNBVPSQ-MYYYXRDXSA-N 453.336 4.749 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 58823994 QEROOJMJXFKZSC-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB O=C(Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21)Nc1ccccc1 408676204 GYRYPKWURFBIMW-RDRPBHBLSA-N 465.557 4.644 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408735042 MRNYPSIQFLDXDH-JIARHERNSA-N 461.345 4.783 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC(=O)OC 408763823 PCFGMWKPEFLOCK-AUWJEWJLSA-N 493.741 4.599 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc4c(c3)OCCO4)c2C)cc1Br 409366575 WLRYBDSXWNKZEQ-WGARJPEWSA-N 482.378 4.629 50 40 JJGB N#C/C(=C/c1ccc(I)cc1)c1ccc(I)cc1 409367937 OOZKKWORLGOHRN-LCYFTJDESA-N 457.052 4.960 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCc1ccccc1 409380210 KKTYDCRDDDSTLP-JFLMPSFJSA-N 488.426 4.799 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1889025 IDOYFWYOZMMFSU-GHIWRQRASA-N 481.936 4.815 50 40 JJGB Cc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nc3ccccc3c2=O)cc1 3358783 ICCMLEFZIMZLBT-UHFFFAOYSA-N 465.538 4.628 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccco3)n2-c2ccc(Cl)cc2)cc1 9762502 BAYKALJIRIVRIA-MFKUBSTISA-N 481.965 4.822 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 20207056 GAWXCNPEGBQIJG-JJIBRWJFSA-N 476.023 4.754 50 40 JJGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12 27905005 QWGRJHGTVOSTOG-HZHRSRAPSA-N 465.509 4.711 50 40 JJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC 35213437 ULIGNCRDKKZUAD-XIJPWPHISA-N 451.932 4.677 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38650281 WNTHFVUSAWURBG-JOCHJYFZSA-N 477.314 4.895 50 40 JJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 408568444 ULYRLYIWRCELJD-SSDVNMTOSA-N 468.189 4.908 50 40 JJGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408787436 ACFKCAJZBHDKHP-UKTHLTGXSA-N 461.113 4.660 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408791072 SSPNGMFYFWUKPY-VGOFMYFVSA-N 493.741 4.599 50 40 JJGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2)cc1 408907165 LUBKSPOIZOOGNL-TURZUDJPSA-N 487.581 4.584 50 40 JJGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1 408942839 RUNOWEFEJNNTTK-DHRITJCHSA-N 467.367 4.562 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc(I)c1 409189288 OTAANKPKVPCQPM-BOPFTXTBSA-N 459.331 4.665 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC 409321399 GFOZTZMJSZDSHQ-DICXZTSXSA-N 481.936 4.529 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OCC 409333225 NUPOJFGABZNVRD-MYYYXRDXSA-N 494.460 4.857 50 40 JJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(Cl)cc1Br 1021436 XBCPVGIFFOSFLD-AUEPDCJTSA-N 482.165 4.779 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 9075443 LPKMHLUULNZTRZ-RUZDIDTESA-N 484.581 4.664 50 40 JJGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1[N+](=O)[O-] 9720500 PQZLLRHZIGTJFQ-MZJWZYIUSA-N 499.564 4.772 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccccc1 9831805 LJANDAHFNXMKBU-QHCPKHFHSA-N 479.330 4.960 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1 9909991 NEONALXJMRCECY-UQNFDQQLSA-N 471.376 4.747 50 40 JJGB N#C/C(=C\c1ccccc1OCc1cccc(C(=O)O)c1)C(=O)NCCc1c[nH]c2ccccc12 19877238 VTNDPSJPOVDSTP-HZHRSRAPSA-N 465.509 4.711 50 40 JJGB CC(C)(C)NC(=O)[C@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100469747 VJSQZSFNIPMTTB-ULOPGQLASA-N 460.048 4.587 50 40 JJGB O=C/C(=C\Nc1cccc(N/C=C(\C=O)c2nc3ccccc3o2)n1)c1nc2ccccc2o1 100525809 PSAIYKPOYOGPKD-UNZYHPAISA-N 451.442 4.668 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 408754288 PXGHDIOEHZVTEQ-QTPRHWQCSA-N 479.602 4.631 50 40 JJGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 408860810 FNPLIERPNHYHLZ-UHFFFAOYSA-N 478.014 4.679 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408883929 XEVXYDNUCNDGGS-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 409200719 JWWFBDNIDWVQPH-VULFUBBASA-N 483.977 4.609 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2)cc1 409229988 AMQJXNPGASCHJD-MOHJPFBDSA-N 453.542 4.669 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409259689 COAQQOXSEBSIGC-BUVRLJJBSA-N 483.568 4.943 50 40 JJGB CC1(C)[C@]2(C(=O)N3CCCCC3)CC[C@@]1(C(Br)Br)[C@H]2Br 2667724 VMWYZDLUGHXOAF-WKPIXPDZSA-N 472.059 4.685 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC(C)=O 12140007 HZZOSFQCZDFUHM-LZYBPNLTSA-N 451.460 4.725 50 40 JJGB COc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 36040324 IYQVPDMRIOLQMI-VIYUYKEISA-N 492.357 4.557 50 40 JJGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58913504 VXGUWWPFVSZLQI-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58913544 ZRVXODFRFJKZNQ-KVSWJAHQSA-N 492.885 4.864 50 40 JJGB O=C(N/N=C/c1ccccc1Br)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 58919218 PXDBMVQSRSLCOC-DXPRYJPLSA-N 494.414 4.987 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O 59678986 VEVJPDRLBSPEBY-NVNXTCNLSA-N 461.301 4.740 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408828065 IRPQVQBDEVZWOE-WGOQTCKBSA-N 481.643 4.679 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c2ccccc12 409012963 JLUONRFMPZOQAN-JSPCPOQUSA-N 481.980 4.562 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1 409063144 HRNBUCXKABFCBS-KKMKTNMSSA-N 450.857 4.987 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409194124 NCHUYJRVDYOLDB-BOPFTXTBSA-N 485.943 4.861 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)c1 409255460 ZWLQTJSSKKYJHC-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 669284 YSMNKCQAUQWEDZ-OAHLLOKOSA-N 482.172 4.671 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 2233059 ZSUQEQLSMHTRAA-RKUQBJHPSA-N 499.596 4.859 50 40 JJGB CCCC(=O)NNc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 2293799 VBDLKHBYROYGPZ-UHFFFAOYSA-N 472.589 4.909 50 40 JJGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c1 2326494 AZSNVDRDWNSHIM-GOSISDBHSA-N 456.365 4.677 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1 3090246 BYDKNBMFGWXFJG-OKCVXOCRSA-N 471.488 4.769 50 40 JJGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 12137144 OELSGKGBBPXVRD-IBGZPJMESA-N 459.546 4.567 50 40 JJGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402276 IIAFXBJSDKTLSA-RUZDIDTESA-N 478.474 4.753 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19950228 CDRAUAKKPQQHLY-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB CN(C)c1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30750253 OMRUMRAATYYSFF-JJFYIABZSA-N 478.068 4.792 50 40 JJGB CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 31983052 BHDYGKXZMUAJLZ-SDCZFJSOSA-N 478.552 4.783 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Br)cc1OC 33689849 TXLVXTHUFVUKNZ-UFFVCSGVSA-N 478.324 4.743 50 40 JJGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc21 208440605 OYAGGKZDLLNTCY-YDZHTSKRSA-N 459.331 4.687 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccc(Cl)cc1 408542186 HMJBUFIMMVEQEK-AWNIVKPZSA-N 484.746 4.725 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 408611818 WSYRWVSHLVGHIH-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1Br 408755071 POGQQBLEAGNZFU-WQLSENKSSA-N 483.103 4.608 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408790606 XFXSEQYFRPCDBK-OVCLIPMQSA-N 459.727 4.977 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCC(=O)OC 408797332 RFILPRWPPROVBC-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccc(F)c1 408885631 DDJBXHQMQGRDQC-DHRITJCHSA-N 471.282 4.580 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409041990 WRXOUBWUKNBMHT-SAPNQHFASA-N 499.567 4.673 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409043622 SFFXTMYTJZIICY-UYRXBGFRSA-N 459.477 4.706 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)c(C)c1 409269394 IQDFURAXYZSCKX-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)c1OC 9292357 XNMUNSBRDAMCIM-HSZRJFAPSA-N 480.524 4.891 50 40 JJGB O=C(N/N=C1\CCCc2nonc21)c1cc(-c2cccs2)nc2ccc(Br)cc12 9334939 WGHJSOFVSPOBLY-HZHRSRAPSA-N 468.336 4.579 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1OCC 12276177 WNKCJUZDLQXZQV-RXFWQSSRSA-N 480.586 4.526 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1cccc([N+](=O)[O-])c1 34882985 WMWIKFPLTNZWKN-WCIBSUBMSA-N 471.048 4.732 50 40 JJGB Cc1ccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108925216 QAMFGTKUOAHZJP-NTFVMDSBSA-N 477.630 4.570 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc1OC 408540784 BSGUEMRWUIWAEK-CXUHLZMHSA-N 461.255 4.627 50 40 JJGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408566877 IVTAXYANXBITIV-KMKOMSMNSA-N 495.102 4.755 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408758603 NNYREMMATYIISJ-DHRITJCHSA-N 450.292 4.786 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OC(=O)c1ccccc1 2077202 LCBQZJMGZBIJDC-CVKSISIWSA-N 497.345 4.840 50 40 JJGB Cc1ccc(C)c(NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2)c1 2794041 DUGRWLHPKMASPM-UHFFFAOYSA-N 458.381 4.616 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1O 8431233 ISAURCUQWCMMBT-JVWAILMASA-N 456.571 4.761 50 40 JJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)COc2cccc3cccnc23)c1C 9261978 CEBQVJMAEPQPCA-CCVNUDIWSA-N 462.937 4.833 50 40 JJGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccccc2)c(OCC)c1 13881201 DAFAEPGKEINGRT-SFQUDFHCSA-N 460.324 4.776 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 20760849 GCRGNRFDEZGKCR-SRZZPIQSSA-N 468.145 4.549 50 40 JJGB Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccc(Cl)cc4Cl)c(=O)c23)cc1 31783596 KKIMEXJCRMKZOH-WMDMUMDLSA-N 471.369 4.891 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F 33622803 OICYLDVFEDNGGX-MUXKCCDJSA-N 499.926 4.668 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1 48571793 FTSVXKKJQKKVJQ-OGLMXYFKSA-N 453.498 4.516 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O[C@H](C)CC 107979332 LVSILTASTVRPSQ-CIKLGQITSA-N 478.343 4.626 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c1 408742241 QEHCFFBZLWBXGE-WUXMJOGZSA-N 466.129 4.862 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409065876 NXHMXUZGAFLJCW-SAPNQHFASA-N 468.918 4.662 50 40 JJGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)sc(C)c1C 409200965 UFOFXTHDCOITGP-KEBDBYFISA-N 491.569 4.511 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 409250457 MEBJIJOUVFOQRU-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OCC 409323143 NWCJCOWMZCLMOM-QRQIAZFYSA-N 474.513 4.691 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccc(C)cc2)cc1 1813868 DSGPWSYCPWAFMG-OGLMXYFKSA-N 484.629 4.860 50 40 JJGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 9284432 PRPBNVBBCVSILX-CXUHLZMHSA-N 483.874 4.512 50 40 JJGB N#Cc1ccccc1Cn1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21 13286329 GXZRLCOJMLXXEM-WKIKZPBSSA-N 473.330 4.793 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 20207091 TUJCCTYQVUNHDM-OVVQPSECSA-N 487.984 4.832 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccccc3)C(C#N)=C(N)O2)S1(=O)=O 20558673 MQRJEOSEZSYFNU-QHCPKHFHSA-N 455.539 4.522 50 40 JJGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33733458 HNYBQRVKTGBEQR-FMCGGJTJSA-N 499.277 4.608 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1 408754029 PEUUMOAWJIPGQC-QGOAFFKASA-N 452.919 4.962 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408761254 DJFOEDKESXHQFW-MZJWZYIUSA-N 471.391 4.526 50 40 JJGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 408778693 WSLAHPJKLRHAKK-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)O)c2)c(Br)c1 408925366 RNNKUNYPUFPCIQ-NTUHNPAUSA-N 494.139 4.529 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 408980255 QDMUPBKOASTZTP-FXZATJRASA-N 490.516 4.501 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3c4ccccc4cc4ccccc34)CC2=O)cc1 409157932 QPYZZEDAYRCDSO-YJLDXCOUSA-N 451.526 4.895 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@H]1c1ccc(Cl)cc1 409302764 KARIMPZYEGKOGY-AWEZNQCLSA-N 494.773 4.952 50 40 JJGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@H]1c1cccc(Br)c1 409316286 YIQWHAFNUGNPBH-INIZCTEOSA-N 476.783 4.813 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)ccc1OCc1ccccc1 409318920 YTQMMCMKPIODNU-VYYCAZPPSA-N 482.920 4.545 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OC 409327182 QVJLSUXQTWBLFR-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB C[C@@H](C(=O)c1c[nH]c(C(=O)NNc2cccc(Cl)n2)c1)c1ncc(C(F)(F)F)cc1Cl 1400622 FUJPHLOFXONZCA-SECBINFHSA-N 472.254 4.874 50 40 JJGB COc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1 1410486 BVIAZSXSPGPWRR-BRJLIKDPSA-N 452.605 4.895 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc([N+](=O)[O-])c1 1836237 QXIOPBOVEUMOTL-AWQFTUOYSA-N 479.996 4.634 50 40 JJGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1OC 2364489 WTRVPKBUOMUUSA-OAQYLSRUSA-N 498.366 4.747 50 40 JJGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)c1 8812632 VLCGLBHQHKXBFS-ZMOGYAJESA-N 471.307 4.658 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(O)cc3)nnc2-c2ccc(C)cc2)cc1 9380761 AWLONABKJKKNKX-IMRQLAEWSA-N 487.585 4.589 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N 9693478 RPRDOLAKBHVYME-MRXNPFEDSA-N 456.365 4.677 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 15134484 IFMXMCBLGWMOTE-KBKYJPHKSA-N 457.836 4.511 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C 58912784 SXKNELSSEUNLBQ-DHRITJCHSA-N 467.367 4.562 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 107909096 RNFKHAWBLUVJTL-BOPFTXTBSA-N 462.458 4.510 50 40 JJGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 408839376 RICKMPZUOWAWOH-ZDXYVKDXSA-N 464.319 4.571 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 408843223 SATFXFITIFVPAX-JVWAILMASA-N 463.603 4.574 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1I 408903913 BDVSJUSYWMQVKG-AWQFTUOYSA-N 463.102 4.761 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)c2cccc(Cl)c2)cc1OCC 409063223 IXTCTQHBZPKAFZ-UUYOSTAYSA-N 486.737 4.896 50 40 JJGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O 409105139 JHNSVGUJEPXYNQ-DNTJNYDQSA-N 476.552 4.733 50 40 JJGB COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(C)c3OC)c3ccccc3n2)cc1 2759819 UNQPYBAHOFMFIC-LQKURTRISA-N 455.514 5.000 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1cccc(C(=O)O)c1 3971270 CLHBZMDUHMRUAU-VXLYETTFSA-N 480.904 4.832 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 4291103 CFUHTGXWVDQMJY-IKVNRTJKSA-N 465.502 4.581 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1 9910006 MXHPJVXRYATMGA-SRIJWZPRSA-N 471.376 4.747 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(I)cc1 10118583 QAPCCQARWQCPTQ-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 16693393 TVSJBGFEMIRSMB-WPWMEQJKSA-N 487.585 4.584 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 32519918 FGOUQKGCAGZOCO-CVKSISIWSA-N 460.559 4.783 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OCC#N 408762899 CIYHDYHMSNMNMA-BOPFTXTBSA-N 452.308 4.634 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OCC 409314191 FDGKJWLCXSBZDQ-MIXAMLLLSA-N 489.572 4.964 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 409326162 HOCZFRBQMOXBIH-QQXSKIMKSA-N 461.474 4.511 50 40 JJGB Cc1cc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Br)s2)C(C#N)=C(N)O3)n(C)n1 2789728 GHOWYANMUMOEGH-GOSISDBHSA-N 493.390 4.623 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 9234347 KUFVTVBCRVSIHN-XMHGGMMESA-N 459.458 4.737 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)cc1 10118573 OGNKVFOJEYIZRU-ZVHZXABRSA-N 487.341 4.861 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(O)c(Br)cc2Br)cc1 30822049 QJNUNGFBZNAZPC-SKKJWADRSA-N 484.188 4.960 50 40 JJGB Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c3ccccc32)cc1 33717440 NSAPLUGKQCHGMW-MOSHPQCFSA-N 478.508 4.832 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c(Br)cc1OC(C)C 44790549 DUFRTVYKTQQQTP-VIZOYTHASA-N 473.323 4.909 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 408610220 MVUBCXSVFGMLOP-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1C 408691478 ACYSQCOGDOPRBY-MZJWZYIUSA-N 497.393 4.596 50 40 JJGB CCOc1c(I)cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 408744338 XUVLOVUSMAJUMF-MKMNVTDBSA-N 498.324 4.707 50 40 JJGB CC/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(OC)c(OC)c1 408826985 DYARUWACBHJIAT-URGPHPNLSA-N 486.616 4.570 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1F 409021632 RCLIIRNPJOSPTG-UHBFCERESA-N 473.504 4.881 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409231381 CREXTKCKSFEOMJ-ZHZULCJRSA-N 467.363 4.516 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409273557 ZBMWASVQGBGAOC-WWTGGXICSA-N 465.912 4.561 50 40 JJGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2310575 GFCUYHSIKGIQDX-GOTSBHOMSA-N 493.585 4.769 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)c(OC)c1 2338842 MBUYQZVFSPEXDI-QGZVFWFLSA-N 486.391 4.686 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccsc1 8451189 NWDDJXJEFOGXNC-NRFANRHFSA-N 492.626 4.701 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccco2)N1 8659782 WVVWHZCACZYNOL-XMMPIXPASA-N 470.554 4.986 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 11689769 ZCLNRSLAYBJQDW-HNDQUVLASA-N 454.548 4.612 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 13595554 NQWUPCCVWORUHP-SSDVNMTOSA-N 462.687 4.964 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 33568944 HEXQJBBKWVJGED-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 34771322 NFFOROVPEBMXMP-NDENLUEZSA-N 465.465 4.632 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccccc1 58985735 BHOIHIUGHGEFFR-RDRPBHBLSA-N 497.507 4.914 50 40 JJGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl 97982736 QMICIIWECZGGDQ-LGJNPRDNSA-N 450.878 4.945 50 40 JJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1C 408566958 JHWGAVOEPIGXHY-FSJBWODESA-N 456.296 4.927 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)c(Cl)c1 408590691 QGFLQKBVDYBZMP-NSKAYECMSA-N 459.333 4.692 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)cc2c1 409190233 QGZYCZRKWYDTDP-WGARJPEWSA-N 476.489 4.920 50 40 JJGB CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(C)cc3)cccc2[N+](=O)[O-])cc1OCC 409219428 QKTWMCBYWDCHKU-YUMHPJSZSA-N 491.500 4.684 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC 409325572 ZFGDXSIMRRSGLC-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 6134833 RQAQONBVYCYRDY-OSLARZAXSA-N 486.572 4.773 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)c1 8811124 QJDHZCQZDZSTEV-VULFUBBASA-N 454.910 4.709 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 14361324 WCJMUVUCJCALNO-SMEDEIOLSA-N 486.956 4.571 50 40 JJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 16735503 FZJBVCXZTMIVFD-GHRIWEEISA-N 456.889 4.994 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC1CCCC1 36611781 DXAPTOYAHJSEHR-HXUWFJFHSA-N 486.410 4.803 50 40 JJGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087129 RMNFKBJGPPCGDW-YZILGEIOSA-N 482.353 4.793 50 40 JJGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccccc1F 108023021 BGEMQHQQRGTJTR-WZUFQYTHSA-N 455.077 4.878 50 40 JJGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 108996017 RODBFOGXEXGULD-GRRFOWRYSA-N 492.313 4.728 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 408608317 PBFGLDBSLGZVFR-IBGZPJMESA-N 479.964 4.814 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCc1c(Cl)cccc1Cl 408612497 VQIMFLQVNYUHNO-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 408612990 YDTIXPVWIWWITD-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OC(C)C 408676983 OFGLOUYIHWWBQL-ZVHZXABRSA-N 460.372 4.609 50 40 JJGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1I 409187221 NNZPTJAPJKLMCJ-QRVIBDJDSA-N 490.297 4.765 50 40 JJGB CCOc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409208857 CPVWDVRDWCFMBK-UFFVCSGVSA-N 457.777 4.752 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)c1 409266588 QCHBZCCDFRMUSX-WGARJPEWSA-N 496.361 4.548 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 657615 UILZWWODDJMLKU-NDZAJKAJSA-N 492.491 4.645 50 40 JJGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 3066693 FPNPDTIPQXOOAA-LGJNPRDNSA-N 481.892 4.613 50 40 JJGB C/C(=N\NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-])c1ccc2ccccc2c1 8780680 BKVZFSVWWHEHPQ-MFKUBSTISA-N 492.333 4.909 50 40 JJGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1 9215761 MCEHLIBRTSLLFG-CAPFRKAQSA-N 480.524 4.912 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccccc3C)CSC2=C1C#N 9693469 RXHQPUQROLOBNS-MRXNPFEDSA-N 470.392 4.986 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1 12555869 WHSKRMOBSWHMAF-XMHGGMMESA-N 487.468 4.767 50 40 JJGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc(Br)c1 20060520 IPLPKKIVEACKTC-UHFFFAOYSA-N 486.476 4.992 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccco1 20348575 ISCIMAXZODQYEY-QFIPXVFZSA-N 463.559 4.694 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 58925160 OINWGPZSRXJCAV-MTDXEUNCSA-N 497.592 4.659 50 40 JJGB COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 59472815 FQEYNDIVSLTROJ-UHFFFAOYSA-N 485.650 4.907 50 40 JJGB CC[C@@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Oc1ccc([N+](=O)[O-])cc1 100196234 WPCCEFXFLSUION-MZBJOSPHSA-N 475.428 4.621 50 40 JJGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(C)c2ccccc12 408808073 CZPIIUNNHUWCDO-MLEMOKSJSA-N 466.585 4.601 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 408864625 YLLYGZOKSGRUHI-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 408884076 VVECJZINDWASFR-DHRITJCHSA-N 473.470 4.642 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2Cl)cc1 408897072 QKSLYQKRAAWJTA-SFQUDFHCSA-N 476.872 4.812 50 40 JJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)n1 408980824 YBZFYBMTOPGBPK-KEBDBYFISA-N 461.319 4.961 50 40 JJGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409287319 TZOWUWRWPOLGBF-UHFFFAOYSA-N 468.425 4.525 50 40 JJGB NNC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Br)cc2[C@H]1c1ccccc1 835853 NXCCQIIUISVAEO-OAQYLSRUSA-N 469.770 4.576 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 9066461 RISVCXXVZYKIQE-QPJXPZJXSA-N 470.573 4.920 50 40 JJGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1 9381795 GISPUIDGXOPWMZ-HNNXBMFYSA-N 479.027 4.660 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 9425735 KPEXJWKTODLWDR-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 19805038 OEIUCEBIXYUCLP-ZWEKWIFMSA-O 454.550 4.705 50 40 JJGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 58892672 KUHBQYIKYLOYNQ-YYYGAUAXSA-N 477.517 4.536 50 40 JJGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58913515 PQIHTPCMKDQETR-XODNFHPESA-N 472.467 4.519 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 408718665 RHEZJHVTODMQOQ-RHANQZHGSA-N 487.556 4.971 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OC 408755948 NZHVSBLYUWPHGV-WUXMJOGZSA-N 466.129 4.774 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 408792873 BSSXESVTLXZUDQ-LICLKQGHSA-N 487.350 4.644 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)O 408890046 NARDNCYFQHXGBN-RVDMUPIBSA-N 474.385 4.539 50 40 JJGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408911892 KXEWAMIVKXWSJZ-LSHDLFTRSA-N 478.686 4.800 50 40 JJGB COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 408923674 JYPWDWGIHZGRRM-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409130940 IWHGECFEBMIFKZ-DEOSSOPVSA-N 488.975 4.919 50 40 JJGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409204621 BRYMQRASTFDZQF-WSDLNYQXSA-N 460.493 4.513 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1 409264262 QDDKVZYJSULUPG-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1 2096894 KFNVAFXIQUTRGM-ZNUIVASASA-N 488.592 4.958 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CCC3)ccc1O 2205037 KAFVDUXACGKLIV-QHCPKHFHSA-N 495.988 4.855 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 3092509 BRZCLACCUPXCIG-STBIYBPSSA-N 453.498 4.630 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc(C(=O)O)c1 9259504 YIPOMQWGSADYDT-VFLNYLIXSA-N 495.894 4.791 50 40 JJGB N#Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(I)cc2)cc1 10118586 GLIXMZCSJIJJBH-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19948922 YRCOQCOVUJGFER-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1C 20059231 QGLOLRDWXPHQHR-CVKSISIWSA-N 469.994 4.687 50 40 JJGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 20247251 LCGQFVZHLAKQHY-TUIZQPODSA-N 474.542 4.523 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)NC12CC3CC(CC(C3)C1)C2 20615354 KIRDIZZQSMTQNQ-ZVBGSRNCSA-N 471.193 4.519 50 40 JJGB C[C@H]1CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cccc1c32 22716135 IQEVPKFCSDMSDM-OFJJUDJNSA-N 479.536 4.722 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)cc2)cc1 28213784 YAOSVWDVRRRZSA-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1C 33160895 CEBQVJMAEPQPCA-MUXKCCDJSA-N 462.937 4.833 50 40 JJGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080557 BCEJEXOFRLNFHW-AMQQTOMOSA-N 488.632 4.856 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1 408543697 QFPIGILKBBGPMR-BKUYFWCQSA-N 457.486 4.515 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 408755199 QCYOHRDNPOIKKF-QGOAFFKASA-N 461.905 4.912 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 409243824 UUKSDCGSSZGAAM-ZMFRSBBQSA-N 459.290 4.999 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)o1 409390384 FDQLFFMGDUNAKW-BRJLIKDPSA-N 480.318 4.596 50 40 JJGB Cc1sc2ncn(CC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c(=O)c2c1-c1ccccc1 1783928 HTAYWCDCSOEJNL-NSKAYECMSA-N 471.369 4.891 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 10315719 JCTZEXLXCPJTBM-MFKUBSTISA-N 454.368 4.948 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cc(OC)cc(OC)c3)ccc21 14922284 BUZRBCPKIZSOJO-STBIYBPSSA-N 472.545 4.966 50 40 JJGB Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 58887450 FFZKTZDTZFHJMQ-BHSKHCGUSA-N 454.368 4.821 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(OC)cc1 108138811 ONLGIRRITTYANK-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1ccccc1Cl 408604370 IJDXOCSTADOKNB-KRWDZBQOSA-N 483.927 4.563 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 408754289 PXGHDIOEHZVTEQ-RPUKTSEFSA-N 479.602 4.631 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 408765589 WLFPJJFORQXVNS-AFUMVMLFSA-N 466.335 4.539 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1O 408795234 LRPMNUQRAKMYAC-OVCLIPMQSA-N 462.287 4.558 50 40 JJGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1cccn1-c1ccccc1 408846417 NHETXSACUXFRAP-UUYOSTAYSA-N 477.156 4.531 50 40 JJGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cc1 409223596 GJYJORSQJWPHJB-YUMHPJSZSA-N 488.500 4.563 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C 409391785 LHFHXUUEIFTGLJ-OCSSWDANSA-N 468.557 4.986 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)ccc1Cl 8812637 WPMLFUORWQUPEQ-BHGWPJFGSA-N 491.725 4.922 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1C 9467636 MKGIZQHWNWEYLF-WSDLNYQXSA-N 487.560 4.535 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(I)cc3)cc2)cc1 10476104 VNJROOGJCJDHCX-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(I)cc1 12363924 UUCAROUZNDNAIQ-WSDLNYQXSA-N 492.338 4.704 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1 19953353 UYYMQWGSVXWNFW-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 34895897 XPWAKULEOWEOKK-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 408603157 FRAGXBABTYYIHB-LJQANCHMSA-N 479.964 4.814 50 40 JJGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)OCc1ccccc1 408737035 LCCDNJUKRAJWBU-PKEXHZLISA-N 474.948 4.809 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C)cc2C)cc1 408790387 POTKKWWXKZTDKQ-CVKSISIWSA-N 469.994 4.611 50 40 JJGB Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)C(F)(F)F 408958212 XVRANVGDMHETNF-OVVQPSECSA-N 487.265 4.655 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 409268502 USFSPGBHXPXFPA-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 9057332 MTAFMBFXBVXARQ-WUXMJOGZSA-N 495.127 4.983 50 40 JJGB CC1(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)OCCO1 9096136 PGHJHKFIZWYEQW-CVKSISIWSA-N 483.362 4.785 50 40 JJGB Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 9822975 SODAIAINHWKVDB-UHFFFAOYSA-N 489.503 4.663 50 40 JJGB COc1ccccc1/C=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20059428 CIVNDCBAQAWOPG-ZTKZIYFRSA-N 499.592 4.855 50 40 JJGB COc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1 20214345 RBXVTPSOQTYSBQ-SGWCAAJKSA-N 493.629 4.751 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558616 QNOGIGHHNQPSHU-HSZRJFAPSA-N 455.539 4.522 50 40 JJGB Cc1ccccc1CSc1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 27991283 HFIQWHWVOPQCBI-UHFFFAOYSA-N 491.798 4.568 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 108932151 XTDMMMPLFIBIKE-WKIKZPBSSA-N 469.900 4.578 50 40 JJGB Cc1cc2c(cc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C(C)C 223595733 WOGAZQGBJPZGDY-SJJYNHATSA-N 452.555 4.933 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1 408534526 VXAPNKAANQICEU-AMVVHIIESA-N 486.494 4.852 50 40 JJGB N#C/C(=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408757341 YRSNHGDTOPGYQP-VBKFSLOCSA-N 483.889 4.562 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408761315 DNPBWDUPSFLGJK-DHRITJCHSA-N 465.918 4.943 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1C#N 408820845 ZMMJIOLWUNWJPT-OYKKKHCWSA-N 467.525 4.768 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(Cl)cc2)cc1 408925838 QWQLOAMUWSMLRR-UHFFFAOYSA-N 478.014 4.760 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1O 408985351 WOJDZSGSVYGJIL-WUXMJOGZSA-N 468.678 4.513 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(C)c2C)cc1 409026452 PNJGLVFSILDHHO-CVKSISIWSA-N 469.994 4.611 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409325639 ZBPGLXJRIOVFPH-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409364796 PJXBTWWFHBEBCM-RWPZCVJISA-N 459.933 4.807 50 40 JJGB N#CC(C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)=C1Nc2ccccc2N1 3416470 RLDMYPDQSFBCEJ-UHFFFAOYSA-N 479.471 4.677 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 8973374 CCVFNKAQBIVTEY-SFHVURJKSA-N 486.391 4.558 50 40 JJGB C/C(=N\NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1ccc(Br)cc1 13809717 JSWXMSVUDXGLEZ-NLRVBDNBSA-N 451.364 4.842 50 40 JJGB N#CC1=C(N)OC2=C([C@H]1c1ccccc1Cl)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558267 LPHUWQQYQYPMLA-QFIPXVFZSA-N 475.957 4.866 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 20760518 PCZYQSSMPDQRQY-FSJBWODESA-N 471.311 4.537 50 40 JJGB CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)cc12 33351086 UFTPDDPXKRJJGA-LQNQUEJISA-N 499.567 4.772 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 59101817 QIYZSQCXWNKGAZ-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 107924664 QOVKDQQSFHMKKZ-RWPZCVJISA-N 451.482 4.827 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408743627 HJACIVKTIHHWCX-AUWJEWJLSA-N 463.715 4.508 50 40 JJGB O=C(Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21)Nc1ccccc1 408967723 XFDZDCHENGTNHJ-MZJWZYIUSA-N 481.468 4.698 50 40 JJGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 408977421 DGEPKHCCPYCDKH-FOBKEZNCSA-N 481.508 4.656 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409117225 XBHTYFRUENXKJF-CVKSISIWSA-N 469.994 4.611 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1 409187143 MRZLIWGPQJFRIJ-ZVHZXABRSA-N 452.536 4.643 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409225375 PPMYFOMOUOJVLC-KGENOOAVSA-N 455.514 4.875 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 409234120 MAENEIJFYPEBMH-QLTNSANVSA-N 457.486 4.967 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 409260648 TZOMHYRBDNDHEW-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OCc1ccccc1Cl 409391231 ICPSXUSDQOPJFI-VULFUBBASA-N 454.910 4.796 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(Cl)cc1 2309092 MPMCFZIKQGKQRH-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476036 DDJRHDNKUJDALX-BUVRLJJBSA-N 461.356 4.504 50 40 JJGB CC(C)c1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 58918180 SPAANKVKEVMRFR-JFLMPSFJSA-N 487.984 4.948 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 408757781 BYNQZNNRQMPQEL-NBVRZTHBSA-N 457.442 4.758 50 40 JJGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC 408883701 WDCDFVPXYUJOEV-WUXMJOGZSA-N 468.678 4.507 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OS(=O)(=O)c2ccc(C)cc2)cc1 408887002 KVAHMYDOLHASAL-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1ccc(Cl)cc1Cl 408965667 WZNIEWPBKFKWIA-YHYXMXQVSA-N 459.070 4.849 50 40 JJGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409362354 JCZUIJBBMFXKJS-RWPZCVJISA-N 459.933 4.807 50 40 JJGB C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c1cccc3[C@](C)(c1ccccc1)CC2(C)C 2331022 IUVBMXOKIJIXAJ-DATIXGNFSA-N 479.580 4.736 50 40 JJGB N#C/C(=C\c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 9075450 PUAPUMPASCOCJD-HIXSDJFHSA-N 495.627 4.509 50 40 JJGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 9633787 HLNSKEJQGPGVCV-LERPTODRSA-N 465.859 4.902 50 40 JJGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 12960950 HDXVSVIKIUIEJJ-NTEUORMPSA-N 464.890 4.608 50 40 JJGB C/C(=N\NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2 16157831 BMPBGXIGDBBNQS-QOFGFAKUSA-N 481.552 4.605 50 40 JJGB CC(C)(C)c1ccc(/C=N/NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 16323051 IODSNZKTFZJZKL-FUMWUCPYSA-N 470.529 4.814 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cccc(Br)c1 27563287 CBTHYJUEEHHKAT-UDWIEESQSA-N 491.341 4.900 50 40 JJGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(C)cc2)cc1 34695380 YKEGGKFVCAAHRG-UYRXBGFRSA-N 457.442 4.677 50 40 JJGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)C1 103860438 JFBBJPXITIABBU-YNCAEIPJSA-N 464.997 4.679 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1 408888069 WJQVMRSRJKFUOH-DHRITJCHSA-N 457.299 4.940 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12 408906731 DKLPIYIZYLPDRD-ULPGGUMISA-N 482.584 4.806 50 40 JJGB Cc1ccc(COc2ccccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 408910667 LEUCPQVEPMTXMB-TWKHWXDSSA-N 450.538 4.960 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OS(=O)(=O)c1ccc(OC)cc1 408926148 VMKFPOAOKAYRCH-NBVRZTHBSA-N 496.516 4.546 50 40 JJGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1Cl 409021083 XRIYOKSXGRBZHW-JYQBEENSSA-N 472.710 4.591 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)n1 726195 PLTXBVOBOWRFRU-FOKLQQMPSA-N 472.412 4.506 50 40 JJGB COc1ccc(-c2n[nH]c3c2[C@H](c2cc(Cl)cc(Cl)c2OC)C(C#N)=C(N)O3)cc1OC 970207 QBESGNYLYZLINL-QGZVFWFLSA-N 473.316 4.627 50 40 JJGB Cc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)o1 8454808 HUQDYOSXSWDHQF-VNYNQKCPSA-N 470.185 4.777 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccccc2)cc1 16712448 ILNSIZDPNAVRAN-CVKSISIWSA-N 477.977 4.839 50 40 JJGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 26962616 BHDYGKXZMUAJLZ-YNJLWJOVSA-N 478.552 4.783 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1 30743244 WHFCPZYSBHJMSX-FBHDLOMBSA-N 465.025 4.735 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 58913163 ZLUCMLXCNWQRFW-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(/CNC(=O)c2ccco2)c2ccccc2)C1 97962663 RLCMIMBQWNYVEX-YBCNKQBESA-N 494.636 4.519 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N 107616391 AYLAQAAPFVHBAF-MBTHVWNTSA-N 492.919 4.790 50 40 JJGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408796562 PGKAUYNMZKUFGV-OQLLNIDSSA-N 472.295 4.866 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408883721 UMBBYNQMZZOSHK-SFQUDFHCSA-N 497.916 4.870 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 409008521 XJZCGACXAQRZPI-STZFKDTASA-N 485.540 4.884 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C(F)(F)F)c2)cc1 409219749 PUEFFHRVQYKLKM-WKIKZPBSSA-N 487.390 4.605 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 409251725 QJOPUAQQAHLUDP-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409257270 RVARBMLEXBDQJU-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OCC 409312858 NXRJHXMLYIPERE-QQXSKIMKSA-N 463.490 4.735 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccc(Cl)cc2)cc1 1288509 NAEPKCJMSRKFBK-ZMOGYAJESA-N 451.939 4.732 50 40 JJGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(OC)c1OC 2314345 UVRAZDREJLUWDD-MZJWZYIUSA-N 482.920 4.657 50 40 JJGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c(OC)c1 3308727 QTDFHFVSTVTJTI-VGOFMYFVSA-N 487.169 4.567 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 3350162 VUTYJELQXIDTOA-ZVHZXABRSA-N 462.358 4.582 50 40 JJGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OCC)cc2)cc1 8402351 AHHBFTIUDDHECY-DIOFJSMUSA-N 471.557 4.795 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1nn(Cc2ccc(Cl)cc2)cc1Br 8780738 ZMNIBTQGCRKVIE-LSFURLLWSA-N 496.590 4.874 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)c(Br)c1O 16194691 MNGMCYJHMWJUKC-POHAHGRESA-N 470.092 4.611 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2Cl)c(C)c1 35147629 MEJFCUNCLHVRHT-QRQIAZFYSA-N 498.048 4.649 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59399128 SQLLOCCSBGYTOP-FSJBWODESA-N 470.825 4.721 50 40 JJGB O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@@H]3C=C[C@@H]([C@@H]4[C@@H](Br)[C@@H](Br)[C@@H]43)[C@@]12Cl 104129584 YPOSEOALJLAJOD-XOIOOPPPSA-N 481.826 4.802 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408541044 AZYPIMSEPQCHIF-LGMDPLHJSA-N 455.470 4.925 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OC 408566731 IPDZBUKYUDBTGI-ZVHZXABRSA-N 494.373 4.689 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 408746298 ROVYLYODNIDNFZ-WJDWOHSUSA-N 490.428 4.858 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408871763 XCYFLJOGEDLJIZ-WGOQTCKBSA-N 481.643 4.679 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccccc1 408966972 OMCHVRHVUKJAMB-UVHMKAGCSA-N 482.309 4.811 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3C#N)cc2)C2=C1CC(C)(C)CC2=O 409124048 IVWATKNMCVQKPS-AREMUKBSSA-N 482.584 4.520 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br 409326264 JDOZWHMQPPNUFC-JJFYIABZSA-N 498.171 4.558 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(OC)c1OC 2247361 SAVRRISSMPTKQV-HSZRJFAPSA-N 480.524 4.783 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1C 3082204 KNLJLYBGOXBYRZ-RWPZCVJISA-N 489.519 4.668 50 40 JJGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)COc1ccc(C)cc1Br 12464113 QPHTZUPLNNFIAG-WGOQTCKBSA-N 472.383 4.536 50 40 JJGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)c1C 13777035 KZMXMZHAYKMLFB-HMMYKYKNSA-N 456.546 4.768 50 40 JJGB COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C#N 15018617 CJZSGWBYHPAFJT-KKMKTNMSSA-N 482.009 4.711 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 19948805 BPVSNZMYNLDKJV-VULFUBBASA-N 490.412 4.956 50 40 JJGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)CCCC(=O)O)c1 20158589 PEHSQLDPNMYGCQ-DHRITJCHSA-N 457.939 4.902 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1Oc1nc(Cl)ncc1F 33344839 SQAYPZZJIZUCBW-OPVMPGTRSA-N 479.693 4.596 50 40 JJGB O=C(N/N=C\c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 33368816 QDKAYUGBNINNSD-MYKKPKGFSA-N 458.459 4.527 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)N=C3CCCC(O)=C32)ccc1O 102566117 NODFNFRHEORPCU-QHCPKHFHSA-N 467.591 4.852 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1)Nc1ccc(F)cc1 107819279 QWTKUBGLZFNZOG-LGJNPRDNSA-N 492.488 4.730 50 40 JJGB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C)c(SC#N)cc2C)C1=O 408534370 QSNQWZPTWCELAO-MHWRWJLKSA-N 499.390 4.780 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)OC)c(Br)c2)cc1 408745127 PPEPZAPPSABUHQ-ZSOIEALJSA-N 493.741 4.599 50 40 JJGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc(I)c1 408850520 BIIKNLGPFWNUGJ-CIAFOILYSA-N 494.130 4.608 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 408868625 ALBNGEFSRAREKF-BCHBDCPOSA-N 472.328 4.863 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccccc1 408889705 FYPMZSFZLDMUOH-AFUMVMLFSA-N 493.368 4.924 50 40 JJGB COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(SC#N)c1O 409048116 RPIUSHHNNTUPHK-UHFFFAOYSA-N 452.576 4.947 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2)c(C)c1 409145955 QWOILKKDBQMGEE-JFLMPSFJSA-N 484.021 4.606 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccccc2C#N)c(Cl)c1)OCO3 664002 MAECGJIVXDYTAM-XMMPIXPASA-N 457.873 4.738 50 40 JJGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 1478428 YOOPZZGZPSQVNE-CCVNUDIWSA-N 487.972 4.763 50 40 JJGB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 1735420 KEPIXIJWOXQSST-RUZDIDTESA-N 460.426 4.973 50 40 JJGB CCCC[C@@H](Br)C(=O)Nc1c(C(=O)OCC)[nH]c2ccc(Br)cc12 2373418 QQUTWBKAWUMXEI-GFCCVEGCSA-N 460.166 4.999 50 40 JJGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)cc1 12658488 PKUXJDPUZKSMNH-RDRPBHBLSA-N 489.572 4.671 50 40 JJGB CCOc1cc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)ccc1OCc1ccccn1 24745622 RXJCLFPKTIMVIU-UHFFFAOYSA-N 497.979 4.641 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408883950 SIKPOCAMIGRYLH-CPNJWEJPSA-N 477.498 4.525 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 408989364 HOWJKWAMAUJBJN-KPKJPENVSA-N 456.461 4.734 50 40 JJGB C[C@@H](C(=O)NN=C1CCCCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026554 SCEYTYMZCYVCDM-IBGZPJMESA-N 457.596 4.850 50 40 JJGB N#Cc1ccc(COc2ccc(Cl)cc2/C=N\NC(=O)COc2ccc(Cl)cc2)cc1 409147224 WZRULXQAOVPWNS-WKIKZPBSSA-N 454.313 4.973 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 409160887 JZEFBIZYKKRVDY-JFLMPSFJSA-N 478.346 4.601 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)cc2c1 409187166 MYVDSEDXHONKKS-DICXZTSXSA-N 459.502 4.790 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2)cc1 409218007 CBLVITMAZNBZHR-WGARJPEWSA-N 494.891 4.580 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 409225097 OVFYKSUWFHGLCJ-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OC 409319329 DPCLPFVFPJMWFQ-WGARJPEWSA-N 499.361 4.818 50 40 JJGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc(C(C)(C)C)c1O 2797329 HYVIAPCHSKXOAC-JFLMPSFJSA-N 454.567 4.534 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1 6146234 SLSGZDVMBVYGRP-AFUMVMLFSA-N 492.384 4.957 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 20060016 LITZQZDVWLIPJX-CVKSISIWSA-N 469.994 4.611 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc2ccccc12 408604457 JJMFVJHGADPRLN-QHCPKHFHSA-N 452.539 4.925 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc(C)c1 408765771 ZSRSBGBNZJREOP-JFLMPSFJSA-N 489.553 4.997 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 408862371 FKZIIACISIXUNQ-WPWMEQJKSA-N 463.603 4.520 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)ccc1OC 409328098 YZXMGVDAXFUYEO-DICXZTSXSA-N 481.936 4.529 50 40 JJGB C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1468745 KNPXHNRTWJFSLX-ONUIUJJFSA-N 455.474 4.718 50 40 JJGB O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1ccccc1 3150999 DHGBQUUWSGDOME-DNTJNYDQSA-N 489.993 4.536 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)c(Cl)c1 408607714 ULKFJZJOPWJFBS-NRFANRHFSA-N 480.977 4.824 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I 408746085 XEHIPUIMAXBEDS-QPEQYQDCSA-N 497.130 4.916 50 40 JJGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1ccc(Br)cc1 409217720 AKOMPFBZXZOGID-MSXFZWOLSA-N 473.710 4.791 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409250418 LJAIEYCMCFVTAH-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409264957 NAURTYFRIJHIPV-WWTGGXICSA-N 465.912 4.561 50 40 JJGB Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3cccs3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 8965065 BHXMOTNEFAUELG-HXUWFJFHSA-N 480.615 4.746 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203585 CUIAYDJGHKPNRL-CVKSISIWSA-N 482.378 4.726 50 40 JJGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333445 RGWHOZLOERDQRI-NMWGTECJSA-N 489.579 4.536 50 40 JJGB CC[C@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Oc1ccc([N+](=O)[O-])cc1 100196231 WPCCEFXFLSUION-BYXVTNLJSA-N 475.428 4.621 50 40 JJGB Cc1ccc([C@@H]2[C@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 100692345 FUYVXXGYSZYRLE-RJGXRXQPSA-N 485.923 4.652 50 40 JJGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1cc(Cl)ccc1O 101535437 IJNKMPDTQRFMPF-JVWAILMASA-N 451.910 4.759 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 216044213 BELVAAXYZLYKLS-YUMHPJSZSA-N 461.518 4.882 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC#N 408796407 OUZRNKSYXKMHEA-NTEUORMPSA-N 460.715 4.949 50 40 JJGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 408969042 GENCNPCFXIXADI-ULPGGUMISA-N 487.600 4.634 50 40 JJGB N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(=O)NCc1ccco1 408992015 PZBNTAFWNFFGPT-XYOKQWHBSA-N 452.473 4.765 50 40 JJGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(I)c(O)c1 408993785 FTGLUQKLLVCOOP-RGVLZGJSSA-N 464.284 4.505 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1 408998959 VMZKUFVZEOCSPF-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(C)C)cc3)cc2)cc1 409130244 GUZVSAKLTCTTNS-WPWMEQJKSA-N 479.602 4.619 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Cl 409186582 FAVDONFLRIHING-GATIEOLUSA-N 479.316 4.844 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)O 409209144 GHSYEIDSTYWNMA-RHANQZHGSA-N 467.525 4.988 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1 409215576 BMJYFEXZBBJWNN-VULFUBBASA-N 483.977 4.609 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1C 409269033 DDHWTKIOSHUUQR-NDENLUEZSA-N 470.485 4.775 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OCC 409304127 QDDUSDOTMUPVQD-MIXAMLLLSA-N 489.572 4.964 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 2301346 LNMVNTJTKJKWIQ-XQNSMLJCSA-N 494.551 4.618 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1O 9428444 QWXOYHZRGPCAJQ-MTJSOVHGSA-N 465.025 4.822 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 12467140 ABUKZRRTEZITBR-BYFQLNLQSA-N 499.552 4.510 50 40 JJGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 12641838 SAJXYSZCOBQYOS-WEPIWUHDSA-N 461.484 4.638 50 40 JJGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 16249950 UXIYUKLPHCEQME-JFLMPSFJSA-N 479.989 4.871 50 40 JJGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100843791 QUEIKVQKBUGMGE-GXDHUFHOSA-N 493.342 4.754 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408606985 BIPBXELQKAGGRN-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB COc1cc(OC)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408847077 OZTOAHJCVRGFHR-NKVSQWTQSA-N 482.128 4.739 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 409196601 WQZQKKMUNVEIPH-VULFUBBASA-N 452.894 4.780 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 409251781 WECSAXKFOZFMDP-HAHDFKILSA-N 471.513 4.838 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1OC 409315007 UPKMWMHYTAPVKY-NTFVMDSBSA-N 492.528 4.534 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OCC 409336376 RWIVTTOOFAMRMK-MIXAMLLLSA-N 489.572 4.964 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)c(OC)c1 1477917 RAOKZBXIVJBUGX-BHGWPJFGSA-N 494.404 4.531 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 2224655 BPKWKBKXUKDIBC-IPPBACCNSA-N 496.514 4.955 50 40 JJGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)N=C(O)[C@@H]2C(=O)OC)cc1 9088365 HCPKACSRFAFNHI-FGZHOGPDSA-N 493.585 4.652 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 10315720 LLCMLVQRCPMDHZ-MFKUBSTISA-N 454.368 4.948 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1 20348492 MTRXQFSEPMWQFF-XMMPIXPASA-N 459.571 4.792 50 40 JJGB CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 59444611 NRVBSGWXLZOPBF-UHFFFAOYSA-N 494.455 4.712 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 100537166 QPJHKTPUNHSZEP-IBGZPJMESA-N 487.006 4.594 50 40 JJGB COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC(=O)c1ccc(C)cc1 408900076 SOTQKYMKXIBZNL-AJBULDERSA-N 494.547 4.609 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c(C)c1 408907329 MCXIKUFZJGNSGZ-UXHLAJHPSA-N 471.557 4.936 50 40 JJGB C[C@@H](C(=O)N/N=C/c1cccc2ccccc12)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409029330 ZHLNELJFXWMMBX-GBZINIMXSA-N 487.581 4.937 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409312725 LYPOAKPCARPWEP-KRWDZBQOSA-N 455.967 4.758 50 40 JJGB CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2 9160686 IGMVZWNGXVGMQQ-DEOSSOPVSA-N 480.355 4.588 50 40 JJGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(Cl)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12 20558206 DLIIUKOUAQXOPB-JOCHJYFZSA-N 475.957 4.866 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 408758802 RJJAKYGQRROAOE-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408892515 CCBNVKXZCFBFEF-YDZHTSKRSA-N 493.766 4.634 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCC(=O)O 408981834 CVKWFDYMJGJONG-VGOFMYFVSA-N 493.741 4.819 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409135363 YTNHIKJHUBVUHP-QFIPXVFZSA-N 494.301 4.860 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OC)c2)cc1OC 409313300 OAFUSPONVJPHSC-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409314630 GGHHHWWBACUFMV-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(O)c(Br)c3Br)[nH]c2c1 409393723 ZJWWPIWGIQJRJL-YHYXMXQVSA-N 479.128 4.875 50 40 JJGB O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(I)cc1 684904 BKGSNXSVLNWLED-UHFFFAOYSA-N 493.304 4.581 50 40 JJGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 2414887 IYKSHADMGJPLKU-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OCC)cc4)c32)cc1OCC 9282131 FSZLISOZPLCTEO-QFIPXVFZSA-N 460.534 4.881 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O 16735857 SAZIDDICHJUVFI-JQIJEIRASA-N 472.888 4.694 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 19949165 ONNBNRMCMIDCLU-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 20175450 NSNXOZXCLHBJAO-UFFVCSGVSA-N 480.409 4.709 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1)S(=O)(=O)c1ccccc1 20232826 KZMUYRSLQAKWGO-MTDXEUNCSA-N 469.566 4.527 50 40 JJGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 39400749 VMIXYCMASOQFPB-QAYGKXGKSA-N 456.329 4.720 50 40 JJGB N#C/C(=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 59087131 CRWBQDNKMFELMG-DQYQWZCESA-N 463.965 4.966 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 408604253 HWLKXUYTYGROAR-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408608985 IRWXTZQFRRBTFG-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408788185 IWNVNETYGYWZPX-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB CCOc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408862313 GTDNJYGBYAPFSU-UHFFFAOYSA-N 471.623 4.806 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2)cc1 409330574 BDJPDSNFYVSAIX-LJQANCHMSA-N 453.589 4.518 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)cc1 409390127 BRSGGNUKAFRDJB-OCSSWDANSA-N 468.557 4.986 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2-c2ccccc2)cc1 3295892 UUEYPWBXSYMERC-UHFFFAOYSA-N 480.553 4.877 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N/NC(=O)COc1ccc(C)cc1Br 8386554 HRWPPWCYRUOSQD-OYKKKHCWSA-N 466.763 4.619 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCCOc1ccc(C)c(C)c1 8952436 MFWRSABSAZPVGD-LFVJCYFKSA-N 456.542 4.993 50 40 JJGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 20059527 AETOMNQBINCZKR-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CCCCOc1ccc(/C=N\NC(=O)c2ccccc2NS(=O)(=O)c2ccc(OCC)cc2)cc1 33794063 LXVASRNAAYXHTH-DIBXZPPDSA-N 495.601 4.829 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(I)c1 59435325 AMWUEIJSAMUEOS-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 205119665 UVHKHXDPTLEMGP-UHFFFAOYSA-N 494.916 4.790 50 40 JJGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O 408653376 PQWTUDUJMFNHAB-KRWDZBQOSA-N 485.726 4.519 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(O)(c1ccccc1)c1ccccc1 408748465 AOPWBRFWRMOVQH-YUMHPJSZSA-N 475.888 4.894 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408796304 NPCAIADCXFDPCE-OQLLNIDSSA-N 463.317 4.880 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1C 408881855 OAHLZBASSDWIMM-CVKSISIWSA-N 469.994 4.611 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904121 FBPNMMIXKQJCCA-CFRMEGHHSA-N 460.402 4.592 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(=O)Nc1ccccc1 408968692 BHAACWFPKSQPPC-LQKURTRISA-N 487.512 4.622 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 1824549 SOPORDSRDYSOFB-AFUMVMLFSA-N 492.948 4.738 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1sc2ccccc2c1O 2277752 IXBGDXFIHRVRFY-FBCYGCLPSA-N 470.142 4.601 50 40 JJGB CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 4290281 HXFVIKIMEASKOQ-RMFULTEWSA-N 479.529 4.972 50 40 JJGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9665806 KHJKXLCEUZVFJM-LGJNPRDNSA-N 451.313 4.516 50 40 JJGB CCCn1nc(C)c2c(C(=O)N/N=C(\C)c3ccc(OC(F)F)cc3)cc(-c3cnn(C)c3C)nc21 22754809 BELOJQYCKXZAAD-AMVVHIIESA-N 495.534 4.614 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 33792945 LHHOXRISJWAWRE-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2cccc(Br)c2)[C@@H]3CCC1 33923004 UKEZAPNEYDLMIN-RMWBRQFISA-N 465.395 4.556 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58914211 MVFREPLZNWOZIT-VYYCAZPPSA-N 457.361 4.558 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(F)cc1 59101709 XXWIMBDRMJBGRR-RWPZCVJISA-N 463.509 4.509 50 40 JJGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1cccc(Br)c1 59459328 YOSSVJIEIJOWRQ-SSDVNMTOSA-N 466.173 4.620 50 40 JJGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc([N+](=O)[O-])cc1 108076755 SESULXBFFIRVRH-FMCGGJTJSA-N 463.475 4.889 50 40 JJGB Cn1c(SCCCCl)nnc1-c1cc(Br)cc(I)c1 228976106 BVMAOPSJDKZWJR-UHFFFAOYSA-N 472.577 4.570 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 408790999 SHNBMYQSDPOYLP-OEAKJJBVSA-N 481.508 4.868 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(OC)c1 408877007 SOBFNFQYFAEBHW-OQLLNIDSSA-N 467.865 4.749 50 40 JJGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)cc1 408953447 PPVKQOVUXCDIDX-ZMOGYAJESA-N 468.307 4.767 50 40 JJGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1ccc(Br)cc1Br 408960053 IPGOPRLPMZUITE-FMCGGJTJSA-N 495.215 4.649 50 40 JJGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409251986 AXVQMCQCOBIKNT-BOPFTXTBSA-N 476.876 4.811 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 409252979 FQJHIQMYFOWXML-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 409321834 JVKFMCKOMOCTMP-MRXNPFEDSA-N 474.355 4.607 50 40 JJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3I)c2C)n1 409369360 BLVJQFRYLZNBOV-WOJGMQOQSA-N 470.314 4.759 50 40 JJGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C 648383 VCUKPBDLGCOFDV-JOCHJYFZSA-N 483.362 4.900 50 40 JJGB CCOc1cc(NC(=O)c2ccc(Br)cc2)c(OCC)cc1NC(=O)CCl 1324570 AZAPGLQUVFNKIN-UHFFFAOYSA-N 455.736 4.676 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 2708537 ZCLNRSLAYBJQDW-DSQDWWTGSA-N 454.548 4.612 50 40 JJGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(Br)s1 33701457 TXKZKFGIJXMYAE-FMQZQXMHSA-N 497.006 4.565 50 40 JJGB CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 59435866 YTTTVPIYYXWRLF-UHFFFAOYSA-N 450.004 4.603 50 40 JJGB CC(C)(C)NC[C@H](COc1ccc([N+](=O)[O-])cc1)OP(c1ccccc1)c1ccccc1 73369205 NGXPFFKGKLJUKJ-JOCHJYFZSA-N 452.491 4.795 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 408613269 YOHJTIJLYDQLAP-JVWAILMASA-N 463.921 4.573 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408793123 DDSGMNBMPKAKHF-VGOFMYFVSA-N 493.741 4.599 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408796797 PZKRQJHTVLLPDS-WOJGMQOQSA-N 493.313 4.978 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1 409007883 RFJWPZSRQIKSOQ-QFEZKATASA-N 466.335 4.539 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Br 20195424 STMHMFDROJOUPZ-UFFVCSGVSA-N 454.162 4.530 50 40 JJGB Cc1sc2nc(/C(C#N)=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)nc(O)c2c1C 35239803 BJTZJLGGJMDONE-ZSOIEALJSA-N 464.532 4.871 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OC 408691951 ZQLOWFBJZQAZDE-NVNXTCNLSA-N 459.287 4.655 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1 408743602 HBSUDOIKNXGXEH-ZROIWOOFSA-N 460.715 4.949 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408747912 VQTWHZFUWIHKAA-ZROIWOOFSA-N 490.151 4.778 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408778006 OAMWRAIBSXXJSS-ZROIWOOFSA-N 478.261 4.549 50 40 JJGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408976297 QMZBBXHYBLVWDD-YSURURNPSA-N 475.723 4.711 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 409007707 ZBBSAJOOHGXKAH-RDRPBHBLSA-N 475.976 4.922 50 40 JJGB Cc1cccc(-n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)c(C)c(C#N)c2=O)c1 409061249 YKTLOAMTYXEVRX-LJUMEUDFSA-N 471.520 4.791 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(OC)c3OCc3cccc(C(=O)O)c3)cc2c1 409185270 VHVJYPTVTSIKST-MBTHVWNTSA-N 488.496 4.881 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OCC 409317052 NSLDVTDLMMFOKD-IMRQLAEWSA-N 496.585 4.714 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccccc1 661025 FQLDWUMCBYVYFB-NRFANRHFSA-N 481.350 4.677 50 40 JJGB O=C(NNc1ccnc2cc(Cl)ccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 1636812 DVKNXIXAETYDAF-WSDLNYQXSA-N 486.915 4.531 50 40 JJGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C=C/c1ccco1 1760276 UTQLNGPYTCPERD-CRVPNBAOSA-N 450.998 4.984 50 40 JJGB COc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cc1NC(C)=O 12604703 UXZWOBGQGDWKOX-INIZCTEOSA-N 468.906 4.674 50 40 JJGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C(=O)Nc1ccccc1I 13882134 AIOXXLFDONWDQN-YFPIGWSASA-N 475.330 4.559 50 40 JJGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 27499992 VFJKWVDUWZOBON-KKMKTNMSSA-N 499.333 4.515 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 408606899 MOCUUVNWTIASKY-HXUWFJFHSA-N 463.965 4.978 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)NNc3cc(Br)ccc3OCc3ccccc3)CC2=O)cc1 408611786 WNFAQICZHVAXDT-IBGZPJMESA-N 494.389 4.833 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC 408677820 VBRCAWGIOSXWMV-BUVRLJJBSA-N 460.372 4.611 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC 408724347 BXEOTZDDZLYOEH-DHDCSXOGSA-N 462.287 4.553 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OCc1ccccc1 408748216 AGUDPPJSSFQRQA-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408762608 PRAVWZGNYPNLNV-MZJWZYIUSA-N 471.391 4.526 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC 408820217 UQVNQQJGYZVMIY-OQLLNIDSSA-N 459.727 4.977 50 40 JJGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC 408891189 MSKMGNGABUCSHW-KPKJPENVSA-N 468.678 4.507 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408891377 PQEIGSVBRSZNAR-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)o1 409155327 QPVHMMSHGRYEJB-XFBJJFJZSA-N 482.924 4.721 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409215943 CHADOVKMFOJMRM-RIYZIHGNSA-N 450.232 4.671 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OCC 409313213 NKQGZPAAJXYUFW-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2-c2ccc(Cl)cc2)cc1 2353378 IFLACWYKIOILRW-LGJNPRDNSA-N 493.976 4.550 50 40 JJGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(I)c2)cc1 2771379 QWSPKLVEHYWIPX-IKMPRTQCSA-N 450.320 4.724 50 40 JJGB O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1C(F)(F)F 3369886 UFEVTQMRQWOFKA-UHFFFAOYSA-N 450.420 4.633 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc3cccnc23)cc1 8400382 MCZIUYZVJFBHFL-LQKURTRISA-N 492.988 4.542 50 40 JJGB Cc1[nH]nc2c1[C@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2 8951336 BPLWBYBFDHBFAN-VPUNUDNGSA-N 452.562 4.590 50 40 JJGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 14359507 FGIDKIIABPDPBI-UHFFFAOYSA-N 454.574 4.907 50 40 JJGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccccc2OCc2ccccc2)CC1 15226310 OPFJMYFYCSXPBK-VUTHCHCSSA-N 455.558 4.577 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc(O)c1 32576845 CVSDOEDCDDEICH-MXAYSNPKSA-N 450.951 4.686 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900706 NUZVYIHJLYBKOW-WYMPLXKRSA-N 457.273 4.918 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(I)cc1 59334276 COEBQUOWRSPASH-NVNXTCNLSA-N 496.732 4.527 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OC(C)C)cc3)cc2)CC1 59436912 GAXQGSHQKKBDII-TWKHWXDSSA-N 486.616 4.569 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1 408610555 ODBOQALESAIILE-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)Nc1ccc(Cl)cc1 408767016 UVUWZPVTRKNHSD-DHRITJCHSA-N 486.753 4.884 50 40 JJGB COc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 408860707 CIAYKFYBCCRTNA-UHFFFAOYSA-N 485.650 4.907 50 40 JJGB O=C(N/N=C\c1cccn1-c1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 408937545 GUFOIXNMSFKTBK-UUYOSTAYSA-N 453.252 4.658 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2)cc1C 409009443 FYGOAZJRJOEFPY-MZJWZYIUSA-N 465.937 4.503 50 40 JJGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 409188989 MBWFQZGELNRUOD-BOPFTXTBSA-N 470.323 4.902 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409264835 GESLZRVNYFANLE-KGENOOAVSA-N 485.540 4.971 50 40 JJGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2310574 GFCUYHSIKGIQDX-PKTZIBPZSA-N 493.585 4.769 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Oc1nc(Cl)ncc1F 8860788 UKDUGEQJUASSGN-PGGKNCGUSA-N 479.693 4.596 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 8861122 HJBYSTDAMAUUDK-ZMOGYAJESA-N 465.263 4.785 50 40 JJGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 12362353 JLFXIUBUBCMQMS-YZSQISJMSA-N 462.531 4.621 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)C(=O)Nc1cccc2ccccc12 14923282 UYVAEJBJGIDKLF-UVHMKAGCSA-N 457.317 4.606 50 40 JJGB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 17157683 OKMLYHFPIVSELA-JHXAUMMHSA-N 480.436 4.502 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59499246 VOZHPSPXCKYUSB-MFKUBSTISA-N 452.352 4.858 50 40 JJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59678787 MNCBYNHZWSNBRL-NKVSQWTQSA-N 457.486 4.653 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 108194245 INFHUCUEAWVKPX-QGOAFFKASA-N 461.905 4.912 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2)cc1 408977062 CPZJRXNQQHJRKU-WGLQLPMYSA-N 490.412 4.862 50 40 JJGB Cc1cc(O)nc(Sc2oc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)n1 409120452 VUWAFRAXWMQPOB-XYOKQWHBSA-N 457.309 4.543 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccccc1 681273 BIOLJPLPUJUMME-VULFUBBASA-N 492.329 4.977 50 40 JJGB aggregator CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2cccnc2)NC(=O)c2c1sc1c2CCCC1 708335 UIFSFZKRZBZMBE-FQEVSTJZSA-N 456.571 4.747 50 40 JJGB O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1015021 CQWRGHZSVSBNOO-AFUMVMLFSA-N 453.951 4.600 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 1439555 ISYQQJUSAMUEAF-XSFVSMFZSA-N 470.481 4.555 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3145756 YOYXDJPIRRFQKU-BRJLIKDPSA-N 488.283 4.650 50 40 JJGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 9183479 WOQFRYYDTPCMSG-RVDMUPIBSA-N 473.470 4.760 50 40 JJGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 9320795 KFKWCIWIVFDSMM-BRJLIKDPSA-N 453.333 4.950 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 10059285 UBWWXVREBQYHNP-FTWDSPQQSA-N 451.479 4.906 50 40 JJGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cccc3ccccc23)c1 12560627 MLMQINJPSCLDGD-OVVQPSECSA-N 473.554 4.803 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 13551554 RTNMYCQDEQFERC-OVVQPSECSA-N 487.585 4.584 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)c(C)c1 58913141 HBIGABYWOGRPKF-DHRITJCHSA-N 467.367 4.562 50 40 JJGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CN3CCOCC3)c2-c2ccccc2)cc1 98087088 QSJOASCCRABSFY-NJZRLIGZSA-N 478.596 4.902 50 40 JJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I 408746850 WRUOIYDXKRBUAX-LCYFTJDESA-N 452.679 4.889 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 408765582 YVEVZLUZUNFRQN-RWPZCVJISA-N 480.480 4.782 50 40 JJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408777960 NDZWPEYRPNNBNY-AEIQVQRHSA-N 467.978 4.988 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(OC)cc1 408894404 IARDNNVMFMWION-VUTHCHCSSA-N 483.524 4.868 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409129813 MIZQVYIINDPZPX-QFIPXVFZSA-N 494.301 4.860 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409259518 AAZQKFBQCHDIJY-STZFKDTASA-N 485.540 4.884 50 40 JJGB CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4196607 XOLNOEBBIBYVRC-KOEQRZSOSA-N 464.478 4.607 50 40 JJGB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1 9763056 CIFHJDYMMUIASA-FQEVSTJZSA-N 498.583 4.639 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 58918163 MKKMRCJXYNPURO-YZSQISJMSA-N 481.643 4.878 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCc1ccccc1 96453309 SJENCNPBQHKSOA-GDNBJRDFSA-N 452.264 4.841 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408740446 KSTMNYUAWIAOBB-WOJGMQOQSA-N 474.429 4.527 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1O 408762630 KOKWZMQQQLHUPX-LZYBPNLTSA-N 470.266 4.704 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408764958 OEERPSMLLKTZKE-DHRITJCHSA-N 479.334 4.677 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 408873745 WQLIARCKNSFFND-CXUHLZMHSA-N 467.865 4.749 50 40 JJGB COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1cccc(C(=O)O)c1 408950688 UCUAWUTVZTTXLI-MTJSOVHGSA-N 491.507 4.676 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCC(=O)Nc2cccc(C)c2)c1 409047090 MXHVIQAQLIJSTG-KGENOOAVSA-N 455.514 4.875 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409254949 YNMDRABJYYUQHV-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 1479196 OYZSLDZVFZSNLS-WYMPLXKRSA-N 468.995 4.595 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O 2332442 ZGIJGRKOMDDTDC-WYMPLXKRSA-N 496.639 4.940 50 40 JJGB O=C(CCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12 9871752 YXUUMIMCMNVTBE-YAGSLNJISA-N 456.550 4.590 50 40 JJGB COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@H](c3cccc4ccccc34)CC(=O)N2)c1 12250523 QVDHOYQGQXTTDG-FQEVSTJZSA-N 473.554 4.568 50 40 JJGB C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N)c1ccccc1 16576917 KDXWHTLGQMDMKV-AWEZNQCLSA-N 465.425 4.823 50 40 JJGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 27021192 DXEOYUODMKDHMW-RCCKNPSSSA-N 452.489 4.910 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 34689534 WTMQBUMAUXVKLG-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c(OC)c1 58913608 MDPRAAKDKHOZDO-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)c(C(=O)OCC)c1C 408546257 FOMANPLYNQCGQU-OQLLNIDSSA-N 475.950 4.791 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 408900344 VFKODHAVYDDBAG-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c(C)c1 408932476 CGPWCJUEQJFYOP-IWIPYMOSSA-N 480.568 4.936 50 40 JJGB COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc12 408981143 UWBLQIWHJPWCNR-CSLYNHGHSA-N 451.526 4.860 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1OCC 409053097 XFWMBROPRLOWGW-SSDVNMTOSA-N 486.737 4.814 50 40 JJGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1O 409392031 NEANGMIJWLZMQX-MYYYXRDXSA-N 453.336 4.836 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c1 3140238 HFDICJVWGQQMEN-LSFURLLWSA-N 484.188 4.878 50 40 JJGB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 21202519 VCABVFIDOAOHAI-UHFFFAOYSA-N 475.420 4.914 50 40 JJGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38683493 JWGPVEOBKACPJM-VWLOTQADSA-N 484.508 4.698 50 40 JJGB COc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 107972562 JAVRUYJAAVMKOU-AQTBWJFISA-N 461.905 4.912 50 40 JJGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OC 408579574 IAHQIRPGNTUQIO-OVCLIPMQSA-N 465.287 4.780 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408589226 LACTWUCDRFVIJZ-FSJBWODESA-N 471.311 4.537 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)c1C 408791486 YCUCCRVEDNLMIN-AWNIVKPZSA-N 497.130 4.922 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408794975 JTLLNZWOJMGWCJ-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB O=C(N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccco1 408823919 GWYITNJMPFMHAR-CVKSISIWSA-N 497.960 4.681 50 40 JJGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cccc(Br)c1 408843244 RDKYNFZVUSNIAP-YSURURNPSA-N 483.313 5.361 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 408882742 SBDZNJZLXIFHGZ-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409050236 STTJXIDPVTZRCJ-CPNJWEJPSA-N 489.915 4.690 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1cccc(F)c1 409131715 WOYLRKGRFDCEMS-FQEVSTJZSA-N 454.889 4.707 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 409218157 YYNFNXVCZNPGPL-MSXFZWOLSA-N 485.294 4.707 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 716673 DHQGHRSBWHATSL-QFIPXVFZSA-N 484.581 4.811 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccccc1F 12375416 SHOUOFBVBGYTHW-FQEVSTJZSA-N 471.561 4.650 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 16411049 FQTSIHWKNKCPND-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 20240575 HDXAPRAFGWXSMA-DFKUXCBWSA-N 499.659 4.628 50 40 JJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214208 NSHNNQZVSDUCAM-AEIQVQRHSA-N 467.978 4.988 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1C 58913139 PNGVEIGFUWMSMV-DHRITJCHSA-N 467.367 4.562 50 40 JJGB O=C(O)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102584396 OQYABNUUDXZGCY-QPLCGJKRSA-O 486.915 4.903 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408608767 INPQGQKWAQFCSH-JVWAILMASA-N 465.937 4.797 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2cccc([N+](=O)[O-])c2)c1 408802127 DHPSVBFXKNHSGO-WOJGMQOQSA-N 474.429 4.636 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)cc1 409027249 CAXCCHXBZWGISV-WPWMEQJKSA-N 479.602 4.512 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nc3ccccc3c2=O)cc1 2238270 OVWHZCGPAOXJBS-LQKURTRISA-N 486.597 4.760 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3ccncc3)CC[C@@]1(C(Br)Br)[C@H]2Br 8384976 XDVXLFQAMFXYPI-WKPIXPDZSA-N 481.026 4.706 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 20197736 RBGMOIGWNHUCFC-MFKUBSTISA-N 450.495 4.564 50 40 JJGB C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)C(F)(F)F)cc1 22537751 GYYIDBJADASXFX-VYYCAZPPSA-N 455.864 4.849 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1 58915399 FAIRRGAQYZJPFC-TURZUDJPSA-N 486.597 4.683 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408726560 UCLVQJCRBFWDOE-CVKSISIWSA-N 483.362 4.738 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(I)c2)cc1 408742371 ADVNHXOOLOROPY-PTNGSMBKSA-N 462.287 4.634 50 40 JJGB Cc1c(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)sc2ncnc(N)c12 408972509 DAEKEFDQAAKEDL-YPXUMCKCSA-N 451.939 4.578 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 409010138 DNWSOTVYBBMJFK-RWPZCVJISA-N 495.963 4.594 50 40 JJGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-] 409156363 NZVOSCXQXBSYAV-XYGFXTTESA-N 480.496 4.597 50 40 JJGB COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c2)cc1 409226246 QDQWVIQXULHPNN-UHFFFAOYSA-N 483.480 4.524 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 409366804 YPLVUHRCVZIWCW-NTFVMDSBSA-N 480.948 4.782 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1818602 LRQLXOLPPMRDAF-JVWAILMASA-N 491.020 4.896 50 40 JJGB N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@@H]1c1c(F)c(F)c(F)c(F)c1F 2091312 UIJNLCVXQWAKHP-OAHLLOKOSA-N 456.374 4.559 50 40 JJGB COc1cccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC 6578089 ULIGHJUTGRUJAK-INIZCTEOSA-N 455.967 4.885 50 40 JJGB aggregator C/C(=N\NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)c1cccc(Br)c1 8952182 HQKVYIQWQJXVOW-PZMJATQJSA-N 468.376 4.822 50 40 JJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I 9311225 ZRWDCQMELIUMRF-SFQUDFHCSA-N 458.299 4.964 50 40 JJGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NNC(=O)c1ccccc1 12679290 IQPPIYLQVWEUGN-UHFFFAOYSA-N 466.613 4.537 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(C)cc1 13858061 FKMVKDMODDDRPO-LQKURTRISA-N 460.530 4.759 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2F)cc1 58925272 SQVRCFLCDGCTGS-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59534572 QFKQHFZUIHFOEX-DEDYPNTBSA-N 475.574 4.887 50 40 JJGB CCOC(=O)c1c(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCCC2 102401696 NARMTDWMZCBEES-RXYZOABWSA-N 482.440 4.901 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2)cc1 408796070 DEDXIGRKWLAPRV-PXLXIMEGSA-N 456.498 4.997 50 40 JJGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408866069 FLOLRQCETGBZLF-WLRTZDKTSA-N 452.679 4.807 50 40 JJGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)C(O)(c1ccccc1)c1ccccc1 409017192 FEWLRROLEFMRTR-OVVQPSECSA-N 474.358 4.626 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044544 GWGZJPVNRDTLSB-UDWIEESQSA-N 475.932 4.589 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409126814 GCNLJOMNCLYKED-JOCHJYFZSA-N 479.876 4.760 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2)C2=C1CC(C)(C)CC2=O 409138654 GCLFHZGGCDEYSM-VWLOTQADSA-N 457.574 4.648 50 40 JJGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3C)=C2C#N)cc1 409321324 FXEOJZHLCRPODQ-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(O)c1 409392506 PUCHPGPFUOLPSA-ZMOGYAJESA-N 455.308 4.506 50 40 JJGB N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 3248561 ANXRXPIHLQPWFA-DEOSSOPVSA-N 483.593 4.654 50 40 JJGB Cc1cc(Br)c(NCC(=O)N/N=C/C=C/c2ccccc2)c(Br)c1 8809590 SOKUTEVQUDSWBF-RCSBLCLSSA-N 451.162 4.747 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OC 9263590 FAYRHAKSUMBRJD-NTUHNPAUSA-N 475.286 4.648 50 40 JJGB CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O 9693251 XIQAEAAASKZZLT-QGZVFWFLSA-N 486.391 4.773 50 40 JJGB O=C(/C=C\c1ccco1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(F)cc1 30822070 PWPUQOKEVBQZLE-MPKJUOOFSA-N 457.255 4.564 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 34857946 CYHGPNFXBAUFKU-QFEZKATASA-N 467.865 4.630 50 40 JJGB C=CCc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(OCC)c1O 59250038 IOYZEBZYAXKDGI-LSHDLFTRSA-N 498.171 4.514 50 40 JJGB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1C 408691362 ZMVZGTFHDBRSET-SOXBMFEASA-N 456.336 4.605 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 408726383 LYRROXWFHPJJDT-YZSQISJMSA-N 473.957 4.523 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC#N 408798934 XLAMTTOVPUDDTE-RIYZIHGNSA-N 460.715 4.949 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(OC)c3OCC(=O)Nc3ccccc3)cc2c1 409185057 QYRDNIDAUNXPBZ-NTFVMDSBSA-N 487.512 4.622 50 40 JJGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409220789 FVFNUYJBPUGLMZ-WGARJPEWSA-N 462.506 4.979 50 40 JJGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1)Nc1ccccc1Cl 409256277 KRXRBXDZHIFUMV-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1cccnc1 3294426 GMAITSMIUSJWFU-UHFFFAOYSA-N 465.542 4.572 50 40 JJGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 20248666 KQJBEPVNEKUBRT-CNEBYDFUSA-N 490.654 4.948 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(C(=O)O)c1 408850801 RICDLJDBJFUOTC-XKZIYDEJSA-N 452.514 4.540 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(Cl)cc1 408899459 POIQWGOUSPKTAV-SFQUDFHCSA-N 476.872 4.812 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 408904177 FYKUJMSEOJCCHF-MXAYSNPKSA-N 490.428 4.601 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409138810 IISPLEKZLYOLRY-JOCHJYFZSA-N 494.935 4.566 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NC1CCCC1 409189958 OJWDPTLTINOIQL-YVLHZVERSA-N 470.323 4.902 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409273556 ZBMWASVQGBGAOC-FUSDPXDGSA-N 465.912 4.561 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccccc2)cc1 1749719 BSYYVYJJZUXLCY-WPWMEQJKSA-N 471.586 4.884 50 40 JJGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 2321193 UBTXIXBXVYJYLH-GZTJUZNOSA-N 478.526 4.860 50 40 JJGB N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)c1nc2ccccc2s1 9075353 HDCUKAJODJOPJY-CZIZESTLSA-N 490.592 4.695 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4OCC)CSC3=C2C#N)cc1OC 9693274 XZRMWGIBDZFSCQ-SFHVURJKSA-N 465.575 4.712 50 40 JJGB COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2)cc(OC)c1OC 10060131 MDFSMBRQJZWAOI-MZJWZYIUSA-N 482.920 4.657 50 40 JJGB C[C@]1(CBr)CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccccc2)S1 12402431 OWMLFEZRLWAMTP-LBPRGKRZSA-N 460.241 4.826 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Br 20760398 ZNVJIMUDFBULJU-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C#N)cc1COc1cc(F)ccc1[N+](=O)[O-] 22714325 DTSXDRVOOXBVDO-PXNMLYILSA-N 478.461 4.800 50 40 JJGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)c1 25355647 OVDNQFIMJOWQOR-UHFFFAOYSA-N 472.501 4.692 50 40 JJGB CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 33343420 OGGMRNUJIWHJAK-PKAZHMFMSA-N 487.585 4.584 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 34689034 WCWXXASIDROITR-YSMPRRRNSA-N 467.909 4.919 50 40 JJGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3I)c2C)c1 408756331 ZAPDWXZSXMPPDI-CFRMEGHHSA-N 487.341 4.536 50 40 JJGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408796667 PNFTYMRQMCEXCU-MKMNVTDBSA-N 493.741 4.517 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 408888103 WUPQCZFSSJPJJK-WGOQTCKBSA-N 489.509 4.588 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1 409253996 HGZQZMLATNCGCP-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccc(Cl)cc2)cc1 1823657 VTLAGLLBKBZVTO-MZJWZYIUSA-N 495.967 4.978 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(Br)cc1 3174631 DYXVNXCTHBMRKO-OVMKCGGTSA-N 470.161 4.528 50 40 JJGB N#C[C@H](/C(=N\NC(=O)c1ccccc1O)C(=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 8653154 NSESCDYZPCIYJX-USILCFRFSA-N 491.334 4.969 50 40 JJGB CCn1c(SCC(=O)N/N=C(\C)c2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 8817160 UEYATMDYCYWSOG-YZSQISJMSA-N 465.623 4.904 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1C#N 9323486 RDANZXFZRSARTK-MZJWZYIUSA-N 470.441 4.564 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCCC)c(OC)c2)C(C#N)=C(N)O3)cc1 9436192 IMSYSXYACGHTQP-JOCHJYFZSA-N 460.534 4.881 50 40 JJGB COc1cc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1O 9763116 SXUQMLHBSAJFBR-WSDLNYQXSA-N 495.051 4.831 50 40 JJGB C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 195801534 KZKVGEIAXRKFFJ-XZDIRCTPSA-N 476.686 4.792 50 40 JJGB biogenic COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 408839258 PPABHZXSIVVJOF-OGLMXYFKSA-N 483.480 4.524 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 408925070 STFNGTYCSVURAD-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB CCCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408969723 SLVZMIGBSCTRDP-FSJBWODESA-N 461.312 4.765 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 409183337 BBAJUUYIYUOCAV-OVVQPSECSA-N 487.984 4.832 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OCC(=O)Nc1ccc(F)cc1 409250964 YYYNWSHLYVTPOF-XLNRJJMWSA-N 487.531 4.508 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409256589 MFNABKJFXSAJRG-QFEZKATASA-N 466.335 4.539 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)ccc1OC 409311095 FEYNNAGNBIFFBV-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1OC 1904594 XQZXODGLLCRLCK-WYMPLXKRSA-N 463.372 4.817 50 40 JJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OCC 2175995 IDODSDHAABDWGQ-BHGWPJFGSA-N 455.725 4.587 50 40 JJGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(C)=O)c1C 2340559 HSQACEQZWRCZFQ-ZSOIEALJSA-N 467.528 4.875 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1 3027209 ZTLCBGZNHONBPX-NMWXHYLDSA-N 459.285 4.734 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OCC)cc2)cc1OCC 12276147 ATIWIAXCERHTJQ-IDISGSTGSA-N 494.613 4.916 50 40 JJGB COc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 19851987 NNXRKVCZYKDZLK-XTEPFMGCSA-N 471.564 4.774 50 40 JJGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 19940229 GETYVBSJCQPKHE-NRFANRHFSA-N 471.966 4.954 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)c(C(=O)OCC)c1C 33411937 OOLFTQXANXSZBZ-XMHGGMMESA-N 482.602 4.975 50 40 JJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCC(=O)OC 34888506 HDPIVUSNGDXILS-NVNXTCNLSA-N 470.323 4.649 50 40 JJGB N#C/C(=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 44790525 VCXVDNPYPXWVPK-QFTJCQGQSA-N 453.464 4.911 50 40 JJGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc(C(C)(C)C)cc3)c3ccccc32)c1 46084845 BELVIJLVHCBTGY-QVTSOHHYSA-N 485.584 4.617 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 408880054 IPHJCOKSUGSCRU-RCCKNPSSSA-N 476.554 4.879 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(N)=O)cc1 409247227 GYMMCEWFZYTWFW-WQRHYEAKSA-N 452.436 4.758 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409304139 QDYCNXLDBKLBRD-DICXZTSXSA-N 452.482 4.585 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 1825375 OFQVUPWTEVRJPH-RDRPBHBLSA-N 499.640 4.783 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Br)cc1 9425484 BLNWOQWCPQFADO-QGOAFFKASA-N 497.345 4.732 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1cccs1 13838616 VONXZSWGBFJLED-YDZHTSKRSA-N 473.348 4.892 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 28213892 NNXOFDYFQMWJGL-VULFUBBASA-N 483.977 4.609 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58911767 JOHUWPOKBHHBLI-KKMKTNMSSA-N 477.779 4.821 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)Cc2ccc(Cl)cc2)c(C)c1 108147586 OINPDDQWTUELGS-MXAYSNPKSA-N 490.050 4.668 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408640058 AEPTVQNZBPBXGJ-KDOFPFPSSA-N 454.737 4.770 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 408753694 HGMSYVHVNGAXMC-BJMVGYQFSA-N 489.096 4.858 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 409017177 FEJDHIKQDYJFNO-UXHLAJHPSA-N 496.567 4.884 50 40 JJGB COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1cccc(C(=O)O)c1 2156453 JCOMAFUUJOCYMV-KEBDBYFISA-N 478.508 4.981 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OCC 12275617 BBBUTUJKLPNVQU-KBMIEXCESA-N 468.550 4.656 50 40 JJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332968 DHTODMHGSMBOOB-AQTBWJFISA-N 486.797 4.923 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)N1CCOCC1 408765423 VWMBDCMTRPJGMG-KGENOOAVSA-N 477.358 4.947 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408797446 RQLOZCNOFXTIHR-VCHYOVAHSA-N 478.888 4.877 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408798182 VBSGMUUVKIDKFV-UDWIEESQSA-N 460.461 4.746 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccccc1 409004708 YDNZZRBQHAIORE-WPWMEQJKSA-N 453.454 4.515 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409203007 VOTYDZQOOZCTGW-XDHOZWIPSA-N 459.458 4.737 50 40 JJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I 409231602 KGBMPQBGSFXNLO-ZROIWOOFSA-N 496.226 4.868 50 40 JJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409253803 GWFSOCRGDUKBEY-RPPGKUMJSA-N 457.313 4.994 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 2303653 QQYOOFOFRNODRM-RQZCQDPDSA-N 451.276 4.611 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(Br)o1 2336819 VDTDSODNMJNFHT-ZVBGSRNCSA-N 451.118 4.520 50 40 JJGB COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 2663116 MDRDQNXUFRUUTN-MUFRIFMGSA-N 473.508 4.683 50 40 JJGB COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)ccc1OCc1ccccc1 9087070 AQZDOFSNTDECCI-QFIPXVFZSA-N 499.592 4.985 50 40 JJGB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)/C(=N\NC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 12384172 TYDIZZPWBSYUAN-QAFQBFTQSA-N 477.586 4.702 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 19937006 MSGZXEDMHNIMFT-NLRVBDNBSA-N 467.978 4.875 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58911956 STKZLXVQTBAQNQ-WEPAEKJRSA-N 457.361 4.728 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)cc1C 58913071 ZHYLVDDQJRWEDP-DHRITJCHSA-N 467.367 4.562 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58914115 HGSYLJZECOWYOZ-MBTHVWNTSA-N 471.388 4.600 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OCc1ccccc1 59427805 UOJOGILBLZYQTQ-UXHLAJHPSA-N 461.521 4.884 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)Cc2ccccc2)cc1 59515871 OAIIWATWBJAVLW-VULFUBBASA-N 490.412 4.643 50 40 JJGB O=P1(N(CCCl)CCCl)Oc2ccccc2OCCOCCOc2ccccc2O1 100675479 WNGHYYJSHDAJPZ-UHFFFAOYSA-N 476.293 4.820 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)NCc1ccccc1 408765895 RJXSYDPHQWKAFE-XSFVSMFZSA-N 461.315 4.892 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC 408783718 QKTGEZQBKQTWKD-RGEXLXHISA-N 484.394 4.502 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 408887440 QRSRBNUQHKTDHC-GHRIWEEISA-N 472.413 4.576 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(Br)c(Br)o1 408954693 UOJPASGQEQPIKK-FMQZQXMHSA-N 475.187 4.657 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409372686 ZXPMPCUPFHJVJG-PPDIBHTLSA-N 490.318 4.923 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OCc1ccc(Br)cc1 409392770 RSOQSHACPKEIMT-VULFUBBASA-N 499.361 4.905 50 40 JJGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 1097000 YSJGLPATGUNSIJ-AJBULDERSA-N 461.521 4.523 50 40 JJGB COc1ccccc1[C@](O)(C(=O)NN(C(=O)c1ccccc1)c1ccccc1C)c1cccs1 1288472 CSVJSSGKZFRFMC-HHHXNRCGSA-N 472.566 4.679 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CCCC3)ccc1OS(=O)(=O)c1cc(C)ccc1C 2660497 AGWSRILQXXLBJA-CVKSISIWSA-N 498.626 4.784 50 40 JJGB CC(C)(C)NC(=O)[C@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C 8384957 VJSQZSFNIPMTTB-WZYXQFPFSA-N 460.048 4.587 50 40 JJGB CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21 8836357 YDSDCWMMDOSLEJ-MRCUWXFGSA-N 479.378 4.570 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 58840207 IATYSVWLTRTTAE-LSHDLFTRSA-N 456.867 4.892 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N 59503526 KWTLKMHVVMCCFN-NSKAYECMSA-N 473.316 4.504 50 40 JJGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 97674221 GOUSUFOJSGRCSA-HKWRFOASSA-N 462.506 4.698 50 40 JJGB CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 408608896 XJUAYLGCULVVSG-FQEVSTJZSA-N 467.982 4.853 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408611651 RKVCZCJIOMACLZ-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408747433 NWHXMLJVJVNVFX-LCYFTJDESA-N 461.113 4.660 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccccc1 409224609 KWVYQFLSTFVOJT-UHFFFAOYSA-N 493.519 4.931 50 40 JJGB O=C(N/N=C/c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 2424373 QDKAYUGBNINNSD-BHGWPJFGSA-N 458.459 4.527 50 40 JJGB CC(=O)C1=C(C)NC(SCc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 8934478 ANLZFHYVCGULOQ-OAQYLSRUSA-N 450.476 4.721 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 14134695 XWGATGXZEKVGAC-ZUICHYAESA-N 459.329 4.765 50 40 JJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 16283295 VEYONJHNNYJWDW-OEAKJJBVSA-N 466.541 4.848 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccs1 20206970 GXIWUFYIWMENQE-JJIBRWJFSA-N 476.023 4.754 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1O 20240655 UPRGUPOLQDQMLQ-VUTHCHCSSA-N 457.574 4.619 50 40 JJGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408771717 BMKZNDIQFGFVMI-WGOQTCKBSA-N 474.026 4.800 50 40 JJGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O 408961724 UXHYHZXTLYKPQI-SSDVNMTOSA-N 481.188 4.590 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)CSc3ccc(OC)cc3)c2C)c1 408967531 QSJJENKNTUWUCR-YSMPRRRNSA-N 465.575 4.522 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1)S(C)(=O)=O 409134103 VTSHPIDENRRZGP-JVWAILMASA-N 463.603 4.650 50 40 JJGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2)cc1 409220129 UPGCCMDFNKDGGU-YUMHPJSZSA-N 488.500 4.563 50 40 JJGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1NC(=O)c1ccccc1 409228153 USDRXLAEBSRCRR-MXAYSNPKSA-N 479.334 4.761 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409251535 RAMPYEMZYMMCDX-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 409321833 JVKFMCKOMOCTMP-INIZCTEOSA-N 474.355 4.607 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 20060044 PYCSDTLXADYSTL-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 37390786 ULZMLFCCGCZTSE-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 58871401 ZRNOZQYOLHCREL-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408529153 ILLZNCWXHOFFLM-DHRITJCHSA-N 486.357 4.569 50 40 JJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1C 408566994 JSDYAXQFOQAUKY-FSJBWODESA-N 456.296 4.927 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408570493 VYAVGNDCKAIYJJ-YDZHTSKRSA-N 469.544 4.863 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 408768950 MUIDXPMMUNPELX-SXGWCWSVSA-N 476.314 4.861 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 408814670 VYSUNTHPKJIIGN-IZZDOVSWSA-N 454.093 4.905 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408818946 ZIESRGTWKYUSHQ-KFVRLDSISA-N 461.345 4.783 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1 408837573 IZFGMISFHVZLLP-TURZUDJPSA-N 493.629 4.692 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(C)c1 408911212 ZGALSRNJCFJUOS-SSDVNMTOSA-N 484.188 4.707 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 59333179 FHNZZEQQUWEIDU-JXAWBTAJSA-N 461.905 4.554 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 59334941 PHMWBJYAJWYOQG-DHDCSXOGSA-N 464.157 4.786 50 40 JJGB CCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 95681979 LCXCWEJWMCWGTM-UHFFFAOYSA-N 477.389 4.588 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 408799017 XOWSIIOXVXCULU-HZHRSRAPSA-N 451.482 4.860 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 408882372 OVLQLMKDCWMNMG-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408980852 TVSFOPYWLZKQOG-VLFWRSRWSA-N 473.573 4.886 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409126187 AXWCFIUXENQWNA-NRFANRHFSA-N 496.317 4.751 50 40 JJGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(CSc3ccccn3)c2)C(C#N)=C(N)O1 850017 FYVOSEZMILRUGT-JOCHJYFZSA-N 465.575 4.807 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3090225 NIZQXVYNQFSTBZ-MUFRIFMGSA-N 498.495 4.538 50 40 JJGB CCOC(=O)N1CCC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 9096974 RAHHMETYDGXREK-UHFFFAOYSA-N 468.604 4.927 50 40 JJGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1Cl 9292323 QXEWGWQOQJAJDV-XMHGGMMESA-N 477.929 4.787 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 33630649 YMCRJDAQRSDUNL-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 33893251 LNFBQFRFXXLIIA-WOJGMQOQSA-N 477.448 4.876 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 58900675 DICZUOXEWCKQGA-MFKUBSTISA-N 465.351 4.531 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(C)c2)cc1 408796080 DHORWQLQGZNASS-HYARGMPZSA-N 456.498 4.915 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1C 409010579 CGYMYRVFXDXMEF-QLIVZAJQSA-N 494.419 4.759 50 40 JJGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc(C)c1Br 409194860 DELREZICPGAXLH-ZNQKWNQWSA-N 456.384 4.676 50 40 JJGB COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(COC(C)=O)c3)c3ccccc3n2)c1 659535 ZXHOKBYNKMVWND-MUFRIFMGSA-N 483.524 4.746 50 40 JJGB COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCCC3)OC(N)=C(C#N)[C@H]1c1ccccc1 663455 IZCSRXLGICVWDK-HSZRJFAPSA-N 486.597 4.639 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c(C)c1 883578 QGYCFQQRROKDKU-DEDYPNTBSA-N 452.514 4.713 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1Cl 9190572 RPWGNDULRUWRKY-DNTJNYDQSA-N 460.553 4.946 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccs1 9614442 CPAARCRDIZCACT-AFUMVMLFSA-N 452.532 4.512 50 40 JJGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 9633788 HLNSKEJQGPGVCV-QQFZQELXSA-N 465.859 4.902 50 40 JJGB CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(=O)Nc2ccccc2)=C(C)N1 20348606 IPMCLEOGBRHDFJ-DEOSSOPVSA-N 478.593 4.762 50 40 JJGB Cc1ccccc1CSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1 27991233 MDPWPQWKYSTNHO-UHFFFAOYSA-N 491.798 4.568 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 28216830 SUTCXMUPTLJJSI-RWPZCVJISA-N 485.415 4.997 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 100062731 BOJWIDRASTYJAE-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 409067171 PKPJVTHKJXAKSJ-GHRIWEEISA-N 498.944 4.671 50 40 JJGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 409122815 BYQFNOBJKYVRDO-MRXNPFEDSA-N 480.156 4.591 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1)S(C)(=O)=O 409134097 OTIKOWCPNLCXFB-RWPZCVJISA-N 489.519 4.744 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1NC(=O)c1ccccc1 409203400 WAMJGDDJEVTMGR-UYRXBGFRSA-N 463.335 4.797 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409257380 SJQSWQATUXTUFZ-HMAPJEAMSA-N 483.524 4.653 50 40 JJGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 954233 FFVAWVGZZZXPCW-OVCLIPMQSA-N 469.320 4.950 50 40 JJGB C[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 2557588 CXGNUMLUNZHOEQ-SECBINFHSA-N 452.157 4.516 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2727105 NBTLZSIITLZOML-VULFUBBASA-N 497.891 4.639 50 40 JJGB O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccnc1 3335293 LRSHGRNHIZJCIP-BHGWPJFGSA-N 489.167 4.950 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C)s3)n2-c2ccc(C)cc2)cc1 9763152 BOFZGBTTYXSLQQ-QFEZKATASA-N 477.615 4.864 50 40 JJGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)OC(C)C)=C(C#N)[C@H]1c1ccccc1 12250297 KWXHTFTZGDXTRW-XMMPIXPASA-N 477.586 4.715 50 40 JJGB CC1=C(C(=O)Nc2nccs2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347935 JEJNSAOXSBPGNR-OAQYLSRUSA-N 491.598 4.751 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 28217710 OKJPPHVECMRVON-SSDVNMTOSA-N 469.788 4.918 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC#N)o2)cc1 33870246 COAVYXVCYGSVPX-RHANQZHGSA-N 468.513 4.932 50 40 JJGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N2C(=N1)SC(C#N)=C2N 408608878 XFRGBMQUSBSYEX-LJQANCHMSA-N 454.939 4.936 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408726599 UHNWBULPYTXEIF-WJDWOHSUSA-N 457.324 4.967 50 40 JJGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(I)cc1 408779573 YTVYNJUXNRGLSJ-XKZIYDEJSA-N 458.303 4.854 50 40 JJGB CCOc1ccc(NC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408963983 AYCKLHZHYVOCGM-YSMPRRRNSA-N 463.490 4.527 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 408973242 ACAAJZSQIYKQCL-MZJWZYIUSA-N 466.921 4.739 50 40 JJGB O=C(Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 408996026 GNKGJOXAGSFMDL-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(F)cc1 409368914 SCSBMHHGKXNULR-LICLKQGHSA-N 459.315 4.705 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 1095463 KLORSCLHDZGSJC-FYJGNVAPSA-N 483.528 4.758 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1Br 3088771 GRMAYXFSGJWQSA-UFFVCSGVSA-N 485.245 4.661 50 40 JJGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc4c(c3)OCO4)NC3=C2C(=O)CC(C)(C)C3)o1 3336207 WHGOHAQMJUGFCO-HSZRJFAPSA-N 491.569 4.754 50 40 JJGB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNc1c(Cl)cc(Cl)cc1Cl 9981063 GUJPACFPQBDIJD-HNNXBMFYSA-N 450.700 4.823 50 40 JJGB CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CC)c32)c1OCc1ccccc1Cl 12139329 PQYRWGWAZXXIHF-HXUWFJFHSA-N 450.926 4.821 50 40 JJGB COc1cccc(C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)c1 13095847 PJBJXEPETVFDCB-RWPZCVJISA-N 456.420 4.938 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 33737393 UEVUIAXRULOKQJ-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 108007535 HFXDOGBOUPOHRU-MUXKCCDJSA-N 483.927 4.968 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccccc1 408608192 GSURWVUVGJUAAB-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)c1 408795256 LHUQMDSVSVKOHY-AWNIVKPZSA-N 497.130 4.922 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(F)cc1 8812076 OBPFHENHUJXNKI-WYMPLXKRSA-N 472.270 4.839 50 40 JJGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1 10118494 QFGNZCASAXHBPB-YDZHTSKRSA-N 458.299 4.996 50 40 JJGB COc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)cc1NC(C)=O 12604702 UXZWOBGQGDWKOX-MRXNPFEDSA-N 468.906 4.674 50 40 JJGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCC2)cc1 20059501 MXHQXFPCBOCFFN-UHFFFAOYSA-N 477.586 4.751 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 33389433 RRAFFQZLAMNBFJ-UEIJICEPSA-N 497.201 4.667 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)OC 59335692 QAUKVVREAAQQOW-WQRHYEAKSA-N 469.335 4.584 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)NCc1ccccc1 408742311 VYYRYDDYCPMFKN-SFQUDFHCSA-N 454.267 4.775 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 408910446 WQCMITXWRJWUDF-MLEMOKSJSA-N 487.600 4.998 50 40 JJGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409326449 KGWAEJFHDHSJIF-QGZVFWFLSA-N 469.994 4.930 50 40 JJGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3ccc(C)cc3nc2N2CCCCC2)C(C#N)=C(N)O1 1221387 KUDUEEURNGRDNA-QHCPKHFHSA-N 460.578 4.957 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1C 58913297 UYNAAMZPOXPJHM-XODNFHPESA-N 456.468 4.819 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)C2=C1CCCC2=O 409139039 LPFQRWTXPYFWTR-QFIPXVFZSA-N 482.353 4.897 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])cc1OCc1ccccc1 409201380 MIPNSQPOEDJYAF-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(N(C)C)c3)o2)c(Br)c1 409245367 RSDRNXCLOCNKPG-CFRMEGHHSA-N 456.340 4.613 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2216631 XIAIROJPQBTZAC-BAACNHRGSA-N 497.201 4.667 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OCC)cc2)cc1OCC 12276150 ATIWIAXCERHTJQ-ZBLYBZFDSA-N 494.613 4.916 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 19956165 SXWMUUWLUKHSHR-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 28214220 GJNLELHISDTHMG-HJHSVFMCSA-N 496.032 4.709 50 40 JJGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCOCC2)cc1 58928010 UDLAASUHFCUQMO-OGLMXYFKSA-N 463.965 4.515 50 40 JJGB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(OC(F)F)cc3)cc2)cc1 97994657 HOHLXNDJIUBFAG-VKAVYKQESA-N 499.495 4.643 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 108074737 UIPMBWKCNTUYTP-ZRGSRPPYSA-N 460.292 4.914 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)c2C)c(C)c1 408877808 URBDJISOUSZTLJ-LQKURTRISA-N 494.661 4.751 50 40 JJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 408880086 IXQASPDQTSBDCH-VZUCSPMQSA-N 466.675 4.574 50 40 JJGB Cc1ccnc(Sc2oc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Br)n1 409275732 WFLINEBFHLDOMW-OQLLNIDSSA-N 455.337 4.515 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409392284 OTXRMLBHOWYWNM-LQKURTRISA-N 454.486 4.889 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 648235 LDIBIAAKWQUTJG-RUZDIDTESA-N 462.546 4.844 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 9187402 ZIIKFMZIUZDCHC-CPNJWEJPSA-N 496.523 4.814 50 40 JJGB Cc1ccc(C)c(NC(=O)c2nc(NNC(=O)c3ccc(Br)cc3)ncc2Cl)c1 11914597 GPFFKBITUNHZMM-UHFFFAOYSA-N 474.746 4.519 50 40 JJGB C/C(=N/NC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C)c1cc(Br)cs1 22564870 ZMWUCWAUXCXYLC-RMORIDSASA-N 458.385 4.701 50 40 JJGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 28217775 XEVRAHQXSDSIMM-NUGSKGIGSA-N 471.138 4.707 50 40 JJGB C[C@H]1[C@H](C)N1P(I)(c1ccccc1)(c1ccccc1)c1ccccc1 104127966 MZDDUYSKIYIHCU-OALUTQOASA-N 459.311 4.874 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)cc(Br)c1O 408570468 VNENFVZOEZJHNU-ZVBGSRNCSA-N 487.828 4.816 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(C)=O 408752673 FYUMZJDFPFVXKS-ZSOIEALJSA-N 463.715 4.972 50 40 JJGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(I)cc1 408755150 PVZCBCOIESBNAL-WQLSENKSSA-N 483.103 4.608 50 40 JJGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408772192 CFESYJMATUMZQP-OGLMXYFKSA-N 493.629 4.781 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1cccc(Br)c1 409336904 VJXBPSBQHUBGAQ-MRXNPFEDSA-N 476.783 4.813 50 40 JJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2I)c1C 409382772 QVLUZFUXEZNAIP-UNOMPAQXSA-N 484.341 4.794 50 40 JJGB N#CC(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)=C1Nc2ccccc2N1 6017277 KZPMJNPAWYHHSX-UHFFFAOYSA-N 454.515 4.520 50 40 JJGB CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 8685390 PQLMVFREXYBRKX-XMMPIXPASA-N 494.915 4.525 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1 8717771 CIZOHIQWEIQESR-SRIJWZPRSA-N 471.376 4.747 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)c1 8811227 DNKRLAAHAJNFCB-MUFRIFMGSA-N 452.514 4.651 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 9065299 RISVCXXVZYKIQE-CWCGOZQBSA-N 470.573 4.920 50 40 JJGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(C)c(C)c3C)cc2)S(C)(=O)=O)cc1C 20232655 RHDZGAFZRWAKOJ-LQKURTRISA-N 477.630 4.959 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247145 IQBPQTAEWZBFFO-MOLSVDMISA-N 459.571 4.623 50 40 JJGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 20247254 MAWOQRIHJNZIEW-AUXZNKLVSA-N 474.542 4.523 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)C12CC3CC(CC(C3)C1)C2 20615352 SPJQYPJSTXEHDZ-ZVBGSRNCSA-N 456.178 4.584 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28216832 FOBCVRXAPLIPTD-RWPZCVJISA-N 485.415 4.997 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408724521 AZHCAAPQVRGGDQ-DHDCSXOGSA-N 472.295 4.866 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)c2ccccc12 408912421 QFMOMTNSXPVXAF-QQNPRBCQSA-N 461.562 4.682 50 40 JJGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974390 ZAKLMAKAFPNGNZ-VMBKIOOXSA-N 463.990 4.921 50 40 JJGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(N(C)C)cc1 409011585 GMECSARCNYLBGC-UNBCSGRISA-N 493.435 4.508 50 40 JJGB CCOC(=O)COc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cccc1OC 409041388 VLEHTEUVAWKVFI-STBIYBPSSA-N 483.524 4.616 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OCC 409063187 IHFCHPCJIQSXLX-WJDWOHSUSA-N 482.362 4.835 50 40 JJGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc1 9381876 VHIQLZHNRWJROR-SFHVURJKSA-N 472.636 4.623 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1F 9973342 OZMKNTBALDWOIE-RGEXLXHISA-N 489.503 4.796 50 40 JJGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12561575 ODMUJBJYVKWDKP-LFIBNONCSA-N 464.374 4.714 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 19937077 MBQHLLQOBQFDMP-JVWAILMASA-N 492.988 4.618 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 20059547 XZGAEORZFUHVKQ-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)c1cccc([N+](=O)[O-])c1 109026564 WCIVRMQSJZUZMM-QCDXTXTGSA-N 482.084 4.647 50 40 JJGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1cccc(Br)c1 409021000 WRTSNWBTYGOWDG-WSDLNYQXSA-N 477.156 4.531 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1OCc1cccc(C(=O)O)c1 409234547 LMVZILWCLXLBEV-OYADDEIPSA-N 456.498 4.757 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC 409324035 QVIGPXQJQNPCKL-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB COc1ccccc1C(O)(C(=O)NN=C(c1ccccc1)c1ccccc1)c1ccccc1OC 2293410 PZKJTBUAHZJFAP-UHFFFAOYSA-N 466.537 4.509 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 6015249 NVUFHZCAOUENQV-DEOSSOPVSA-N 470.554 4.986 50 40 JJGB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccccc1 8820192 HCKYPNLGDLMLTD-CYVLTUHYSA-N 488.034 4.563 50 40 JJGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)c1 9159686 PDOITJNFQATBHE-QHCPKHFHSA-N 450.498 4.882 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4Cl)c3)[nH]n2)cc1 17015151 GGCDSTAGYXLKFY-RWPZCVJISA-N 488.931 4.860 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 30803211 UTKDJJPBMIDFAU-RAWMCFOBSA-N 458.301 4.689 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(Br)c1OC(=O)c1ccc(C)cc1 30822029 XIGLMIWOSFSBNK-ZMFRSBBQSA-N 485.309 4.888 50 40 JJGB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)ccc1OCc1ccccc1 408609330 ZIXPRANUVKFFFE-QHCPKHFHSA-N 490.585 4.611 50 40 JJGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408645775 IGNGJUBMPPURIL-KXBFYZLASA-N 452.309 4.564 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408788420 CVZBDBZVUXSELE-KPKJPENVSA-N 466.129 4.862 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)O 408857043 MUGNSCGNNUIWCG-RHANQZHGSA-N 483.524 4.689 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1Cl 409319813 MFVCALPWGKXHQE-QGZVFWFLSA-N 469.994 4.984 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 8817547 YFIIVAKFIACWEP-CVKSISIWSA-N 477.977 4.839 50 40 JJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693287 VUMNPZYUIGDEDK-SFHVURJKSA-N 456.365 4.677 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 9879450 MBZNGIVYMMDFGD-UXHLAJHPSA-N 450.542 4.961 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 19926263 UGERDWRHDMUZGQ-LGUFXXKBSA-N 469.994 4.660 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 19937019 WGBINQLDMGZINR-VFCFBJKWSA-N 469.566 4.985 50 40 JJGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1OC 408756882 UVONKGIWKQQYBW-SDQBBNPISA-N 466.129 4.774 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 408888473 VTUZXAMGPQKKSN-LICLKQGHSA-N 485.412 4.721 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3)c2)c([N+](=O)[O-])c1 408889075 DHQYGEKUNBFGFX-XDHOZWIPSA-N 459.458 4.737 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccccc1 408895439 KNBAPOHUWDHUSM-XMHGGMMESA-N 456.454 4.548 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 409319384 FGTDRRHQNSYHPC-MYYYXRDXSA-N 492.444 4.633 50 40 JJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409362992 HZSUVMNZZIZQDA-LGJNPRDNSA-N 456.315 4.729 50 40 JJGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 726367 JUFYQVJYWYOYQQ-JVWAILMASA-N 488.500 4.563 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2349109 TWWQXVUZPWNEQW-SSXUBFHHSA-N 463.946 4.676 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC(=O)c1ccccc1 2727073 NXHKPHNRFFOEQF-AFUMVMLFSA-N 477.567 4.767 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1ccc(C(=O)O)cc1 9264670 PSOSAWMGIMOSHI-OGLMXYFKSA-N 469.497 4.527 50 40 JJGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19940208 DCYOBSSXIAHXMC-RVKKMQEKSA-N 458.914 4.936 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(C)c3)n2-c2ccccc2)cc1OC 31871129 MQFJCFRKZPCVOS-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)c1 33390056 OYHZCUKUCCSRPH-DHRITJCHSA-N 475.482 4.851 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OC)cc1 35147078 DDWKNWMIPWSTFB-ZHZULCJRSA-N 471.513 4.575 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)cc1 108895853 RRUJVKUEFQCKGI-ZMFRSBBQSA-N 484.325 4.678 50 40 JJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408756434 ZKNWZSHNSFSLOB-TWOFYEMPSA-N 457.877 4.506 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)cc1 408774916 DKQSWCFXEOMPQG-WGARJPEWSA-N 498.377 4.562 50 40 JJGB Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1 408880324 JILMDSXNPWEMOL-TWKHWXDSSA-N 464.521 4.600 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408892771 CWGXTSYXJWYNRR-MHWRWJLKSA-N 492.831 4.921 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(Cl)cc1 409267535 NKWQJIHZANIXQR-DHRITJCHSA-N 469.881 4.608 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409270945 SCLFBFXJRCTHKQ-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)cc1 3226515 KGYZQSAYRNWCCF-WPWMEQJKSA-N 489.553 4.509 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 8454610 FDAXBVJEFKKILH-JOCHJYFZSA-N 472.900 4.711 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1OC 28216807 RLACJZJVJPXDND-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB CCCCCCCCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100048665 KUIRRPRVQPZPJP-JJIBRWJFSA-N 456.499 4.935 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1 108144298 PKVZAUHZFSRBSW-LFIBNONCSA-N 465.868 4.748 50 40 JJGB CCCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 118913361 FBRAWBYQGRLCEK-NSUBCDAOSA-N 478.988 4.701 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408788357 CKEMJPFLVWJFDA-OVCLIPMQSA-N 477.742 4.899 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408797067 QVKGYMUWSJSXCP-VCHYOVAHSA-N 456.926 4.843 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1Cl 408806827 BNTNSEYWFFKPFT-NDENLUEZSA-N 477.948 4.766 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccc(OC)cc1 408926173 VSRZPUPFLDRIST-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 409222298 CBQUUKQOYZDJCY-LDADJPATSA-N 461.905 4.917 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1Br 409363151 TYMNXTJCLMNDFM-RPPGKUMJSA-N 457.347 4.866 50 40 JJGB COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)c1 1758954 SBNPYCUNHSAAHB-KAMYIIQDSA-N 476.470 4.818 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 3245004 BUDOYTUNTNSAND-YBFXNURJSA-N 476.558 4.640 50 40 JJGB CC(=O)N1CCC(=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)CC1 8454630 NKFPRMNBRJMFNK-UHFFFAOYSA-N 455.345 4.937 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C)c1ccc(Br)cc1 9108852 JAONIGTXUKSMSO-WSDLNYQXSA-N 478.803 4.531 50 40 JJGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1 9553739 VVEXODUTCUBMKL-RWPZCVJISA-N 473.598 4.543 50 40 JJGB CCOCc1c(C(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)oc2ccccc12 12515226 IEYYKXFXUXCHPW-UHFFFAOYSA-N 466.497 4.654 50 40 JJGB COc1ccc(-c2nnc(S[C@H](C)C(=O)NNC(=O)c3ccccc3)n2[C@@H]2CCCC[C@@H]2C)cc1 13150045 LVSBLSSDRBAPQJ-NJNPRVFISA-N 493.633 4.647 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1OC 16712324 UNJCGIHWNSQNGU-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4cccc(F)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558564 LIPQRZCSFZKOHF-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OC 28217654 WGQYGIVQLGWSAA-FSJBWODESA-N 463.397 4.714 50 40 JJGB CCCCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1OC 31776196 HPYTUPUAUSCOER-DNPFKWNUSA-N 463.372 4.863 50 40 JJGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087130 RMNFKBJGPPCGDW-OTJDAXFFSA-N 482.353 4.793 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1Oc1ccccc1[N+](=O)[O-] 59475429 AVSZJOXLESRGBW-YDZHTSKRSA-N 470.279 4.922 50 40 JJGB Cc1cc2c(cc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C(C)C 223595678 WOGAZQGBJPZGDY-GFEOOXAPSA-N 452.555 4.933 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408727773 XEHGLXFIQSYRJX-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408787832 GVFZVOKIDLEULL-OQLLNIDSSA-N 463.317 4.880 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409018581 NBZBHULGQYZRDW-FDVSRXAVSA-N 479.496 4.675 50 40 JJGB Cc1ccccc1CN(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409062797 AWNBNOIUKZRDJC-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3c4ccccc4cc4ccccc34)CC2=O)cc1 409157928 QPYZZEDAYRCDSO-OHPNAPQJSA-N 451.526 4.895 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 4391373 QWHKSTVKZWCEFN-VWLOTQADSA-N 499.571 4.927 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(O)c(Br)c1 8842913 JMRFFIPGBDHAML-GZIVZEMBSA-N 480.078 4.629 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccco1 9046853 FTVYGBITEURBIK-IWIPYMOSSA-N 496.390 4.922 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 12375415 SHOUOFBVBGYTHW-HXUWFJFHSA-N 471.561 4.650 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc([N+](=O)[O-])cc1 20760143 LNBRDKWMWQWCQP-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408606056 LFJCAZNCHKVWFH-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)ccc1I 408781738 DJHZAKNVMHRVAS-WYMPLXKRSA-N 475.305 4.910 50 40 JJGB O=C(N/N=C/c1cccn1-c1ccc(I)cc1)c1cccc(C(F)(F)F)c1 408964838 FGFIBFSTEQVKNV-WYMPLXKRSA-N 483.231 4.865 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CC(C)(C)CC2=O 409129903 MPXFYDXAEHSPNN-SANMLTNESA-N 471.601 4.957 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1cccc(F)c1 409131719 WOYLRKGRFDCEMS-HXUWFJFHSA-N 454.889 4.707 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1 409321379 HIWJGTFKFSZJLV-KRWDZBQOSA-N 455.967 4.622 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1[N+](=O)[O-] 2321230 GLHHHMMGQWJSMV-AWQFTUOYSA-N 479.996 4.634 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2412095 MMOGLMMRDQODTC-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 10002081 OCJFCWATUWGTGN-HQYUJTHISA-N 481.955 4.963 50 40 JJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 28213585 LYTZZMLVKLUZPG-KQBIVOJMSA-N 475.614 4.635 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccco1 59534052 KNZBBJSXFJUYLS-LICLKQGHSA-N 455.283 4.984 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 408591958 WTJGCFWJIBIGBE-DHRITJCHSA-N 484.350 4.503 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1C1CCCCC1 408743033 YSOCYSKYRHBZFO-WSDLNYQXSA-N 465.335 4.684 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cc2cc(Br)ccc2o1 408812699 PJGHRQPSWIUADL-KSEXSDGBSA-N 453.248 4.917 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1C 408904073 DHJUZDILAQAMOD-ZMFRSBBQSA-N 474.473 4.607 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C)c1ccccc1 408978459 IMINCOGXXSNPCC-QMFOPCRCSA-N 476.577 4.820 50 40 JJGB Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1421935 BRCHDWRAYVLGFF-SANMLTNESA-N 476.939 4.835 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 1790810 OUFVOXJZNMNXNY-BAACNHRGSA-N 497.201 4.667 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(Br)cc1OCc1ccccc1 33483170 IEEWQWGYFTVGEP-VULFUBBASA-N 496.361 4.759 50 40 JJGB O=C(N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(-n2cccc2)cc1 408544888 YGRZYAJSTSHNOS-DICXZTSXSA-N 452.470 4.535 50 40 JJGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)N1CCOCC1 408771331 HDLSUJLQKBNDPQ-ZROIWOOFSA-N 481.814 4.825 50 40 JJGB COCCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 408811568 LQMLAFRVJKTGLE-VIZOYTHASA-N 469.752 4.904 50 40 JJGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1 408830552 SFSIZLGYTUJDAP-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408872240 BRLJGWVXYSYFEK-GZTJUZNOSA-N 488.325 4.973 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 408979114 LKJWWYKYODLOBG-RQFMOZSRSA-N 490.516 4.501 50 40 JJGB COc1cc(C(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)ccc1I 409010119 DKQCRDVFJMMXQF-FMCGGJTJSA-N 493.732 4.816 50 40 JJGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)o2)cccc1[N+](=O)[O-] 409152689 FZTXIUIKDNYKEI-XFBJJFJZSA-N 482.924 4.721 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)n1 409228484 ZCHRPGGHEHQDHM-RPPGKUMJSA-N 463.994 4.992 50 40 JJGB O=C(N/N=C/c1ccccc1Cl)c1nn(Cc2ccc(Cl)cc2)cc1Br 1088946 MDCUTNWCONMBMQ-LSFURLLWSA-N 452.139 4.765 50 40 JJGB CCc1ccc(NC(=S)NNC(=O)c2sc(=S)n(-c3ccc(CC)cc3)c2N)cc1 3026965 VBWRCRDEDZZESO-UHFFFAOYSA-N 457.650 4.607 50 40 JJGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1 4521987 IZWDIYNVNWCYMU-YZSQISJMSA-N 465.575 4.557 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 10059328 VKYYRXMWZSZMBK-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(Cl)c1 16248220 SKYYAZCACVTRPA-CVKSISIWSA-N 465.962 4.563 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 408841954 MMXNYPPKFDQIBK-CVKSISIWSA-N 490.412 4.901 50 40 JJGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408990671 YAUAIZBLEKYTLZ-AUWJEWJLSA-N 463.715 4.508 50 40 JJGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 713889 QVCXUXOCZXJUKT-OPEKNORGSA-N 457.269 4.705 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1C 8722479 ZZIGNTVTLRXHHT-JVWAILMASA-N 459.571 4.526 50 40 JJGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1cc(F)c(F)c(F)c1F 9120614 AKUDZRZMNVFVPW-NTEUORMPSA-N 486.425 4.853 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 9379940 JWTLMKKZAPIXHX-CFRMEGHHSA-N 478.405 4.913 50 40 JJGB COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 9972783 ZHOHDWKEQMJWLG-LDADJPATSA-N 491.931 4.920 50 40 JJGB CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 16806574 WJAMFOFBMMSDLD-MYYYXRDXSA-N 471.520 4.727 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 19953203 ANKPPZIUDBCXIJ-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(F)cc1 22819988 VCOQUUAEAGUORQ-HXUWFJFHSA-N 499.340 4.816 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 28214545 XSRBBJQZZBBMSG-CSWGWEJPSA-N 461.587 4.785 50 40 JJGB COc1ccc(-c2cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc3n2)cc1OC 31717440 MQZAGTSPUVMGBW-DICXZTSXSA-N 470.485 4.900 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 58913046 WRWVACPMQMVUKC-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 408772833 RROLTEIFADZXBQ-OEAKJJBVSA-N 456.395 4.727 50 40 JJGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccc(C)cc2)cc1 408774964 DUEHVNAIKXOBSW-XAYXJRQQSA-N 493.629 4.714 50 40 JJGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1O 408844498 JOLASXNQTOYKGM-YHYXMXQVSA-N 489.096 4.858 50 40 JJGB COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1OC 408873249 POUZLJPDEQAOQQ-LQKURTRISA-N 465.937 4.692 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)c([N+](=O)[O-])c1 408894582 JRKSXEJCBNPFAB-LICLKQGHSA-N 485.412 4.721 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(F)c2)cc1 408894605 JUKAZXKPDIOJKA-DEDYPNTBSA-N 460.461 4.746 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408982309 GLDYMAGQDYUEAR-NVNXTCNLSA-N 459.727 4.977 50 40 JJGB COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)ccc1OCc1ccccc1 409007495 WWEHYFVMXHURJF-NDZAJKAJSA-N 485.584 4.585 50 40 JJGB Cc1ccc(C(=O)NNC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C(C)(C)C)C4)cc1 933063 XDONIQLSEVQXPH-INIZCTEOSA-N 468.648 4.704 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccc(C)cc2)cc1 1828404 HJUDQPVKPSRLOT-PDSJQLAYSA-N 473.558 4.752 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OC)c(COc3c(F)c(F)cc(F)c3F)c2)cc1 15933929 KRAXBZCIHBHHCS-FXMZOFOKSA-N 462.399 4.603 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(F)c3)nnc2-c2ccc(C)cc2)cc1 30742815 DOWQWAFBEMIUAM-DICXZTSXSA-N 475.549 4.633 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)ccc1Cl 33733367 NGSHBAIOFMFDJB-STBIYBPSSA-N 488.927 4.773 50 40 JJGB CCOc1cc(/C=N\NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Br)cc1 33923720 RLMRQHWBIVDXPU-QRVIBDJDSA-N 463.328 4.926 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Cl)cc1 408542359 LEJRLZFSNYVFJM-ODLFYWEKSA-N 489.915 4.910 50 40 JJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408779109 RHWYFMSRFDLYFT-YMBZCIPESA-N 461.587 4.574 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 408816267 LAOBGPHHQSFFGP-ODLFYWEKSA-N 464.909 4.888 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408963380 ZFHYRTALSIBCDO-VULFUBBASA-N 474.473 4.689 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 409173803 KJSSOARKYHGCNB-FUSDPXDGSA-N 465.912 4.561 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409266954 SNXDBUYVFXJWBW-CIAFOILYSA-N 489.959 4.898 50 40 JJGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888929 IDNQIUZWKCILIZ-IEQIIXMPSA-N 485.584 4.919 50 40 JJGB COc1cccc(COc2ccc(OC)cc2/C=N/NC(=O)COc2cccc(Br)c2)c1 3174393 FLNKSPVYNYRCQI-VULFUBBASA-N 499.361 4.574 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(O)cc1 9358117 PIPXYWYDWVPSOF-CIAFOILYSA-N 465.025 4.822 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3cccc(Cl)c3)cc2)cc1 28213750 PIKDJPPMZGHORY-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 408886998 KTQKFOBZDDDQLU-RCCKNPSSSA-N 470.481 4.637 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)C2=C1CCCC2=O 409135294 UGDXBSPMMITAKO-QFIPXVFZSA-N 464.363 4.758 50 40 JJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409226616 VNUDQKXKYGRAAG-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)[C@@H](O)c1ccccc1 409364885 NRCRIBBGUCRSBC-LHXREVONSA-N 473.754 4.865 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)cc1C 8916236 QLZDHVSOSGHKKM-BRJLIKDPSA-N 494.400 4.787 50 40 JJGB CCOc1cc(C(=O)NNC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 9908190 FKSDBJFOEXNDAS-KRGUIMPISA-N 489.682 4.597 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1OC 16688942 XDAYDZCGUSHJEB-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Cc3csc(-c4ccsc4)n3)cc2)n1 22061155 XXSBFBBIWVCESX-UHFFFAOYSA-N 495.655 4.574 50 40 JJGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 22752714 XYTCVPLJYCGJNV-BGYQVPDLSA-N 493.947 4.937 50 40 JJGB CCc1ccccc1NC(=O)CSCc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 27233179 IWOBSLYCAZNAIR-OAQYLSRUSA-N 479.993 4.716 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)c1C 33429529 FYWXARONAGYWPW-WDZFZDKYSA-N 471.092 4.809 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 59101858 DUWXVVQSBZSCKI-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1Cl 59333180 JJUDHIQOSFBTLW-CYVLTUHYSA-N 475.932 4.642 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(O)(c1ccccc1)c1ccccc1 408747996 WTXDGNCIKAUQSV-JVWAILMASA-N 475.888 4.894 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(OC)cc4[N+](=O)[O-])c3C)cc2c1 409186415 BUKKJJCEAKMRFR-WGARJPEWSA-N 476.489 4.920 50 40 JJGB COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Br)c1O 2675566 GOEHEJSUSCBUOS-LSHDLFTRSA-N 476.154 4.779 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c1 8811063 MVJWBJDMYFBVCT-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C(O)[C@H]2C(=O)OC)cc1 10007424 NEIMBNCHOQELHE-SFTDATJTSA-N 499.976 4.689 50 40 JJGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cc(=O)[nH]c2ccccc12 16047213 UXPHZRMUERFREN-FJEPWZHXSA-N 493.441 4.771 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2Cl)Cc2ccccc2)cc1 59444251 HCXUTNNRDBBWKB-VULFUBBASA-N 490.412 4.643 50 40 JJGB COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 109044120 NKTSEAMZHRVYEZ-JXAWBTAJSA-N 461.905 4.912 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 408758846 SIDGKTHDMJDVOQ-XSFVSMFZSA-N 485.452 4.536 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408897123 VWFWYBPXGKEZDY-WPWMEQJKSA-N 470.485 4.737 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 409138549 DNNJWLORDGXYEI-HSZRJFAPSA-N 494.389 4.767 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC=C)c(OCC)c2)cc1OC 409310838 WXOBKFIKIQKPJM-MYYYXRDXSA-N 489.366 4.750 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccco3)nnc2-c2ccccc2)cc1 9357084 JINUGXWKXULKAD-UQQQWYQISA-N 461.547 4.559 50 40 JJGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 12137138 VHBKIYIYKPUHSG-VQTJNVASSA-N 454.526 4.889 50 40 JJGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 12251112 MZTMRGPMFSDBTB-MRXNPFEDSA-N 471.336 4.577 50 40 JJGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 12659510 DMNQWVPNDJGDLD-UHFFFAOYSA-N 486.579 4.960 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247168 NCCMLMQGTVEWLF-DXPRYJPLSA-N 494.414 4.987 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 33858919 LLJUDRBPKVJERZ-MUFRIFMGSA-N 471.488 4.769 50 40 JJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Br)[C@@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118927296 ZRFUNSREDKBRDI-QGZPSTLZSA-N 453.417 4.574 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)cc2)cc1 408764580 XOFKUECPGMBTMO-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408775516 TXRMUWBZNCLTDO-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 408880951 JMSLWWMEBWMLMV-XMHGGMMESA-N 457.442 4.677 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(F)c1 408965398 GVUDIYKZTYOUGE-KKMKTNMSSA-N 470.273 4.942 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 409193185 DVWYTGVDVGGXMJ-MHWRWJLKSA-N 451.276 4.661 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(OC)c1OCc1cccc(C(=O)O)c1 409373284 PRWRJVIZCIGDNE-MUFRIFMGSA-N 484.508 4.898 50 40 JJGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccn2)c1Br 779708 FBJHKUITSHYGLV-LSFURLLWSA-N 469.177 4.568 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 2101770 HFYGTMFGEDTQGP-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 10060124 ANEWKAAHYTXOIX-VULFUBBASA-N 481.892 4.938 50 40 JJGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 12564931 IASZJGXMYJMJFJ-HYARGMPZSA-N 460.917 4.929 50 40 JJGB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 16490892 XJKPUXBVCOVKJC-VFCFBJKWSA-N 491.613 4.953 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)cc1 33349518 SBHOPAOKIYVZNB-RHANQZHGSA-N 469.541 4.953 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 33404288 CKBRLHHOZVTAED-STZFKDTASA-N 485.540 4.884 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C 59333285 RRVMUBFJPWPCSN-XLNRJJMWSA-N 492.417 4.998 50 40 JJGB COCC(=O)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 59474770 BNWGNRHHWJHWLI-OGLMXYFKSA-N 497.580 4.852 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCc1ccc(F)cc1 100214924 NBGMNDJAHBQDGK-QHCPKHFHSA-N 482.467 4.554 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(I)c1 408745286 QVAAUNSDADCJAO-SDQBBNPISA-N 483.103 4.613 50 40 JJGB N#C/C(=C/c1ccc(I)cc1)C(=O)Nc1cccc(Br)c1 408763902 PVGORLXPEDHGHT-WQLSENKSSA-N 453.077 4.599 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)c2C)cc1C 408830501 SCLBJHOOLKFEHH-LQKURTRISA-N 494.661 4.751 50 40 JJGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)c1C 408844927 XFMHLMHSAAPEQW-NDZAJKAJSA-N 454.618 4.694 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408894863 JMFRJOGQFSAHHI-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB COc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccc3c(c2)OCO3)cc1OC 1743654 WDBSXGYFCYFDON-IRXDYDNUSA-N 472.129 4.515 50 40 JJGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3213839 JYKGQTOSMZHTNM-LGJNPRDNSA-N 481.883 4.924 50 40 JJGB O=C(N/N=C/c1ccccc1Br)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3215952 MHLHDBGXPASVMF-YDZHTSKRSA-N 492.782 4.667 50 40 JJGB CCc1ccc(-c2nc(C(=O)NNC(=O)NCc3ccc(COCC(F)(F)F)cc3)cs2)cc1 8768413 UEFNTBNDTMSCSQ-UHFFFAOYSA-N 492.523 4.596 50 40 JJGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C(\C#N)c1nc2sc(C)c(C)c2c(=O)[nH]1 9439501 CZDJFEFGMLXZQF-QGOAFFKASA-N 456.575 4.760 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 12374557 QRKKDXROISCENU-WZUFQYTHSA-N 470.106 4.765 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1 59101675 VKPKLKKOGQWGTE-MZJWZYIUSA-N 469.900 4.546 50 40 JJGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 107891276 RYXKUNKGZHTSFB-UYRXBGFRSA-N 478.508 4.728 50 40 JJGB COc1cc(I)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408735649 VRDLVMOENJLZSZ-NTUHNPAUSA-N 482.705 4.816 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc2c(c1)OCO2 408811375 VJGKDUKEMJKTQF-KLERRNOESA-N 462.546 4.995 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1)c1ccccc1 408982848 ZMFMQKYDIPGOPC-WWUWQWKFSA-N 493.535 4.741 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC)c(I)c3)cc2c1 409184883 OULWSNHXPTUYET-UUYOSTAYSA-N 478.286 4.599 50 40 JJGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1436476 KBTPEWWOTLYDCN-OAQYLSRUSA-N 453.420 4.739 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccncc1 9041260 QZHFNQCYTMGCNL-QQXSKIMKSA-N 462.966 4.615 50 40 JJGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccccc1OCc1cccc2ccccc12 9489286 PYFGBVHGRYMVEG-RDRPBHBLSA-N 452.510 4.883 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)c1 13174460 IQFGYYMWSOXAAV-OAQYLSRUSA-N 451.573 4.558 50 40 JJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(C)c1 20194401 HYLKMXZHRXANSC-FSJBWODESA-N 456.296 4.927 50 40 JJGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 409217553 PYZGTTPDXPQUGN-JCMHNJIXSA-N 453.498 4.645 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)n1 409229292 MSTSLXYNCJTTLJ-RPPGKUMJSA-N 478.647 4.555 50 40 JJGB Cc1ccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 878002 AYKQVQYKQABTNT-UHFFFAOYSA-N 462.962 4.812 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(SC)cc4)CC(=O)N3C2)c(OC)c1 2208672 OOBHWHIREXBVLK-GOSISDBHSA-N 453.589 4.645 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(I)o2)c1 9261778 MVMWDASXAYIOGA-UXBLZVDNSA-N 457.065 4.501 50 40 JJGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(/C)c1ccccc1 15930399 OMQAVHNDFJYOMB-LYVYQLNUSA-N 469.014 4.751 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cc(C(=O)O)ccc1Cl 59333128 PXQQCBHHSFCFMQ-JCMHNJIXSA-N 488.975 4.702 50 40 JJGB CN(NC(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1)c1ccnc2cc(Cl)ccc12 104301836 CSGFWVQUUMEHMU-HZHRSRAPSA-N 472.932 4.532 50 40 JJGB O=C(N/N=C/c1ccccc1Cl)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408733683 ZOBLKYAYNJCEDZ-UVHMKAGCSA-N 462.962 4.743 50 40 JJGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408904606 MCKFTHPQMFXLPB-ROTLSHHCSA-N 460.446 4.519 50 40 JJGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408914874 YIUOWXXSKWXWHY-RASHHNMQSA-N 484.350 4.517 50 40 JJGB Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)c1 1435077 FFIDCVATUFBPPK-AFUMVMLFSA-N 467.319 4.506 50 40 JJGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N/NC(=O)c1ccc(Br)cc1)c1ccccc1 16607337 ULIMJOYTFZZVRI-PCOHFRABSA-N 475.346 4.622 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 408610950 PCTGZSBEJQLEJP-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408739792 FSGQWKHWDBYRII-SXGWCWSVSA-N 476.168 5.000 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 408761786 BMKYHARFDGJNNB-AFUMVMLFSA-N 466.335 4.539 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 408899211 ZWUPSZGSAVYNCA-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(C)c1 408906796 KNOPRZOPIZDLFS-OGLMXYFKSA-N 491.544 4.972 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1Cl 408937465 JKAGDDRUIBCJHX-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1cccc2ccccc12 409036767 BHRFPXVJTLLJGB-LKRWSQIDSA-N 462.505 4.933 50 40 JJGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409197752 OBQHMHICPNWZCN-RCCKNPSSSA-N 465.509 4.672 50 40 JJGB Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1C 409262122 FIDGRJALONVMIC-NDENLUEZSA-N 470.485 4.775 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 857434 CUPUGSMGMRWPKH-QFIPXVFZSA-N 454.910 4.572 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1O[C@H](C)c1ccccc1 8861555 QKZHLXWJOGAVFO-LJGKHRNASA-N 456.593 4.628 50 40 JJGB COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1C 10021679 VJRKWLIPNQIWSF-MFKUBSTISA-N 473.573 4.551 50 40 JJGB N#CC(C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)=C1Nc2ccccc2N1 12979580 OHFRQNKVOJQNMC-UHFFFAOYSA-N 464.821 4.507 50 40 JJGB CC/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(O)cc1 13563255 PCJPJSPFQADDOH-ROMGYVFFSA-N 457.559 4.663 50 40 JJGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2Cl)C2=C1C(=O)CCC2 13567772 GDAQQPOASHEZLU-DEOSSOPVSA-N 465.340 4.713 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 16679981 MUVCEFAVVNPEHZ-VCHYOVAHSA-N 488.521 4.931 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 20244117 NGVDJGOXNQUHIS-OGLMXYFKSA-N 459.546 4.774 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccccc1 23741045 YDHXKRQKHBEBEB-VULFUBBASA-N 468.351 4.599 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58914182 CKCIKBOFOZFPRB-VYYCAZPPSA-N 457.361 4.558 50 40 JJGB O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)Nc1ccccc1F 408606777 AYAOCKXPFBVGCM-LUOAPIJWSA-N 478.282 4.939 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCC(=O)OC 408792046 GZQKGXXUNYBWKG-LICLKQGHSA-N 487.350 4.508 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 408831768 RXJHTKXDIKSGHR-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1Cl 408862372 HAHHMOBMYKFFBI-GZIVZEMBSA-N 471.753 4.851 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409261451 CBOBGNNKTPSWPA-OEAKJJBVSA-N 469.541 4.553 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 409326486 KUMQUFWCANJMIA-WGARJPEWSA-N 454.910 4.709 50 40 JJGB CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 714340 PQVUSVXUGQCLFW-HXUWFJFHSA-N 451.324 4.560 50 40 JJGB CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3ccccc3C(F)(F)F)cc2n2ccccc12 1398673 CGEFEKBCYCSJGL-IPPBACCNSA-N 483.446 4.817 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887993 JKPHDDATYPIXDW-YDYXIROLSA-N 484.537 4.968 50 40 JJGB CCOc1ccccc1NC(=O)[C@H](OC(=O)/C(C#N)=C/c1ccc(OC)cc1)c1ccccc1 3245698 IIDAHTOAZUJDNH-MXTHXHGZSA-N 456.498 4.924 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)c(OC)c1 8566682 CXKOEPSWYYBPLS-XMMPIXPASA-N 480.524 4.891 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)c([N+](=O)[O-])c1 10118425 LWNSNTOKRWHYAZ-SRZZPIQSSA-N 475.242 4.532 50 40 JJGB Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 13239260 XYXXKVMZFIPPNK-AFUMVMLFSA-N 459.531 4.544 50 40 JJGB C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567733 WMPLKZKJMABCBS-HHHXNRCGSA-N 470.960 4.640 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C)o3)nc3sc4c(c3c2=O)CCCC4)cc1 28352353 DKSKLLVJEGYLEU-ZMFRSBBQSA-N 492.626 4.778 50 40 JJGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)c(Br)c1 30902113 MCAMIKLBGJWCNN-WGARJPEWSA-N 481.346 4.814 50 40 JJGB N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1cccc(Cl)c1Cl 59336596 BKCUFTKCWPQJRZ-WDZFZDKYSA-N 470.106 4.765 50 40 JJGB C[C@@H](C(=O)C(C#N)=C1Nc2ccccc2N1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 96305647 QNYCFWCOQLUIQI-IBGZPJMESA-N 499.565 4.902 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1 408765192 KOSTUMQLDPZQAB-HMMYKYKNSA-N 462.527 4.707 50 40 JJGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Br)cc1 408877946 YVDADEZXEKTSQZ-VGOFMYFVSA-N 480.156 4.582 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408880518 IDDVCEVNIKMYRA-MDWZMJQESA-N 468.809 4.971 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC2CCCC2)cc1Br 409192158 VBBGKQUMVBUNBG-MDWZMJQESA-N 454.162 4.742 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409317772 VODXCFCGYFKABS-MXAYSNPKSA-N 469.881 4.608 50 40 JJGB COc1ccc2nc(/C(C#N)=C\c3cccc(OC)c3OCc3cccc(C(=O)O)c3)[nH]c2c1 409391836 LUCYTSGNXHRGNE-UNOMPAQXSA-N 455.470 4.921 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1 1788478 LOVSJNZJWPWGPE-VGOFMYFVSA-N 457.143 4.564 50 40 JJGB O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cn1 4082453 IXDOQVAYQSZQFD-OPEKNORGSA-N 478.306 4.519 50 40 JJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1 8687101 IUXJEXGEWOOMJH-DEDYPNTBSA-N 452.514 4.713 50 40 JJGB Cc1nc(C)c(C(=O)N/N=C/C=C/c2ccccc2)cc1C(=O)N/N=C/C=C/c1ccccc1 9035618 HLQDVAVUBDKUEJ-GJOITGIQSA-N 451.530 4.556 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(C#N)cc3)c3ccccc23)cc1 408711673 FEXRCSQAFCDBHC-UXHLAJHPSA-N 450.542 4.961 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(F)cc2)cc1 408776285 YGVFQLITKAYQPA-OGLMXYFKSA-N 475.545 4.633 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 408834363 YCICTIXCRDKXDD-MFKUBSTISA-N 488.034 4.716 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)c3cc(Br)ccc3O)c2c1 409063300 KFODHJBLNIOBEE-ZMOGYAJESA-N 457.324 4.869 50 40 JJGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 409218390 IOTQENBGTIABCQ-UHFFFAOYSA-N 467.481 4.823 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)c1 409255060 GXVBAYHVHQCDED-WGARJPEWSA-N 496.361 4.548 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)ccc1OCc1ccccc1 409323695 PDWHYVRBYNMGTQ-VYYCAZPPSA-N 482.920 4.545 50 40 JJGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)ccc1Cl 2425727 FVHPLBXCOOBPKU-SAPNQHFASA-N 462.937 4.805 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1 4761492 JFGMPCRTQNLLDX-VWLOTQADSA-N 489.597 4.764 50 40 JJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2I)c1C 9201457 CZFODZOOWJQCNH-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 13806187 CYWGOFIDFSDBQS-CJLVFECKSA-N 471.538 4.696 50 40 JJGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 28214148 UYLNTZPIUIGTIL-CIRUFVMISA-N 467.978 4.988 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cc(Cl)ccc2C)cc1 408773038 OYJCTLDPHBXIFD-CVKSISIWSA-N 469.994 4.611 50 40 JJGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408874368 BRMBTLGYHOTAJO-NTUHNPAUSA-N 497.130 4.998 50 40 JJGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O 409003800 UZPPGJYAXCDORF-TYMFOYGHSA-N 464.319 4.571 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2cccc(C)c2)cc1 409063745 MONNRWHIDZJXBT-RDRPBHBLSA-N 491.657 4.942 50 40 JJGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 409309456 HOFWBLAOQDDMFA-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(Br)c2)cc1OC 409316921 RQVQSCXCVDEPCQ-JJFYIABZSA-N 498.171 4.558 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 1768677 ZGWWSARDMCQZON-MFKUBSTISA-N 451.596 4.514 50 40 JJGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1 3162808 BJSHZVKSKOLREP-OEAKJJBVSA-N 477.359 4.513 50 40 JJGB CCC(=O)NNc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 6461897 XEHGBPSKTVFUKC-UHFFFAOYSA-N 456.590 4.764 50 40 JJGB N#C/C(=C/N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1 8665207 FZLJHFNLNQKFRB-IWACSMKYSA-N 450.526 4.970 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccs1 9668343 NHQLVNANHQPREC-YDZHTSKRSA-N 473.348 4.892 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20232581 NOVATZSLMRVLAE-MTDXEUNCSA-N 491.613 4.598 50 40 JJGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 38268151 YEXSDQJWSVTYMB-LXOISUBHSA-N 458.606 4.890 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c(C(=O)OCC)c1C 108970728 HIWXFAXFGITNGH-RGEXLXHISA-N 480.586 4.729 50 40 JJGB COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409217760 BFWRAIVDMJGUKV-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB COc1ccc2c(c1OC)[C@H](C(Cl)(Cl)Cl)N1CCc3cc4c(cc3C1=C2C=O)OCO4 1582945 SKLGUSDGDGKUHE-OAQYLSRUSA-N 482.747 4.783 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)c(OC)c1 2338839 MBUYQZVFSPEXDI-KRWDZBQOSA-N 486.391 4.686 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 8860730 XEOHMMIFXCPEHV-DHRITJCHSA-N 493.368 4.842 50 40 JJGB C/C(=N/NC(=O)c1c(O)ccc2ccccc12)c1cccc(NS(=O)(=O)c2ccccc2)c1 22567047 DQIOTOJFYCGEFX-ONUIUJJFSA-N 459.527 4.500 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 28911831 FVXNSWAOSIFMNB-RLGUWMIQSA-N 458.917 4.659 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 34798985 QLMQJXQYMMAIOC-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C#N 408545959 AOXZRDAZFDRVHM-CXUHLZMHSA-N 497.370 4.598 50 40 JJGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676074 DOTVVHJXPBODNW-JZCUADNKSA-N 474.399 4.999 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2c1 408781591 CPBREUYMWRHLIX-VRLIBYITSA-N 451.530 4.845 50 40 JJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c1 409003385 ZUNXOWVXTBCFAL-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB COc1ccccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1 409015627 STOPOYGZXDEXAO-AWQFTUOYSA-N 499.102 4.572 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc(C(=O)O)c1 409189229 NCQIJQMAUMAGIU-ZDLGFXPLSA-N 499.361 4.701 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 409215026 ZIARERAERGQAOH-VULFUBBASA-N 467.978 4.908 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)c(C)c1 409253250 FIFCOCVMXZGOOS-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)cc1O 716430 DFOIXYTXEXPFMC-NRFANRHFSA-N 484.325 4.607 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccccc1O 3117577 BBEMITVLPFRDBY-JVWAILMASA-N 482.521 4.599 50 40 JJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1 12375992 YYOBCMDPFNCHHM-NTFVMDSBSA-N 474.900 4.684 50 40 JJGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 14166176 HFLGUIOVGLWPLB-VULFUBBASA-N 467.978 4.908 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 19926453 IALVAUFNIAVOLL-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240435 NKXSDLUJORUHIS-MTDXEUNCSA-N 491.433 4.531 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33663390 VCNUKHZUEOPZPQ-RPPGKUMJSA-N 485.993 4.915 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccc(Br)cc1 59248929 UGYQDKZESJHFIB-WSDLNYQXSA-N 477.156 4.775 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 59410730 XGBFYVAINBLUIE-LGJNPRDNSA-N 487.325 4.948 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108245147 DHPOYWWGHWJBLG-MOSHPQCFSA-N 459.571 4.956 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2 408768944 MPDDOSWZUZNDHE-IDUWFGFVSA-N 487.350 4.587 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 408807588 DFHHVEZRKMYRDM-CAPFRKAQSA-N 471.513 4.657 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 408897860 UINVEYPKVOMAHO-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 409017876 WBGGLVBDZQGVJT-LGJNPRDNSA-N 472.328 4.783 50 40 JJGB CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I 409021514 LDBNXNXGOJSSHS-FBHDLOMBSA-N 468.678 4.853 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1 409241944 PKETUNTVARWGRJ-WGARJPEWSA-N 471.326 4.869 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccc(C)cc2)cc1 1288488 RKEFBVMEBGVSKL-AFUMVMLFSA-N 477.615 4.864 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 1762253 YLEUBPFHZWPVAF-AWQFTUOYSA-N 479.996 4.634 50 40 JJGB COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccc(C)cc1)c1ccccc12 20558558 HXWVDUREHYCMAD-XMMPIXPASA-N 485.565 4.530 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)cc2)cc1 28213681 LKZKPLKJFCCHHR-RWPZCVJISA-N 491.613 4.713 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 35175558 ZTDSDFPAYDCWOE-MLPAPPSSSA-N 460.715 4.903 50 40 JJGB Cn1c(C(=O)NNC(=S)Nc2ccccc2)ccc1-c1cc(C(F)(F)F)ccc1Cl 67300036 AAHJOAKZJLGYKK-UHFFFAOYSA-N 452.889 4.996 50 40 JJGB COc1cc(C(=O)OCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)ccc1OCCC(C)C 97994185 GQFVKUIUBXKLLC-HKOYGPOVSA-N 466.559 4.823 50 40 JJGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408607536 DNQKZADPDGTBBP-JFLMPSFJSA-N 465.937 4.579 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(Br)c2)cc1 408795193 LNZKSLJMUWUGAJ-RIYZIHGNSA-N 475.140 4.968 50 40 JJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 408813264 MSLQICQNXKKHGE-RGVLZGJSSA-N 472.497 4.866 50 40 JJGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Br)cc1 408841505 HISXWYVFADCPGI-YSURURNPSA-N 483.313 5.361 50 40 JJGB CCOc1cccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 408860684 BRQZNUBMFVIGPU-AUEPDCJTSA-N 481.361 4.597 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1O 408999932 WGQMATVAIOSSBZ-BRJLIKDPSA-N 458.301 4.724 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 409211757 ODHXXRWOPGAEDV-DHRITJCHSA-N 454.935 4.860 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409271774 MZAZARYQLAVNMO-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CCCC3=O)cc1 705509 MRVRSFAICJEVAO-NRFANRHFSA-N 450.336 4.762 50 40 JJGB CCOc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc2ccccc2c1 9311389 HRZSDUVRJVCDQS-VULFUBBASA-N 466.335 4.944 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccccc1Cl 16712252 FNCKVQRURBZCCE-PKAZHMFMSA-N 476.993 4.924 50 40 JJGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1Cl 18194377 GYVOBKDSCFAWNH-CVKSISIWSA-N 465.962 4.563 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 20232597 XXMSWTILPSJFTQ-MTDXEUNCSA-N 493.629 4.822 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccn2)cc1COc1ccccc1Br 20258637 QUTZGRPAEKLNCM-PDGQHHTCSA-N 478.346 4.655 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1ccc(Br)cc1 33360465 DYSATZMXVJCICY-MYYYXRDXSA-N 492.402 4.939 50 40 JJGB O=C(NNC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 34967017 BBPQZZCUTVHAKV-UHFFFAOYSA-N 468.749 4.856 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 408612709 XGXZOQZRFFSWGL-STBIYBPSSA-N 493.535 4.681 50 40 JJGB C/C(=N\NC(=O)CSCc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1 408724991 COINSTLEDFZAFB-YZSQISJMSA-N 462.531 4.621 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408778890 ZDBQLAHEUNUDKW-RNRUYRHZSA-N 457.877 4.506 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)c(C)c2)cc1 408858013 IFNKTUQSMKUONY-LQKURTRISA-N 477.630 4.883 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c([N+](=O)[O-])c1 408884123 XUAJVYDPBJZHRO-LDADJPATSA-N 472.413 4.576 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)ccc1O 720228 DGAGNBWZMKUDHH-NRFANRHFSA-N 451.473 4.620 50 40 JJGB O=C(O)c1cc(Br)cc(SSc2cc(Br)cc(C(=O)O)c2O)c1O 1571341 GKQXDQUJKZJORV-UHFFFAOYSA-N 496.154 4.819 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nnc2-c2ccc(C)cc2)cc1 1816668 PXKDRMDPAOETAU-JFLMPSFJSA-N 475.549 4.633 50 40 JJGB O=C(CCC(=O)Nc1cccc(Br)c1)NN=Cc1ccccc1OCc1ccccc1 8398814 RXELCXBWTXGIPG-UHFFFAOYSA-N 480.362 4.897 50 40 JJGB CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4ccccc43)c(-c3ccccc3)nc12 9009765 SASRQLIRHIXTBL-UHFFFAOYSA-N 476.540 4.842 50 40 JJGB CCCCN1C(=O)CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1OC 57960477 IDYDNJFYDLRNCJ-SIKLNZKXSA-N 463.500 4.937 50 40 JJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c1C 58913085 PAPBXAYNQMGXBV-DHRITJCHSA-N 467.367 4.562 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CSCc2ccccc2)cc1 58916016 MNBNZTIEQYGPAM-WPWMEQJKSA-N 490.585 4.629 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 59101899 ZQJPUBFVNHCPFZ-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB Cc1cc(N2CCCC2)c(C)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408570017 RNMWSZHVCDTRPH-MFKUBSTISA-N 455.649 4.911 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408724453 AFZBYNVGHFYRBU-WQRHYEAKSA-N 474.429 4.636 50 40 JJGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408827172 GFPIGDCEMUCYIV-TWKHWXDSSA-N 469.585 4.676 50 40 JJGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)c(OC)cc1Cl 408829374 NSQSZPRTILJAEU-WUXMJOGZSA-N 451.704 4.674 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(O)c1 408841722 KBIDHUVMQZJPSR-UVHMKAGCSA-N 491.539 5.150 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC(=O)c1ccc(C)cc1 408894834 JEMHKSFSQIMGQD-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408925344 RDVGBFNRBXXLLX-QGOAFFKASA-N 495.944 4.612 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408962248 XQNJJXOWZFLFJF-MUXKCCDJSA-N 456.420 4.675 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1OC 9110057 AKIADRAATNKKQT-HXUWFJFHSA-N 487.581 4.958 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 9160742 NDDVNMBYRUPVLD-MHZLTWQESA-N 479.927 4.649 50 40 JJGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 9375341 AOWUGFZAAONOQI-ZVHZXABRSA-N 471.355 4.878 50 40 JJGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1O 9948899 WYFBFCCRWKMDEK-QPJQQBGISA-N 452.121 4.934 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(SC)cc3)nnc2-c2ccccc2)cc1 16226370 ZNXGNHMKMNSKGR-WGOQTCKBSA-N 489.626 4.907 50 40 JJGB COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1O 18193809 XMUZRKFMNJPFJL-LSHDLFTRSA-N 484.188 4.987 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2Cl)n1C)c1ccc(Br)cc1 28467761 GERINRLDSKHPGY-UUYOSTAYSA-N 478.803 4.531 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2)C2CCCCC2)c(C)c1 35044948 GLBIJXIOPQEDPC-YSMPRRRNSA-N 476.042 4.739 50 40 JJGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 35418922 OEIUCEBIXYUCLP-RGSZASNESA-O 454.550 4.705 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C3=CC[C@@H]4C[C@@H]3C4(C)C)cc2)cc1 102980895 PUTMZEMQPVKZET-YCXFWFFPSA-N 467.591 4.594 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C 408587676 GQXGSRNAYKAPBY-FSJBWODESA-N 471.311 4.537 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 408798156 UZOSHJOYLFLOMZ-LICLKQGHSA-N 487.350 4.644 50 40 JJGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccco3)cc2)c1 408842883 KGEOSNOFIGQWPP-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 408999323 USAYNRGCOXDZMG-JLHYYAGUSA-N 454.313 4.720 50 40 JJGB Cc1ccc(-n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)c(C)c(C#N)c2=O)cc1 409059285 MBYAXQPLHDPXIW-LJUMEUDFSA-N 471.520 4.791 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OCC 409315919 OYJDWIRVPZUQOV-MIXAMLLLSA-N 487.556 4.740 50 40 JJGB C[C@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)N(c1ccccc1)c1ccccc1 9850384 RVDFULXYWNHQNV-GOSISDBHSA-N 494.389 4.991 50 40 JJGB CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)c2cc(=O)[nH]c4ccccc24)c1O)CCCC3 13303332 SJTDQZHUSQEZAH-CCVNUDIWSA-N 457.530 4.920 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c(C)c1 15231350 VHJWIYQWNNLRAL-XODNFHPESA-N 457.452 4.972 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2C(F)(F)F)[C@H]2CN(Cc3ccccc3)CC=C12 19805131 YNUFZUOVLAFMFA-JTHBVZDNSA-N 459.475 4.631 50 40 JJGB CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 20558487 WNDZPJGSLFFJME-XMMPIXPASA-N 487.556 4.915 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 22708273 BZSWWVUEAJITQL-HAHDFKILSA-N 472.541 4.557 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC 28218046 NRDIGVVPLFRLQP-SRZZPIQSSA-N 468.145 4.549 50 40 JJGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(Cl)cc1Cl 31783480 JDZXTNIUYCZNCA-MRUKODCESA-N 457.342 4.582 50 40 JJGB CNC(=O)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102921171 QIUFDKAJAUKDKT-RQZHXJHFSA-O 499.958 4.564 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(OC)c1 107714000 QCCQUJOFUNSZCJ-VULFUBBASA-N 454.910 4.709 50 40 JJGB O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408646258 ILXJPGDJMUNOKH-KSSFIOAISA-N 454.737 4.770 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408793432 FKVJSXKJNWWIHU-LICLKQGHSA-N 487.350 4.508 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(C)cc1 408879032 DXGFVBWMSZFTFS-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408967641 RJLLDVLZSHBGOG-KKMKTNMSSA-N 482.855 4.610 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)ccc1I 408997989 PLRFOKYASBTGGF-ZVHZXABRSA-N 471.342 4.700 50 40 JJGB COc1cc(C)c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1C(C)C 409015942 PUJSPLPRNZZBGH-PKEXHZLISA-N 481.637 4.804 50 40 JJGB COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])cc1 409220289 WHOOUOCZFNKFNK-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccccc1 409360851 FZQGNWIJKYOUBL-SDQBBNPISA-N 473.051 4.666 50 40 JJGB O=C(c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 778181 SCGMNQSBOCINOG-UHFFFAOYSA-N 473.532 4.849 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OC 2348845 YISYZXDILXYSGA-WPWMEQJKSA-N 487.585 4.584 50 40 JJGB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3C)C2=O)cc1 8819812 JZFMGGVIZUMGCO-PGMHBOJBSA-N 481.643 4.526 50 40 JJGB CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 16609998 KBKGUSDVUTYLFB-ZMOGYAJESA-N 474.355 4.513 50 40 JJGB O=C(N/N=c1\scc(-c2ccc(O)cc2)n1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 16948597 BWTOZAIGTJUNAF-VYIQYICTSA-N 464.934 4.902 50 40 JJGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59333415 COKCRBLQDPKVAP-SILNSSARSA-N 467.411 4.551 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 59960648 CPCSLFDAZGZXFD-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nccs1)[C@@H]2Br 100012835 MLAXNGBDVHHWPH-RDZIJCNDSA-N 487.055 4.767 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OC 108971593 FLDUOBSOIGGWQA-ZMOGYAJESA-N 457.324 4.782 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(F)cc1 408771222 DRAOIJHYODTMIL-MFOYZWKCSA-N 461.331 4.997 50 40 JJGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408787081 QVLPVRRYAGDSLU-VULFUBBASA-N 467.978 4.741 50 40 JJGB O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 408846004 QFYKEDFTLRYKLK-WPWMEQJKSA-N 453.454 4.515 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OS(=O)(=O)c1ccccc1 408878912 BRFYDXINEFYEBA-GHRIWEEISA-N 468.918 4.662 50 40 JJGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)COc2cccc(Br)c2)c1C 408964770 DVCFQXVQOUBRHW-QFEZKATASA-N 454.368 4.948 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 409066904 DCEZKWHLNDQLTH-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 409122074 YUIUBLMLXNYKAP-IEVYWPCISA-N 475.614 4.882 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1F 409127663 FITGFTQXMRNCAH-JOCHJYFZSA-N 452.869 4.990 50 40 JJGB CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409168974 OMIASOJWWDTSHY-YKKQWCMESA-N 491.975 4.821 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCCC)c(Br)c2)cc1OCC 409316070 LGDKSHUPSJFNNT-IWIPYMOSSA-N 461.356 4.965 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccc(C)cc2)cc1 1321875 XSUKFKYQKBVUMX-ZVHZXABRSA-N 463.588 4.555 50 40 JJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 1410504 ZQXSZALKORAVDA-WYMPLXKRSA-N 454.324 4.627 50 40 JJGB Cc1c(Cl)ccc2c1NC(=O)[C@@]21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 1426860 WUUAMYOZBUEGAH-AREMUKBSSA-N 458.949 4.696 50 40 JJGB CCOc1cc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc(OCC)c1OCC 3208175 OABDUYHRZHGLLD-ZVPSQHGHSA-N 451.567 4.910 50 40 JJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 12362496 QSWRIGNSKOUZQQ-VULFUBBASA-N 460.446 4.637 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)cc1 19926461 UXSGIXRJCKQLJG-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)c(Br)c1O 33700814 ZHWUAWZDLNBXLA-WZUFQYTHSA-N 454.074 4.898 50 40 JJGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 59332962 SOJLWBJNBYQMEL-ATVHPVEESA-N 474.786 4.757 50 40 JJGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 59333196 SLSJYSYKEBHNCX-MNDPQUGUSA-N 462.347 4.965 50 40 JJGB CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408530080 IPESMROYJUESAV-ATVHPVEESA-N 457.324 4.960 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1Cl 408566952 JHPOBWOFNFYHHH-VULFUBBASA-N 483.908 4.998 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC(C)=O 408766024 YSNLBCBWZPWUPO-ZMOGYAJESA-N 455.308 4.690 50 40 JJGB O=C(COc1ccc(Cl)c2ccccc12)N/N=C/c1ccccc1I 1995005 SAUYYHDZZGVDNF-SSDVNMTOSA-N 464.690 4.627 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1 9907477 CHUHYIKRSUVHLR-NJZRLIGZSA-N 494.547 4.691 50 40 JJGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12587988 PRYJHPPTFULTLV-WGOQTCKBSA-N 499.976 4.608 50 40 JJGB CCC/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccccc1 13536627 XNIYWNHOPBRCPD-PTGBLXJZSA-N 472.412 4.657 50 40 JJGB COc1ccc(/C=N\NC(=O)c2ccccc2OC)cc1COc1c(F)c(F)c(F)c(F)c1F 32578310 SISYZDHIYNAYIQ-DANHRZQXSA-N 480.389 4.742 50 40 JJGB CN1/C(=C(\C#N)C(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)s2)Nc2ccccc21 100838454 ABUCDAXTDNYZBJ-RYQLWAFASA-N 478.537 4.708 50 40 JJGB N#C/C(=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)cc1 408766943 XIDIILLANWWOMC-VBKFSLOCSA-N 483.889 4.562 50 40 JJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I 408792696 BLSUSFBDFSVZMC-OQLLNIDSSA-N 476.701 4.811 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409005185 DFKLIXPEFLHTLK-STZFKDTASA-N 455.514 4.875 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 409139979 CHFMFAVVJSCJEN-HSZRJFAPSA-N 494.389 4.767 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 409257329 OCOVDRTZRFTKTO-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 2494629 ZCPJSNAMIRSGSS-QVKFZJNVSA-N 451.320 4.666 50 40 JJGB CC(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc1 9259317 SRZKUPQYQROOTD-PGGKNCGUSA-N 473.740 4.506 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1CSc1ccccn1 15930223 VDSCHEGDRSJFPL-ZMOGYAJESA-N 456.365 4.909 50 40 JJGB O=S(=O)(/N=C(/Nc1cccc(OC(F)(F)[C@@H](F)Cl)c1)C(F)(F)F)c1ccccc1 16247985 KSQDJFCCOUJVIE-CYBMUJFWSA-N 460.783 4.954 50 40 JJGB CCCc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 22575093 VVSJGOVIKIYJAY-FQEVSTJZSA-N 465.351 4.922 50 40 JJGB O=C(NNc1ccccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408610337 SZNODYVEJURDRG-KRWDZBQOSA-N 453.901 4.554 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408745866 AMRXIDXMEHDDGE-ZSOIEALJSA-N 493.741 4.599 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cc(C)cc(C)c2)cc1 408876303 KRIYDROESOBOLJ-MZJWZYIUSA-N 487.984 4.750 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1 1775043 CIUSMJHWPLYHNB-GHRIWEEISA-N 489.553 4.708 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 3145039 DGVIRFIWNLMWJX-WGOQTCKBSA-N 469.994 4.556 50 40 JJGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 3180979 CPDRLVSAFBXIOU-RZRSPBPRSA-N 479.367 4.966 50 40 JJGB CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1Br 9019501 DOSADSRMMRHADO-ZMOGYAJESA-N 466.763 4.565 50 40 JJGB N#Cc1cccc(COc2cccc(/C=N/NC(=O)c3ccc(I)cc3)c2)c1 10118619 SCSHALNIXSLKCM-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1OC 16959934 KCNUGZBEESKEET-SDNWHVSQSA-N 476.470 4.818 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1 20348498 VDQPHLMVTPRZKY-DEOSSOPVSA-N 459.571 4.792 50 40 JJGB Cc1sc2nc(CS[C@H](C)C(=O)NN(Cc3ccccc3)c3ccccc3)[nH]c(=O)c2c1C 32999491 BZVOPUIPIYZFPQ-GOSISDBHSA-N 478.643 4.961 50 40 JJGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 33335352 YMDPIZHATCSNGD-MRUKODCESA-N 491.202 4.662 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)n1 33379636 GQJLSCQNOMBCRM-VYYCAZPPSA-N 490.564 4.761 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1I 408784391 BNLRBKVGNYNYAN-DHDCSXOGSA-N 462.287 4.633 50 40 JJGB Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)C(C)C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408834218 URFJYPOKRYUSTA-VULFUBBASA-N 488.009 4.739 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1OC 409017911 GKAKZDRHPVLYAW-JFLMPSFJSA-N 481.936 4.529 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 409037129 NAFOLYTXXAWXFZ-MDWZMJQESA-N 485.323 4.696 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@H]1c1ccc(F)cc1 409318335 VRZASTSIDAOWDR-AWEZNQCLSA-N 494.773 4.952 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc(I)cc2)cc1OC 409369656 UNJYOZNDYCGGGG-AUWJEWJLSA-N 483.689 4.569 50 40 JJGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 1468959 YSFIUXQOPCLDJF-CVKSISIWSA-N 455.474 4.636 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)S(=O)(=O)c2ccccc2)cc1 19937056 JKMXQWINAKAJDN-JVWAILMASA-N 492.988 4.542 50 40 JJGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 22752720 XYTCVPLJYCGJNV-BDHSBTLUSA-N 493.947 4.937 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 23358598 PRTCADPGZGBSTG-NDZAJKAJSA-N 490.991 4.579 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 83314763 LJJQOSZMHDQZOO-QFEZKATASA-N 469.335 4.809 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408724724 HAFKAKXSRXZTRR-JYRVWZFOSA-N 482.705 4.898 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408767160 WBDRLCIYJUERDV-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc(I)cc1 408773551 RRSCQQWEPZWORP-FSJBWODESA-N 461.278 4.602 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408774024 VGJDUCFLKHPWMR-HPNDGRJYSA-N 463.603 4.656 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1[N+](=O)[O-] 408903920 BEYWBYRMYPGSQL-MSXFZWOLSA-N 461.434 4.729 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)c2C)c1 408968382 YHFCXMIVQWSIST-VEILYXNESA-N 454.530 4.825 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409066415 AQIMAJGTRBEOBB-HYARGMPZSA-N 484.508 4.952 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1 409314199 QKMRJRPBSPJZDJ-CQSZACIVSA-N 476.783 4.813 50 40 JJGB CCCOc1c(Br)cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2799479 IMMGARSEAIMUFK-UZLBHIALSA-N 467.367 4.840 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)[C@H](C(=O)OC)C(O)=N2)cc1 8969718 LIXOVGJUYAIPQQ-RTWAWAEBSA-N 483.977 4.852 50 40 JJGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1COc1ccccc1 12871839 LXTYOBSFORVVGH-UHFFFAOYSA-N 452.510 4.773 50 40 JJGB CCc1noc(C)c1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 18032335 ILJVNRLVQNOKJS-UVHMKAGCSA-N 459.424 4.788 50 40 JJGB COc1ccc(NC(=O)CSSCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 26891929 XSDGTBWDIFXGDK-UHFFFAOYSA-N 461.392 4.969 50 40 JJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 28350996 JVEMUQBOMWWJSH-IMRQLAEWSA-N 473.558 4.934 50 40 JJGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OC(C)C)c3)o2)C1=O 101112130 CXFOWZCAARFZDT-LDADJPATSA-N 464.905 4.943 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC#N 408792748 BYNHOCOTKRPUPW-LICLKQGHSA-N 454.324 4.913 50 40 JJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408831453 PLLKJKAAWCNHPE-RIYZIHGNSA-N 475.726 4.677 50 40 JJGB COc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c2)c1 409219482 QZGSQDNGZGVFBW-UHFFFAOYSA-N 483.480 4.524 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409219823 VHSFQSVTJJPTII-OLAMLGAISA-N 479.876 4.640 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 409269850 ACNRNFRTLMKARI-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB COc1cc(OC)c(NC(=O)N(NC(=O)NNc2ccccc2)c2ccccc2)cc1Cl 1579920 LBSAZIGCUWAGAS-UHFFFAOYSA-N 455.902 4.637 50 40 JJGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 2276549 NDSQPQNNJWUQSI-GHRIWEEISA-N 467.591 4.849 50 40 JJGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Br 2785405 MXLFGMHIFCMGDO-OAQYLSRUSA-N 465.351 4.895 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(I)cc1 10118616 UPCABYAMZBBEDH-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)c(Br)c1 408603878 HOMMYUSSQPLZFQ-FQEVSTJZSA-N 495.402 4.843 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCc1c(F)cccc1Cl 408610568 OHBITLBUPQLRQT-XODNFHPESA-N 483.927 4.772 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408610871 OUMBWPPOWLRYIC-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)c(OC)cc1Cl 408823341 NWDSABTWLCPRNC-LFYBBSHMSA-N 481.730 4.683 50 40 JJGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408839297 QHNFLIZOONOFFI-UHFFFAOYSA-N 462.720 4.974 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc2ccccc12 408893665 HMFYEJJWQUVUNF-JVWAILMASA-N 469.453 4.740 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc2ncccc2c1 408966658 NIUVXTFZXPUHLM-MZJWZYIUSA-N 477.362 4.934 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)cc1 409115230 KTKATXUSHKEXQW-OVVQPSECSA-N 457.555 4.737 50 40 JJGB Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)ccc1Br 409122911 CTXAHEWYXMNDBH-ZDUSSCGKSA-N 462.394 4.530 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@H]1c1cccs1 409133869 UQXIGWGMGNVFRN-LLVKDONJSA-N 482.812 4.875 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1 409149100 XJJIUDVKQFSUHS-OAQYLSRUSA-N 499.336 4.991 50 40 JJGB CC(C)(C)[Si](O[C@@H]1[C@@H]2[C@H]3C[C@H](C[C@H]1N3)CN2Cc1ccccc1)(c1ccccc1)c1ccccc1 953000556 CDMMGZKAVLWRCB-HHRNURRFSA-N 482.744 4.566 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=S)NC2CCCCC2)cc1 8781233 RCUBOYUEQABAIV-OEAKJJBVSA-N 459.413 4.832 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19950178 BLHGXXKPFMXIRS-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB CCOc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 31885706 GIUNKSQMKWKHEP-YUMHPJSZSA-N 487.585 4.589 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1[N+](=O)[O-] 408598525 CIGAMCUCRIIIHH-FSJBWODESA-N 499.277 4.608 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(F)cc1 408909351 CPJVYEMZTCKPMJ-RWPZCVJISA-N 450.510 4.949 50 40 JJGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(N(C)C)cc1 409011583 GMECSARCNYLBGC-GEVKIBKFSA-N 493.435 4.508 50 40 JJGB Cc1c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl 409147544 XEAGMULRAPOLCY-VFLNYLIXSA-N 474.948 4.942 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409259884 HBCJVYCMFFWFAM-WOJGMQOQSA-N 491.931 4.926 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OC 409332792 MLHRGCNVFQRIGQ-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1nc2ccccc2s1 8881588 MGMYUDODZYFGCP-FOKLQQMPSA-N 455.996 4.745 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(CC)CC)cc2)C(C#N)=C(N)O3)cc1OC 9292147 HLFIMIFVTKEBJK-JOCHJYFZSA-N 459.550 4.548 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OCC)cc2)cc1OC 12276100 GVSMDFSSORPCMG-FNZWTVRRSA-N 480.586 4.526 50 40 JJGB C/C(=N\NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(Cl)s2)cc1 20158421 JLHGFSHVVMRGNY-ZMOGYAJESA-N 456.911 4.645 50 40 JJGB O=C(C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NNC(=O)Nc1ccc(Cl)cc1 20365218 QMAZOOUMAZQWGI-UHFFFAOYSA-N 488.297 4.787 50 40 JJGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 20533886 RXRRSGSCLUECNI-UDWIEESQSA-N 453.473 4.781 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 34703370 VCDQNAUTQLLXGB-WYMPLXKRSA-N 493.501 4.898 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 58871290 VXZXEEODWKCXCX-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1 58912719 BASQWNOVNCIUPJ-DHRITJCHSA-N 467.367 4.562 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1 59333946 XAXANHSHLBSGQE-APSNUPSMSA-N 489.167 4.657 50 40 JJGB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(SC#N)c([N+](=O)[O-])c1 101113901 PVJDYSDBDKKOST-OQLLNIDSSA-N 458.297 4.649 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408734823 KJLWDSAJHXRPQV-PRWBYUBPSA-N 485.378 4.629 50 40 JJGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1 408921381 ARAQHYZYSWUKTI-GHRIWEEISA-N 468.918 4.662 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408969441 NOIUXNKMCZCXIY-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408974199 WRJJGSWQVVSZHD-VEWOPZLGSA-N 473.598 4.666 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1 408997699 GUHFPIBSENELPU-RAQUAXEKSA-N 483.908 4.626 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1 409317700 RUMGKJYKODWLPB-SFHVURJKSA-N 470.392 4.722 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)ccc1Cl 409359786 YDLFUEHLRPFSED-OPEKNORGSA-N 490.741 4.711 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409371541 XAMUGFTXYKUBEW-DEDYPNTBSA-N 475.932 4.589 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c(OC)c2)cc1 2077031 SDCOZPOOWXRYPN-OGLMXYFKSA-N 454.482 4.840 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2405462 QKTCWXVHOQQBDI-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 9089966 FXZAXUIIDDUUGF-DIBXZPPDSA-N 471.586 4.884 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 20059578 KMZUUABVGCZLKU-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 46085198 SOIYLXSGQCKFAL-QVTSOHHYSA-N 485.584 4.617 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 59382986 RSTJAATXVSASPE-TURZUDJPSA-N 491.613 4.720 50 40 JJGB COc1ccc2ccccc2c1[C@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21 408606185 PCEMDKSDXXGMLK-HSZRJFAPSA-N 467.554 4.872 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(OC)c1 408869723 SYKAMINSINVFFN-CIAFOILYSA-N 476.504 4.654 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OS(=O)(=O)c1ccccc1 408897757 SYOWYHQVFOKHDV-QGOAFFKASA-N 482.945 4.970 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408961377 BTUQDGLNLDYENR-UVHMKAGCSA-N 473.407 4.965 50 40 JJGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 409012945 RYXNTZVQOIDKPH-DNTJNYDQSA-N 460.553 4.914 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC 409313662 COYPCYLHWTUQAD-QQXSKIMKSA-N 463.490 4.735 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1Cl 409322133 IUUIJDOQMCSFDO-HNNXBMFYSA-N 462.358 4.713 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 19937029 ABFXVWJYRANTFT-KOEQRZSOSA-N 498.402 4.594 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 33706462 LKOJTVLIYGKVPM-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Br)c1OC(C)C 137675090 ACMBBUIIADBWIL-ZMFRSBBQSA-N 486.366 4.712 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1 408754465 KJSAROLUYXHJFC-QGOAFFKASA-N 461.905 4.912 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 409123484 GNIGFBBHSMWBSO-DHRITJCHSA-N 493.416 4.561 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409129674 VVRMSTACFZNTAI-NRFANRHFSA-N 451.866 4.642 50 40 JJGB COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1 409219374 MCQMUDVHLIFEIT-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB Cc1cc(F)ccc1-c1ccc(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1F 1545920595 PKRSSMXZDFNPGT-UHFFFAOYSA-N 452.429 4.693 50 40 JJGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccc4ccccc4c3)ccc2OC)cc1 2078307 HZAWEWZIOOOGKT-OGLMXYFKSA-N 454.482 4.840 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 9216818 LVHJEBXJYDZXBE-CFRMEGHHSA-N 478.405 4.913 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)c(F)c1 9323129 HOTIRXHMAJVBGG-XODNFHPESA-N 477.293 4.674 50 40 JJGB Cc1ccc(C(C)C)c(OCCOc2ccc(/C=N/NC(=O)CSc3nnc(C)s3)cc2)c1 16158168 MTNRRMMYCRPSBH-AFUMVMLFSA-N 484.647 4.979 50 40 JJGB CCOc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 19955043 BGRLPJINTMJNRH-UHFFFAOYSA-N 451.633 4.628 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)/N=C2\N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 21487138 ROBKIEPIALALFX-QLLOLPEESA-N 473.330 4.596 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Br 23410809 ZQZKOJQCBLPDNB-LQKURTRISA-N 491.433 4.837 50 40 JJGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680155 WUHUIOIRTJTIFX-NRFANRHFSA-N 450.853 4.925 50 40 JJGB OCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100488384 QLAYMWYSWDGABV-BYPYZUCNSA-N 468.044 4.666 50 40 JJGB N[P@](=O)(OCCC(OCc1ccccc1)OCc1ccccc1)N(CCCl)CCCl 104199488 WQAXVYVBIJVCCX-PMERELPUSA-N 475.353 4.999 50 40 JJGB CC(C)[C@@H]1Nc2ccc(S(N)(=O)=O)cc2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245232519 XAUIRGBLWMLADI-DJSIVUHMSA-N 482.027 4.564 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1 408691701 MPPDDYQSZVVGSI-MZJWZYIUSA-N 497.393 4.596 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccccc1 408980675 SDBZGFODRYCDMS-TYBAKLTESA-N 493.567 4.889 50 40 JJGB COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408983667 NHEDYKDYSNUPIC-NSIKDUERSA-N 493.741 4.517 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 409011498 NOHVDFZEZRPHBZ-MTDXEUNCSA-N 452.514 4.567 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 409245296 QNJXMKNWMCBOSX-BKAYVGFPSA-N 453.336 4.644 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OC 409316020 XFXRICPQXDOBAG-NTFVMDSBSA-N 493.947 4.695 50 40 JJGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1Br 2380748 JKHJTLHPEFFIOC-RIYZIHGNSA-N 457.143 4.559 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3210701 STXPAGXHNVITDN-LQKURTRISA-N 468.469 4.529 50 40 JJGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C 8742059 VKSALQHSPNBQOY-OKCVXOCRSA-N 477.952 4.851 50 40 JJGB COc1ccc([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 8916384 HPGUVEYBMOVTFT-LADGPHEKSA-N 481.556 4.509 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1[N+](=O)[O-] 9113043 OCYHRRFHULQUIM-YDZHTSKRSA-N 456.296 4.602 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc(Br)ccc1O 14408646 XIQBRFKZTIGPGU-ZVBGSRNCSA-N 464.659 4.740 50 40 JJGB CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 16789681 BZSVHRKLCYUGMI-VULFUBBASA-N 495.033 4.947 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 19926288 OFRWKPSVIAQQJC-WPWMEQJKSA-N 477.973 4.839 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58911919 BSFIVQFZZWCYBK-PBEVGHANSA-N 457.361 4.728 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59676784 SGIMCLOWVXDGLR-QJOMJCCJSA-N 469.545 4.567 50 40 JJGB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5[C@@H]3C(=O)O[C@@H]5[C@@H]4Br)cc2)c1 102648007 SGTHSTZLBWKEHP-VXAANUECSA-N 456.336 4.605 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc2ccccc2c1O 102976491 DOTKYLKOGUCOSW-JNJMQYEZSA-N 473.573 4.868 50 40 JJGB C[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245231380 CJIRCQLSUKSMNK-QYIJWVMDSA-N 463.899 4.887 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408612989 YDEJMCROOOAJKW-XODNFHPESA-N 490.774 4.992 50 40 JJGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408612996 YFDAQEDYJMCNJL-OGLMXYFKSA-N 463.509 4.672 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(Br)c2)cc1 408744410 FLUXTTFGDCOUPW-JYRVWZFOSA-N 491.139 4.668 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 408994250 YMNUHONMBCVRJW-BHGWPJFGSA-N 477.329 4.977 50 40 JJGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409243778 YKCXYFSVVYBZQR-QPEQYQDCSA-N 483.240 4.565 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409259578 AXKRVLWCDYLQAU-KGENOOAVSA-N 485.540 4.971 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1 409260764 VWZYAALUDMUVRK-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB O=C(CNc1c(Br)cc(Br)cc1Br)NN=C1CCCCC1 1051627 MVVHKHGUUBFQNS-UHFFFAOYSA-N 482.014 4.822 50 40 JJGB aggregator C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)c1O 2334767 ZPHZJXJHJWCPAS-JVWAILMASA-N 477.634 4.939 50 40 JJGB O=C(NNC(=O)c1sc2ccccc2c1Cl)SCc1nnc(-c2cccs2)o1 9590918 MGOYLTJXUZRJKJ-UHFFFAOYSA-N 450.954 4.954 50 40 JJGB COc1cc(/C=C2\CN(c3ccc(C)c(Cl)c3)C(=O)NC2=O)ccc1OCCBr 98086800 LNLPLVJTCOZLFA-OQLLNIDSSA-N 479.758 4.571 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 408790516 PVIFTBOGIDWUNU-NHFJDJAPSA-N 479.602 4.560 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408867265 LDFRTGPCAYMTBN-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I 408987905 PKMLRPAXFHUPFH-JYRVWZFOSA-N 452.679 4.807 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1OCC 409316460 QLRBJGSGGHGXEM-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB O=C(C(Br)Br)[C@H](Br)[C@@H](Br)c1ccccc1 1675763 UUUQKIQSKJSFCW-JGVFFNPUSA-N 463.789 4.571 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2898099 BOMFUELRCSFNFG-VULFUBBASA-N 466.335 4.539 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c(F)c1 8816287 BREZBONDNDZKRN-KKMKTNMSSA-N 496.292 4.501 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 8842934 QSVYGKJELNTZAH-CCVNUDIWSA-N 456.420 4.675 50 40 JJGB CC/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(O)cc1 9019732 CILLHLRKAMDPAM-PYCFMQQDSA-N 458.634 4.867 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 9428065 GPESLURRAKEABX-WPWMEQJKSA-N 475.549 4.715 50 40 JJGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc(OC)c1OC 9693369 NSMSJBFYCDSCLF-KRWDZBQOSA-N 471.966 4.585 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C(\C)CCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 19926606 MQYHTQRPJBWSID-SZXQPVLSSA-N 461.587 4.806 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59332829 UXASKCPTRLHEFC-VKAVYKQESA-N 462.893 4.764 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)c(C(=O)OCC)c1C 408547404 WJCNVQLUGURQNL-LFIBNONCSA-N 464.543 4.620 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408789752 KVONVSPVVKJETA-XDHOZWIPSA-N 459.458 4.824 50 40 JJGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 408956994 ZNAXIKGYZKVTMH-JCMHNJIXSA-N 466.497 4.921 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2Cl)cc1 409220310 WOJSBCQERVBZOO-WGARJPEWSA-N 494.891 4.580 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888324 DMJDLZHLYSTYBE-YWDBVWQESA-N 481.936 4.815 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 8780980 DNLHJXBSQPMFJK-MTDXEUNCSA-N 477.630 4.542 50 40 JJGB O=C(CCCC[C@H]1CCSS1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12560737 GMWNCJLKWWYXBI-SFHVURJKSA-N 494.660 4.911 50 40 JJGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 13058119 OUMICRBPPVWWRD-NTUHNPAUSA-N 494.139 4.854 50 40 JJGB O=C(CN1CCOCC1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 19851573 MKJACUDOJNEKBV-MWAVMZGNSA-N 464.569 4.594 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20060134 PCRBPFDYFHQQSJ-MTDXEUNCSA-N 493.629 4.863 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 20233053 FGSLBJMGHJWDIB-ZTKZIYFRSA-N 499.592 4.855 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38650348 UCAFMXMGPDLLPC-VWLOTQADSA-N 456.498 4.920 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC 408734153 DRIFKHGXUOMSEZ-WUXMJOGZSA-N 468.678 4.507 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 408897626 ZBDLHSNCXOECOS-GZTJUZNOSA-N 497.916 4.870 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)cc1 408995504 JTFMYROLTYOGDC-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccccc2F)cc1 409006463 NZPRCVLURQRYLK-STBIYBPSSA-N 489.572 4.629 50 40 JJGB CCOc1ccccc1NC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409187124 MJKQJADRWRMXEX-YSMPRRRNSA-N 463.490 4.527 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)cc2c1 409189694 NESANQLQVHWLPV-DICXZTSXSA-N 458.470 4.873 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1cccc(Br)c1 409311009 XTRSUJFSZWYMDH-ZWKOTPCHSA-N 491.794 4.774 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453200 YABLFVSHSLZIQV-RGEXLXHISA-N 457.555 4.850 50 40 JJGB Oc1c(O)c(CN(CCCl)CCCl)c2ccccc2c1CN(CCCl)CCCl 1719308 NWSZMRZCSAKNOX-UHFFFAOYSA-N 468.252 4.810 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1C 1770246 CNSYPQRMHYFCPI-PTGBLXJZSA-N 470.573 4.792 50 40 JJGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccc(F)cc3)CSC2=C1C#N 2212657 MOQGZHOHXXAUMR-MRXNPFEDSA-N 474.355 4.816 50 40 JJGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1OC 2256201 RDUPNYYVCAXMNH-AREMUKBSSA-N 485.584 4.758 50 40 JJGB CCc1cc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n2c(nc3ccccc32)c1C#N 9703353 BHENRZPMRGTYCD-UHFFFAOYSA-N 450.527 4.856 50 40 JJGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 13301384 VIFPWJGARWXBIY-OAQYLSRUSA-N 484.503 4.901 50 40 JJGB CC(C)c1ccc(/C=c2\sc3n(c2=O)C=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 13739482 RCMMVDZZXZUZHE-ZBIZMYTFSA-N 451.595 4.822 50 40 JJGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 20468028 PXJCANMGPIOVLG-SAPNQHFASA-N 466.588 4.787 50 40 JJGB CCOc1cc(C(=O)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc(OCC)c1OCC 36892607 AXXAUDPJTMFEBM-UHFFFAOYSA-N 495.557 4.827 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 408980851 TVSFOPYWLZKQOG-LWZVXOGXSA-N 473.573 4.886 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1 408982811 ZFPXZLFPRROHEN-LEEXQRRLSA-N 484.896 4.836 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC 409051069 IAHIKAHLJGAREM-FSJBWODESA-N 498.748 4.980 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1C#N 409122951 CPSADQBGVIGKSC-HSZRJFAPSA-N 474.314 4.824 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1c(F)cccc1Cl 409205295 PGQLJFMBMZMAAI-BFWPAWLWSA-N 451.885 4.824 50 40 JJGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 948763 OSUVSTHSUZGWKH-LTGZKZEYSA-N 454.482 4.937 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 9973126 DXQRFKIIHWVEFZ-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1OC 20241519 CAVSMLPSGWZBGW-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1F 20348414 JTBSIWCAXDSAON-QHCPKHFHSA-N 463.534 4.623 50 40 JJGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1Cl 38688624 DMMNMWDZYMZCJL-DEOSSOPVSA-N 492.915 4.803 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)NCCc1c[nH]c2ccccc12 59105171 BUPAGAHGLMDOIZ-XKZIYDEJSA-N 465.509 4.741 50 40 JJGB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(N(CCCl)CCCl)cc1 100934264 NYHFJYYJQHIJQX-CVJKAFSHSA-N 458.433 4.998 50 40 JJGB CC[C@]1(C(=O)c2ccc(F)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)Oc1ccc([N+](=O)[O-])cc1 103309071 WPCCEFXFLSUION-LPPUWEFUSA-N 475.428 4.621 50 40 JJGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 409063016 FNCNHUABTCOWFD-VULFUBBASA-N 490.412 4.643 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)c(Br)c1 409312734 MBXLDQZVRHKUGA-OAHLLOKOSA-N 474.355 4.607 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC 409322907 LRILUMGTVXUTNA-IMRQLAEWSA-N 496.585 4.714 50 40 JJGB COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 1833210 MWFKQNTUIWMCGF-KAMYIIQDSA-N 476.470 4.818 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888864 DUZCEAOYFFRVIR-YDYXIROLSA-N 475.520 4.707 50 40 JJGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)Nc1ccc(Br)cc1 8687519 HFJSRDKRJBRUGB-SFQUDFHCSA-N 464.319 4.934 50 40 JJGB CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 13045551 KLZUMTNSOKKJST-QFIPXVFZSA-N 466.632 4.684 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 15224636 AHIGZHVPWOKYBS-RCCKNPSSSA-N 489.553 4.575 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 19948309 GFXQJHSYJRELDU-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1cc(C(=O)Oc2cccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccccc5)c43)c2)ccc1[N+](=O)[O-] 22751694 LFKCLOKRQYXAMB-QFIPXVFZSA-N 493.479 4.731 50 40 JJGB Cn1c(SCC(=O)N/N=C\c2ccc(Cl)cc2Cl)nnc1-c1cccc(Br)c1 33360441 VOAKLMXTXNIWGJ-AFPJDJCSSA-N 499.221 4.794 50 40 JJGB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C=C(C#N)C#N)cc2)c1 58420713 AWULPQSXCCAVIK-UHFFFAOYSA-N 456.527 4.787 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 59101604 JVFYQCSOFDGNBL-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@H]12 206045839 SLXLVVLJLQJWFG-JDITYXQVSA-N 482.653 4.958 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCC#N 408797381 RFSYHSLYNTXBKZ-VGOFMYFVSA-N 460.715 4.868 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC 408883214 UGKNXOGEMSVDMN-RIYZIHGNSA-N 460.284 4.619 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccccc2)cc1 408978775 JZUIOZZMUCKWIQ-CUVDRZIWSA-N 493.629 4.590 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)c1 409247879 DGNVAQZWIXTFDM-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 1479228 MMGZAZJZARENSA-VULFUBBASA-N 462.966 4.534 50 40 JJGB CC1(C)[C@@]2(C(=O)Nc3ccccn3)CC[C@]1(C(Br)Br)[C@H]2Br 4277173 AYSYGAXXLZIKSF-KMUNFCNLSA-N 481.026 4.706 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCCC)cc2)c(OC)c1 8717177 ZYPXIPOPHOMGGU-GJLBFZBFSA-N 485.540 4.596 50 40 JJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC(C)=O 8738488 UZUDLQQXWINJBT-SOFYXZRVSA-N 450.472 4.545 50 40 JJGB N#C/C(=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Br)cc2)cs1 13302354 JPFVNAVRCYUIDZ-VKAVYKQESA-N 453.277 4.867 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc(F)cc1 14462235 XWXBXVCVLCDRNZ-GZTJUZNOSA-N 494.573 4.792 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OCC#N 33737779 HKENWFWERGDFCG-LQNQUEJISA-N 498.539 4.941 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 105066921 AQLFPKPYSFJHER-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408851251 APWPUUWYMLYDOP-QFEZKATASA-N 467.319 4.708 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)c(OC)c1 408866705 IBRGJTNBEYWVCK-CIAFOILYSA-N 474.517 4.551 50 40 JJGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 408924552 JXSVXWKOWPYWKO-AZFHEMCLSA-N 489.597 4.697 50 40 JJGB Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)CC1 409004355 BZUOJPUTIPQEKE-VUTHCHCSSA-N 455.558 4.577 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409135361 YTNHIKJHUBVUHP-JOCHJYFZSA-N 494.301 4.860 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409302765 KARIMPZYEGKOGY-CQSZACIVSA-N 494.773 4.952 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409390435 DAPGCUINBWKZML-LQKURTRISA-N 454.486 4.889 50 40 JJGB CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 935182 KDPVOQVDZBEXIZ-MNTXUITRSA-N 466.777 4.819 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3)nnc2-c2ccccc2)cc1 1300553 AFACGWDERPYLFM-WPWMEQJKSA-N 487.585 4.584 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1899893 VYEAMFWJBZZSOF-AFUMVMLFSA-N 492.948 4.738 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1 3083986 NHPUKCFOWGEVEP-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 12040184 PKVZXPCYWZHAPY-UHFFFAOYSA-N 453.366 4.811 50 40 JJGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 13128526 MVCHJOZVTXVSEE-UHFFFAOYSA-N 462.546 4.774 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1Oc1ccccc1[N+](=O)[O-] 59475428 IDJBINCVICIMRY-YDZHTSKRSA-N 470.279 4.922 50 40 JJGB O=C(CC(=O)C(Cl)(Cl)Cl)[C@H](Br)[C@@H](Br)c1ccccc1 101051509 WGOAJXGQPCBDGW-QWRGUYRKSA-N 451.369 4.785 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl 107740384 HBZBTTMZVGMNBG-VULFUBBASA-N 451.910 4.650 50 40 JJGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O 408660825 WZRCFVJZLGJVMC-GOSISDBHSA-N 499.753 4.909 50 40 JJGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(F)cc2)c1)CCCC3 408730699 HEUCUVSCZKDYDD-VYYCAZPPSA-N 460.534 4.537 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1C 408873435 REWWSNUYCZQDBY-NUGSKGIGSA-N 481.361 4.515 50 40 JJGB Cc1cccc(CN(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408970280 FDTWCOPZECKPNM-VULFUBBASA-N 490.412 4.643 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1Cl 409194012 KGMFPLUDVOFLBA-DFVFNMDZSA-N 477.948 4.954 50 40 JJGB CCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccc(C)cc2)n1 1415203 UAJKPSCEZIFLOB-UHFFFAOYSA-N 458.927 4.665 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 1479392 ZIDBJFMOCARSGX-VULFUBBASA-N 462.966 4.534 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)c(F)c1 8816300 VXHUKWPPDNVFAJ-KKMKTNMSSA-N 496.292 4.501 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 8843055 LRCJTPZBZYOEGP-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 9201462 ARJPGGKLEBVOMD-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 104798329 OQDLNSHMQQKLAM-LGMDPLHJSA-N 460.401 4.630 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1O 408726112 PVPPWCDGBIWZQX-NVNXTCNLSA-N 462.287 4.558 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408745442 SHJRPICHSBLSKV-AUWJEWJLSA-N 463.715 4.508 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1C#N 408797799 SSFXZLCDTUQLNM-OEAKJJBVSA-N 481.508 4.868 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1I 409020319 NXMJRLDUTQLGRB-OYKKKHCWSA-N 488.325 4.762 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OCC 829295 ZTEAVEYWTCFKLP-WSDLNYQXSA-N 451.386 4.630 50 40 JJGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1 2078287 KOQCZHTXQSPECO-LGJNPRDNSA-N 473.312 4.994 50 40 JJGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 6137122 ZDQLWLRHYGLCRY-QFIPXVFZSA-N 483.977 4.589 50 40 JJGB CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc(OCC)c1OCC 8763871 MDANGTAAZVDYAY-UDWIEESQSA-N 496.560 4.542 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)NC1CCCCC1 33622948 VKRYAGXLAHANAZ-ATVHPVEESA-N 455.917 4.852 50 40 JJGB O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1ccc(Br)cc1 59247855 RUYHTHRYJDCHLX-WSDLNYQXSA-N 477.156 4.531 50 40 JJGB Cc1cc(SC#N)c(C)cc1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408537032 BXBWWCFGAWRJDZ-OQLLNIDSSA-N 499.390 4.835 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3cccnc3)c2C)c(C#N)c1C 408546135 DIXAZRZRNNUSDP-VXLYETTFSA-N 458.543 4.626 50 40 JJGB COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl 872601 ZGRLNYKACIEHNP-JOCHJYFZSA-N 460.921 4.926 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c2ccccc2oc3=O)cc1COc1ccc(F)cc1F 994785 BXVAXRHQYWHEEN-QHCPKHFHSA-N 488.446 4.877 50 40 JJGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 6190696 JBEQDEHQWAKZSA-SWOYFSSUSA-N 492.963 4.671 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F 9972444 DSKQAUYLFDSITI-SFQUDFHCSA-N 463.440 4.537 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccco1 13597189 LIUSDBLMRJIGDP-IWIPYMOSSA-N 451.939 4.813 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 33694650 GQJSTIORFMGAHJ-YSMPRRRNSA-N 467.909 4.919 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(O)cc1 33758424 JLRFDSVQNIXWSN-LFIBNONCSA-N 465.868 4.748 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59921105 TUMYOFAABJWGPA-ZMOGYAJESA-N 492.538 4.666 50 40 JJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 108127896 PAVXABGMXWQAQO-XNTDXEJSSA-N 466.360 4.819 50 40 JJGB CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 195485760 VAIZBQSGURYFDL-ROUUACIJSA-N 453.619 4.778 50 40 JJGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccccc1 408609237 QNWQAEHNDGYZDO-KRWDZBQOSA-N 483.927 4.563 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408815366 RFFIFVRXQWHKQG-PDGQHHTCSA-N 474.429 4.527 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 408872622 HPJSAINKJZGEFP-FSJBWODESA-N 455.312 4.837 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)cc1Cl 408972083 PXOYOTTXRMVCHC-BRJLIKDPSA-N 487.785 4.907 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 409024579 FDDRMBYOOGUHAI-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 409196107 XANMNFJNSVMKDS-WSDLNYQXSA-N 484.721 4.672 50 40 JJGB Cc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1 409268985 CJOOJVYFTFKZFT-QFEZKATASA-N 466.335 4.539 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccnc1 1240433 FATWVXXKKLLALA-AFUMVMLFSA-N 454.987 4.741 50 40 JJGB COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 2402015 CWMSKWXSHRQPLT-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB O=C(Cc1cn2ccsc2n1)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 9634647 WTXAAWJXYMQOSQ-VULFUBBASA-N 466.526 4.688 50 40 JJGB CCOc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1OC 24287536 HDYUOCYIUIMIAQ-UHFFFAOYSA-N 497.598 4.972 50 40 JJGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc(C)c1Cl 30937377 QXPLXZDZDDZSTF-QPSGOUHRSA-N 490.579 4.717 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Br 33335372 WLWWTEXEUKZLID-WSDLNYQXSA-N 477.156 4.775 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc2c(c1)OCO2 59417710 BEUMGJNSLPFXMK-WYMPLXKRSA-N 453.292 4.521 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 59436933 ZFMGTWVPKBHRPY-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccccc1 98087160 PWHPHVUZXVNBGR-TYVAEJKXSA-N 497.554 4.653 50 40 JJGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 100962746 PHAOZQKYZSTBPI-WOJGMQOQSA-N 473.312 4.799 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1 108224114 JFCNCFCNFHBVJU-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c1 408586370 BOCVXZKEBNEDAT-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1 408803518 PYBPHYYMUWCCFO-NBVRZTHBSA-N 482.378 4.822 50 40 JJGB COc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-] 408858218 XTVSOSGHDHPCIM-ZBKNUEDVSA-N 497.099 4.639 50 40 JJGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408860166 WLYHWBOBYLTLOJ-CVKSISIWSA-N 450.882 4.963 50 40 JJGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409219123 JEFZSGZYMCXCGA-LFQXSKOKSA-N 494.847 4.539 50 40 JJGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cccc(Br)c1 3166662 YYWNEPFEBBTBFU-SSDVNMTOSA-N 462.141 4.894 50 40 JJGB Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)sc2NC(=O)c2ccco2)cc1 9223178 AJEJIWLNOUFBSN-CPNJWEJPSA-N 484.537 4.892 50 40 JJGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 26779419 YASZYEGDMOUTHN-PEZBUJJGSA-N 472.888 4.694 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)CCn2nc(-c3ccccc3)cc2-c2ccccc2)c1 28297152 ICELGFZLBITPRA-TURZUDJPSA-N 454.530 4.775 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33572066 WLMMELJVDQGXJV-QGOAFFKASA-N 477.467 4.927 50 40 JJGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 58913639 JRPVVEGFJAKZTE-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58914094 RVRKELBISWCRSP-MBTHVWNTSA-N 471.388 4.600 50 40 JJGB CC(C)[C@@H]1Nc2ccc(S(N)(=O)=O)cc2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245232524 XAUIRGBLWMLADI-SOBOGGEMSA-N 482.027 4.564 50 40 JJGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 408582240 MMCFHFHZHJZSQZ-AWNIVKPZSA-N 467.113 4.748 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408780184 UUSCVYBONKNTKS-SGWCAAJKSA-N 493.629 4.944 50 40 JJGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 409004617 XTLOPEYSCROQNL-WPWMEQJKSA-N 453.454 4.515 50 40 JJGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2Cl)c1 409223794 HXLZKFJUIIIQJA-UHFFFAOYSA-N 461.827 4.686 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409226910 WOVBSQMUSFMGOJ-XSFVSMFZSA-N 471.513 4.663 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC 409324865 VXUNOKKUPPLWJY-PKAZHMFMSA-N 475.501 4.901 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1OC 409366048 SLIQOALWYARTDT-ZMOGYAJESA-N 457.324 4.728 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1 1917786 VTAOAAZZAPSTPE-XQNSMLJCSA-N 468.509 4.556 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccccc1 2077180 HNHKGAOACZNYEU-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 2436465 LQBICGIPEFHVSD-LVZFUZTISA-N 488.588 4.623 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 2750289 DJCJQHHJDUSZNX-MFKUBSTISA-N 465.351 4.531 50 40 JJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1OC 3255400 OTHDKZGZPNKFGI-MDWZMJQESA-N 482.705 4.898 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OS(=O)(=O)c1ccc(F)cc1 9310341 GSBNIXXYKVHEAU-SFQUDFHCSA-N 463.490 4.851 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 9763101 QXEZMUXJVMIYPW-DIBXZPPDSA-N 471.586 4.884 50 40 JJGB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)CCl)[C@H]2c2ccc(N(C)C)cc2)cc1 12867592 ZKHYWXJUPMAJAS-XMMPIXPASA-N 469.994 4.541 50 40 JJGB Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)c(C)c12 22990770 WRLDAQGIYNZQAF-HNNXBMFYSA-N 460.559 4.567 50 40 JJGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214559 JUHAGZDBJIQNGF-FLOSOGMCSA-N 465.550 4.615 50 40 JJGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C\c1ccccc1OCc1ccccc1 33348469 RXELCXBWTXGIPG-QQXSKIMKSA-N 480.362 4.897 50 40 JJGB O=C(CCCCCCC(=O)N/N=C\c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2 33679136 OSGSDRIYFUXPAO-NAZWXXJZSA-N 458.606 4.605 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c2C)cc1C 106953443 DRHAXKZBTCTQAU-WKULSOCRSA-N 450.542 4.975 50 40 JJGB COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OC 408746095 QTYBYUALZIVZIA-GHXNOFRVSA-N 468.678 4.507 50 40 JJGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408843115 LRBWRINHOLLHOU-BRJLIKDPSA-N 465.918 4.982 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OC 408886090 HXSDWJRSJXKYQA-WUXMJOGZSA-N 468.678 4.507 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC(=O)OC 408981858 DDQVAIKSVQAOEC-OVCLIPMQSA-N 463.317 4.798 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409192121 AOTACRLSLCMJHT-ODLFYWEKSA-N 468.937 4.982 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1C 409250358 NIEHSFCVVDWAEI-ULJHMMPZSA-N 455.558 4.845 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 2078415 BTRASXCLGCULJR-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1Br 3089676 VHZJMMQOOZIDKV-SRZZPIQSSA-N 470.161 4.530 50 40 JJGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc(OC)c1OC 9693370 NSMSJBFYCDSCLF-QGZVFWFLSA-N 471.966 4.585 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(I)c1OC(C)C 20195290 BQSQVQWHRXLWPN-ZMOGYAJESA-N 494.373 4.787 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 33747494 ODIVGTFFFJKMPN-WGARJPEWSA-N 493.317 4.501 50 40 JJGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1cc(OC)ccc1O 33909717 XSJALWSGPMVZMC-BOPFTXTBSA-N 478.526 4.860 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 59101825 QBUOIDLOAYZUIM-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc2c(c1)OCO2 408743446 AGVWQDKJSKZXPN-NDENLUEZSA-N 472.497 4.947 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408806067 ACGDFKIJHLPSFR-YPKZHZFPSA-N 456.498 4.787 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969491 OOFBQXVBMTUYKV-KEOSLEJISA-N 498.410 4.947 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974006 UJUMQVZJXGNYHG-YABZZONLSA-N 463.990 4.921 50 40 JJGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409123225 ASSNAQCSLSWULI-ZDUSSCGKSA-N 462.394 4.530 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C1CC(C)(C)CC2=O 409132929 PJETYOPFGYZBFH-VWLOTQADSA-N 475.564 4.787 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OC 1900211 KFXSTFYDHRVYQM-FSJBWODESA-N 488.660 4.789 50 40 JJGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 2257789 UXNNPFRSELQLAI-HVQRGMKJSA-N 458.587 4.853 50 40 JJGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2432159 LXKVUFCEHWAARU-XSFVSMFZSA-N 477.929 4.787 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CNc1ccc2ccccc2c1 3091748 SJXVVUKPDVTLAV-BHGWPJFGSA-N 491.183 4.936 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2OC)cc1 12558486 UOFOOHOYIPFJIX-ALCUREISSA-N 495.539 4.598 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1C 16311999 PAPLPXJWDNVJSB-QRQIAZFYSA-N 487.581 4.508 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OCC 20198035 MQVOITIPCNWILE-BUVRLJJBSA-N 461.356 4.965 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 33673187 HJIDUGAMOALDQW-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100428298 QXKRMZXBHCIKCW-FMIVXFBMSA-N 451.360 4.741 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408570593 WZULVQMDPVOBOD-AUWJEWJLSA-N 488.313 4.869 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1F 409001226 VOKIBVMMEYVTJC-ZMOGYAJESA-N 474.273 4.773 50 40 JJGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 409129768 UTGVVXRAUVZXHM-SAOOZVKCSA-N 476.916 4.762 50 40 JJGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(C(F)(F)F)cc1 409174256 UKQUOPVEEGKQSY-WYMPLXKRSA-N 456.262 4.727 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)NC1CCCC1 409194166 NPFLYKHKKIBOFD-BOPFTXTBSA-N 490.316 4.975 50 40 JJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 409226160 PICRRAKRHMXEDX-GATIEOLUSA-N 457.269 4.705 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)n1 409239909 OEOQENRCXLATSI-UVHMKAGCSA-N 461.566 4.786 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OC 409309437 HEBCJTJSUXROLP-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 1022837 HYCMRLPPLMJIOM-FQEVSTJZSA-N 480.977 4.641 50 40 JJGB COc1cc(OC)c(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1Br 1260453 JRNPJHONPUEQBO-WYMPLXKRSA-N 454.324 4.656 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 1759126 YVBPOIGLTALJMP-ZVHZXABRSA-N 457.987 4.650 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1 8780927 BWHBFUGEELPDJV-QPEQYQDCSA-N 479.714 4.510 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 10130818 NHUKVJMEYYRUTO-PDGQHHTCSA-N 491.931 4.920 50 40 JJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 15945812 IIBACIXXHGYRIN-RPPGKUMJSA-N 457.313 4.994 50 40 JJGB CN(c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1 20232899 RBDXRONHLGOIJP-ZTKZIYFRSA-N 499.592 4.855 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccccc1)[C@H]2Br 225764401 UIKKPSSZEXZGHL-ZLIFDBKOSA-N 494.065 4.989 50 40 JJGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408602295 BNDVYTXUFVOLRY-GOSISDBHSA-N 485.363 4.657 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Cl 408745712 ONOASCUGPDUJAH-NVNXTCNLSA-N 463.317 4.880 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc(F)c1 408784527 UDHYEFYIXLUPBJ-MFOYZWKCSA-N 461.331 4.997 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409023050 GATCUPBQBCCBKH-XAYXJRQQSA-N 493.629 4.746 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Br)cc2)cc1 409218829 LGJXNLRWWSGCQF-CFRMEGHHSA-N 482.290 4.649 50 40 JJGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)c1cccc(F)c1 409389494 BMICVYFCZOLKCJ-QCDXTXTGSA-N 455.077 4.878 50 40 JJGB N#CC(C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)=C1Nc2ccccc2N1 2641017 BGXGDXYDYHYABB-UHFFFAOYSA-N 461.481 4.538 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1 3225572 GOWQUYHOIZMVTE-NGPAHMQLSA-N 450.130 4.702 50 40 JJGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3sc(N4CCOCC4)nc3-c3ccccc3)cc2C1 3431507 WJPDJBLZBGVLFC-FYHAJLKWSA-N 466.632 4.597 50 40 JJGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)cc1 9282296 MHXGTQOXASJDMP-OBGWFSINSA-N 463.497 4.755 50 40 JJGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 12251117 QHHRHLIQNLKPFO-KRWDZBQOSA-N 471.336 4.577 50 40 JJGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc3c(c2)CCCC3)cc1OC 13880672 VIIRDRPPZWNJEW-QSJLXPGHSA-N 497.595 4.894 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 20059430 YGVZCLFMRHKJAD-ZTKZIYFRSA-N 499.592 4.855 50 40 JJGB CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2F)c2ccccc23)cc1 20558552 UEIRPDMIGFRQOZ-DEOSSOPVSA-N 487.556 4.915 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3nccs3)CC[C@]1(C(Br)Br)[C@@H]2Br 169809729 MLAXNGBDVHHWPH-HAGUPOPPSA-N 487.055 4.767 50 40 JJGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408609868 LUXJNJWZWLGBQI-XODNFHPESA-N 490.774 4.992 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(N2CCCC2)cc1 408675776 ASSBXRCOABLNMB-OYKKKHCWSA-N 483.322 4.981 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1F 408779564 YOKAZWBQFPEEPE-MFOYZWKCSA-N 461.331 4.997 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2OC)cc1 408788130 BFRKNCBVIOPSFR-RIYZIHGNSA-N 463.715 4.833 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 408887466 QVKDSYBIGOOKMU-VGOFMYFVSA-N 460.284 4.619 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409008348 WGOJCUNDNJCUEY-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COc1cccc(/C=N\NC(=O)Nc2ccccc2Cl)c1OCc1ccc(C(=O)O)cc1 409186992 KOZHSXVAEYFNKH-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409229696 SZOCTGXYXRQXFY-MBTHVWNTSA-N 483.927 4.588 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1 409311087 YDJZJFPVWUUBPH-INIZCTEOSA-N 459.930 4.588 50 40 JJGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 1888979 PSCPCJIHRJWPLW-FYAMCCBRSA-N 489.547 4.750 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 2225334 VQRCHLDJFXFPCS-JFLMPSFJSA-N 488.638 4.877 50 40 JJGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1NS(=O)(=O)c1cccs1 3353030 JAVBUIPZVXAVIR-UHFFFAOYSA-N 459.552 4.712 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 9235215 ALSLMNVYAPROLM-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1OC 9693282 PUGAKVOATFFMFY-GOSISDBHSA-N 455.967 4.967 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 9973018 HCNQBGMFGSHNAM-ZDLGFXPLSA-N 478.888 4.877 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20231924 TUVIUVCYEBRIDW-MTDXEUNCSA-N 497.592 4.659 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccccc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558568 MYQZEGTYLPCLAW-HSZRJFAPSA-N 455.539 4.522 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1cccs1 30843590 UDSXXOWDDLOMEN-QFEZKATASA-N 452.532 4.512 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)cc(I)c1O 109186446 WGUMEDNCNXISJB-LSHDLFTRSA-N 480.689 4.576 50 40 JJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408756438 ZKNWZSHNSFSLOB-VRZRNBDWSA-N 457.877 4.506 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 408763202 ICNVJVPWVGGSED-HMMYKYKNSA-N 466.497 4.864 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)o1 408898584 XEJPCJYDWMUGSQ-SSDVNMTOSA-N 468.516 4.716 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1O 408986121 ZQSUUZXMEQNHGN-NTUHNPAUSA-N 482.705 4.903 50 40 JJGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 409120028 SLAPWNOXMBXHMA-UHFFFAOYSA-N 478.014 4.760 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1C#N 409244199 ZHNCHBYELXXNBF-MUXKCCDJSA-N 496.336 4.740 50 40 JJGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1 409319986 ALFKUOZYUKALSH-CYBMUJFWSA-N 450.322 4.843 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 2097248 DAXMYDIYPNKNHZ-SSDVNMTOSA-N 476.124 4.734 50 40 JJGB CC1CCN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)CC1 2667726 ARUNAWUFAFVWRC-XFBWCDHKSA-N 486.086 4.931 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 59333941 VSVVVYHLWWMZHL-AUWJEWJLSA-N 482.147 4.925 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)S(C)(=O)=O)cc1 409026575 SJRQQXIHUDBHDN-OGLMXYFKSA-N 487.581 4.584 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 409046720 LPMZGWVDGPMIQY-KGENOOAVSA-N 455.514 4.875 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c1C 409264701 PKYVRMQFIIEFCH-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c1 409324155 RIELBVCVWZJSLV-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCc4ccccc4)C(=O)C(C#N)=C3C)o2)cc1 3634620 USVMPJRNVIKDGV-LFVJCYFKSA-N 450.494 4.984 50 40 JJGB CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 17574483 PQLMVFREXYBRKX-DEOSSOPVSA-N 494.915 4.525 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c3ccccc32)c1 107739016 XPTXOTSZKMVZDV-FJEPWZHXSA-N 468.557 4.655 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 408761449 FLFACVSQDUWWJI-OGLMXYFKSA-N 453.498 4.630 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1Cl 409255381 HNZXFRFYQBKDBG-VZCCZUBFSA-N 495.938 4.570 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2c(OC)cccc2OC)c(C)cc1C 650868 DJIQQCIFPNWXCO-XMMPIXPASA-N 478.545 4.544 50 40 JJGB COc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccc3c(c2)OCO3)cc1OC 1743661 WDBSXGYFCYFDON-IAGOWNOFSA-N 472.129 4.515 50 40 JJGB CCOC(=O)N/N=C(/C)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 12661264 VIKPJRPSXXRSGV-MSEKKTJHSA-N 458.599 4.750 50 40 JJGB biogenic C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)c1ccccc1 28214810 ARJTZLFQUPZYOD-HRJIBFCWSA-N 467.525 4.566 50 40 JJGB CCOc1cc(/C=N\NC(=O)CNc2c(C)cccc2C)ccc1OC(=O)c1ccc(C)cc1 30738377 PIJKIZIMPUAJTD-MWLSYYOVSA-N 459.546 4.792 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 34690153 ZXLLGNDXCXWJQV-YBFXNURJSA-N 493.922 4.729 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 36235475 HMULOSMYPHIQOH-CDRQWRBNSA-N 497.382 4.686 50 40 JJGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 408838462 FOLDRXVXPRBHSL-AWNIVKPZSA-N 454.313 4.720 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OCC 408862867 IUSVWAFPZZCGBL-DFKUXCBWSA-N 498.627 4.736 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)cc1 409260280 NWYPZNXIYRSDLV-QFEZKATASA-N 466.335 4.539 50 40 JJGB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1C 409371070 FTSCVAHAWQFRCZ-CPNJWEJPSA-N 482.378 4.613 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccc(Br)cc1 1433559 JUOKAQIQWDBUOE-MZJWZYIUSA-N 496.361 4.548 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 3144789 IFVFXDBRBBKNJF-CIRUFVMISA-N 483.362 4.954 50 40 JJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 4132418 DONROWLJKDBUKD-UFFVCSGVSA-N 454.162 4.979 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccccc1C#N 9323144 RSSJTIJZONXJGE-WYMPLXKRSA-N 470.348 4.734 50 40 JJGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)COc1ccc(Br)cc1C 14921790 MRPJVSZMIUSWSF-WGOQTCKBSA-N 468.351 4.810 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Cl)Nc1ccccc1F 34719219 GVCAOHSWCZSKAS-RPPGKUMJSA-N 460.292 4.914 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12 59104494 WLKIGDFVWMBHPF-HMAPJEAMSA-N 466.497 4.921 50 40 JJGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336294 YQSWUAIRGMLKEF-GDNBJRDFSA-N 463.317 4.880 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1C 107586566 GNYYJLUMOUYPMP-XODNFHPESA-N 478.618 4.912 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4)c(OCC)c3)CC2=O)cc1 408604833 IUGIMXLYGCFABI-OAQYLSRUSA-N 489.572 4.559 50 40 JJGB CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)cc1 408712040 WXHBFIIFPAUGHT-NHDPSOOVSA-N 454.162 4.612 50 40 JJGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(I)c1 408766684 DWYBRTMJWXBUNE-KEBDBYFISA-N 463.102 4.517 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1Br 408888443 VNOHQSVQOFIRLJ-SRZZPIQSSA-N 468.145 4.549 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 409007566 PFAKNFQTHASTSI-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1O 409043985 NHMRHKWOOQDVPP-CVKSISIWSA-N 458.543 5.422 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1 409224661 LQMBSHVUUQVXOW-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 409228658 CESBXKFWSHZZLW-ZMFRSBBQSA-N 485.309 4.558 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2Br)cc1 409273099 VJHZAZHMLKPSLA-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1 2414119 JQMXUIZYSFOTMK-HAVVHWLPSA-N 478.552 4.678 50 40 JJGB CCN(/N=C/c1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2751447 RLELBJHECXCWLD-ZMOGYAJESA-N 478.417 4.520 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O)c1ccccc1 3320129 QAFXRBFHJNHXTO-NGPAHMQLSA-N 450.130 4.702 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(I)c1O 8437807 OICLJUTXIIVEMT-FOKLQQMPSA-N 486.265 4.669 50 40 JJGB O=C(N/N=C/c1cccc(Cl)c1Cl)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 9762177 CDHKGLVSKAWDMI-FKSNGLKXSA-N 482.323 4.643 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558624 LRUFPPIZZQZOJF-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2s1 32519885 QUNDKFXXJFGYDR-KEBDBYFISA-N 450.383 4.700 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 59514213 SUOYKDULMICGMV-VULFUBBASA-N 452.352 4.899 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59679183 IVRKNYJXWAPNNI-BHGWPJFGSA-N 474.742 4.972 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408544666 WMMITIIPIQIURW-CXUHLZMHSA-N 483.309 4.869 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1OC 408885083 XDSIBVYMHZHMSP-SRZZPIQSSA-N 468.145 4.549 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 3116289 TUEMDQMHSQDTBV-STBIYBPSSA-N 456.473 4.900 50 40 JJGB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 4015181 ASIQGGKUMAUANV-UHFFFAOYSA-N 472.574 4.539 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/C(Cl)=C/c2ccccc2)cc1 6146252 CRXQFUIMKMKYAK-HRDZTEILSA-N 483.977 4.882 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F 9972715 WEFDDMDOYANYQF-QGOAFFKASA-N 477.467 4.927 50 40 JJGB COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(=O)c1ccccc1 30937429 NHAFKADXHFVVIC-MZJWZYIUSA-N 466.921 4.714 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1ccc(Br)cc1 169899714 ODDLNUXDNRRUBE-QFEZKATASA-N 454.324 4.586 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)c(Br)c2)N2C(=N1)SC(C#N)=C2N 408606157 OXPMKYVLCGPOJN-LJQANCHMSA-N 480.391 4.781 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408776250 XLYSVOWYMRJYND-HNXXGLCESA-N 459.571 4.623 50 40 JJGB COc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 408905998 BXFWAOFKPQXGAX-MTDXEUNCSA-N 487.581 4.502 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1cccc(O)c1 3097313 QTYQYYWMFWKXGM-WSDLNYQXSA-N 450.501 4.825 50 40 JJGB O=C(COc1ccccc1-c1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 8448772 HLNTURALLOITAU-CCFHIKDMSA-N 461.521 4.800 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)o1 9190418 VYQQXSAATFJALS-ZMOGYAJESA-N 496.390 4.841 50 40 JJGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCC(=O)OCCCc1ccccc1 12137271 OSGVNEUECLIFMT-UHFFFAOYSA-N 495.403 4.646 50 40 JJGB C=CCOc1cccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)c1 408546398 ISYIRQBDKGNWSU-LDADJPATSA-N 467.543 4.694 50 40 JJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2ccc(Br)cc2)o1 408691527 BZXXIQJFPWZNGM-LGJNPRDNSA-N 478.350 4.765 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1cccc(Cl)c1 408758314 ISLCBCYAZUSVQH-FOKLQQMPSA-N 493.732 4.822 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccco1 408841961 HJRSZERYICBXNU-RDRPBHBLSA-N 497.507 4.914 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 408882885 SNPGDJPNCVATQV-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 409025513 WFYJFSXYPXYFGA-XAYXJRQQSA-N 477.630 4.932 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409138635 FTDMSCCJGZJKTP-NHFJDJAPSA-N 479.602 4.514 50 40 JJGB CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 409218436 FGXTXVWRPCGLQQ-YUMHPJSZSA-N 491.500 4.684 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1I 4486473 KXFZIYYLIIXRIJ-PTNGSMBKSA-N 484.249 4.795 50 40 JJGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 12364994 BBVUTKQYBCQTSO-FDAWAROLSA-N 499.611 4.729 50 40 JJGB C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c1cccc3[C@@](C)(c1ccccc1)CC2(C)C 12407381 IUVBMXOKIJIXAJ-MZOHGLOKSA-N 479.580 4.736 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1O 408544296 VEAQUAKRTAPFOK-VGOFMYFVSA-N 459.287 4.953 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408768004 RTJMGUUFORRCNC-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O 408796841 PMRJUVQLKLDYCN-NTUHNPAUSA-N 479.714 4.510 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408800039 NBJKLSZFMLMUHZ-WOJGMQOQSA-N 474.429 4.636 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc(C)c1 409231298 BRXJXQDOSMGMMS-VULFUBBASA-N 464.591 4.622 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1 863886 YSKOQDDBQLQWOG-VULFUBBASA-N 462.966 4.534 50 40 JJGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1C 2056836 KBSAFMBSVGTBOX-CCFHIKDMSA-N 463.537 4.903 50 40 JJGB C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2093392 VBYRVFSKLIRPLQ-ONDGFEILSA-N 474.561 4.570 50 40 JJGB biogenic CSc1nc(NNC(=O)c2ccccc2Br)c2c3c(sc2n1)COC(C)(C)C3 2220112 AYQLGNUCFRYVTF-UHFFFAOYSA-N 479.425 4.784 50 40 JJGB O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1cccs1 3153444 SKIPKNLOGQCYJQ-NGYBGAFCSA-N 496.022 4.598 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H]1CC1(c1ccccc1)c1ccccc1 8386050 FRYBIOZEBCJIKX-ILRHRSLTSA-N 480.318 4.519 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2)cc1 9264682 WRWBNISIXYQRRW-LQKURTRISA-N 469.501 4.740 50 40 JJGB C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCOc2ccc(Cl)c(C)c2)c(OC)c1 27563910 WUOUBJYHNASWFH-RGEXLXHISA-N 468.937 4.631 50 40 JJGB Cc1c(Cl)cccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408645772 IGNGJUBMPPURIL-BEFAXECRSA-N 452.309 4.564 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c(OCC)c2)cc1 408725599 LCHVXKDODPFLGI-GDNBJRDFSA-N 492.313 4.643 50 40 JJGB O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1c2ccccc2cc2ccccc12 408730283 GTTQIXPRDQHWGC-RWPZCVJISA-N 499.983 5.443 50 40 JJGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl 408736264 ACTLSYMHKMMQKC-DQMKJMRDSA-N 475.376 4.918 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I 408988829 RRWJTLKFXIXJRV-QPEQYQDCSA-N 452.679 4.807 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2cccc(Cl)c2)cc1 409063592 ACJQIVYRADAJSA-VULFUBBASA-N 490.412 4.643 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1Br 409199037 GTKIKMRIWJYJBZ-ZMOGYAJESA-N 454.349 4.654 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1OCC 409314634 GIFFJBPSRHHCMS-MYYYXRDXSA-N 491.382 4.974 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Br)c1O 409325331 XZQDFZTVBPFZPM-WGARJPEWSA-N 499.361 4.905 50 40 JJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1nn(Cc2ccc(Cl)cc2)cc1Br 1091837 HAFLPNKPCRLCRQ-OPEKNORGSA-N 483.753 4.970 50 40 JJGB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 10002082 OCJFCWATUWGTGN-PKEXHZLISA-N 481.955 4.963 50 40 JJGB N#Cc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(I)cc2)c1 10118587 MKWACJFOOIFLDV-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OC(C)C 10118655 RHBWARKGILPHMC-SSDVNMTOSA-N 486.737 4.894 50 40 JJGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 59435277 PICFRWDAYPGXII-DHRITJCHSA-N 457.299 4.696 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 408587284 FCZPQIIYSLHBDK-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB C=C1CC(C(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 408734595 ZFCACWWLEZINMQ-YSURURNPSA-N 464.305 4.906 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1 408761423 FFBNNWWFMCWAKL-QGOAFFKASA-N 461.905 4.912 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1O 408983017 JRJLBLSBPVCSQS-MLPAPPSSSA-N 482.705 4.903 50 40 JJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(I)o2)c1 408993224 CVVJCQRXKJPASQ-UHFFFAOYSA-N 467.694 4.709 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(Br)ccc3O)c2C)cc1Cl 409062828 BJMHIUVNHHROTL-MYKKPKGFSA-N 476.758 4.988 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cc(Cl)cc(Cl)c2)cc1 409184757 MWQITPAECKLGRT-FSJBWODESA-N 482.414 4.709 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)NC1CCCC1 409190858 XCUHIMKAYJLRIH-WJDWOHSUSA-N 486.341 4.571 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1C#N 409249341 KGFWBXPCZKLSEE-MUXKCCDJSA-N 451.885 4.631 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 409258242 SCYXHZPXXNUACX-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccc(Cl)cc2)cc1 1240877 RHJBSOPJKQCJEF-ZMOGYAJESA-N 484.006 4.900 50 40 JJGB N#Cc1ccc(/C=N/NC(=O)c2cc(-c3cccnc3)nn2-c2cccc(C(F)(F)F)c2)cc1 3306594 KKTWYNZVDMSPIF-AMVVHIIESA-N 460.419 4.589 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 6166488 KMMSPCBDFBQXKF-YMIUPFNHSA-N 488.613 4.846 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 9360369 NMNCZBAGIVVUHI-QFIPXVFZSA-N 463.921 4.533 50 40 JJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)NCc1cccnc1 27016602 PGGOZPUSSJWAAC-DEDYPNTBSA-N 484.357 4.920 50 40 JJGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)cc1 108894370 PRDZPPCRYHFCKN-DHRITJCHSA-N 475.482 4.851 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1O 408806129 AVRHWBBEOYTMRK-NTUHNPAUSA-N 482.705 4.903 50 40 JJGB O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc([N+](=O)[O-])ccc1O 408879740 FECDCPDROTYOJJ-MYKKPKGFSA-N 460.273 4.950 50 40 JJGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OCc1ccccc1 408968825 BUIAZWYTPRRFKO-IONSAMEVSA-N 487.600 4.634 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408973098 YSTPUYUQVSPGFY-ZZUBLQEUSA-N 497.636 4.633 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Br)c2)cc1 3117062 CXPCDUNOUNDEKJ-VULFUBBASA-N 466.335 4.539 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 8780958 OMWNZALRECYKAJ-UDWIEESQSA-N 458.470 4.527 50 40 JJGB COc1cccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)c1 12371545 FAKQXTSLBWIPCI-FQEVSTJZSA-N 483.597 4.519 50 40 JJGB O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccccc1OC(F)F 22836269 PREDHTRADGTWNB-NJZRLIGZSA-N 492.570 4.535 50 40 JJGB C[C@@H](C(=O)N/N=C\c1ccc(C(C)(C)C)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 31783215 COVMRBXYDQVYER-BSBKVIOASA-N 450.608 4.592 50 40 JJGB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](CI)S1 36625071 FDLHCSHJDRGWCX-GXTWGEPZSA-N 454.358 4.574 50 40 JJGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58914676 AHIGKRUHNFOLBB-QQXSKIMKSA-N 470.441 4.736 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 59471520 VQCBPYKTKWLYSN-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C/C=C\C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 62613000 OJCKRNPLOZHAOU-XKXQQTCWSA-N 489.653 4.636 50 40 JJGB N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 100428288 VEZJCEINSJLNDM-PKNBQFBNSA-N 451.360 4.741 50 40 JJGB CC(=O)OC1=C2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]2C(=O)OC(=O)[C@@H]2C1 118936697 SPDGZKJSOWGZIE-GGTZJJETSA-N 496.600 4.644 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 408588209 IIDOORSCZGXWHU-FOKLQQMPSA-N 471.311 4.543 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)c(Cl)c1 408607716 ULKFJZJOPWJFBS-OAQYLSRUSA-N 480.977 4.824 50 40 JJGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1)CCCC3 408733507 YQKPODBGTZCLAP-MZJWZYIUSA-N 460.534 4.537 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)c1 408752700 GCMTWXYBGMXANY-WUXMJOGZSA-N 466.129 4.774 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc2c(c1)OCO2 408806717 BBZDAXZJGNDNHS-UUYOSTAYSA-N 486.524 4.625 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408891256 NOEHHGZCJIPEJV-QGOAFFKASA-N 482.945 4.970 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1)c1ccccc1 408982846 ZMFMQKYDIPGOPC-BGEOKWEGSA-N 493.535 4.741 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C 409011581 GLQNOUYPNOKBQX-AKLYFZKISA-N 489.616 4.997 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409077039 CSLLATKUKFBFOP-XDHOZWIPSA-N 488.456 4.917 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C1CC(C)(C)CC2=O 409126173 GZCCVEUAJVTBSZ-RUZDIDTESA-N 457.574 4.648 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12629936 SXAODBGFKOAQTK-LFIBNONCSA-N 490.428 4.945 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)c(C)c1 19948504 MPYHSNVNNFEYJT-MTDXEUNCSA-N 471.582 4.802 50 40 JJGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 33537057 KXJKFIMVOJDPPB-DEDYPNTBSA-N 475.932 4.589 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726375 RBDUVGIZNZVPIE-HYARGMPZSA-N 457.486 4.796 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408887897 RXJSXJXPRTTYIY-GZTJUZNOSA-N 497.916 4.870 50 40 JJGB CCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1I 408904493 KHVHEKVKRQRZRQ-OEAKJJBVSA-N 458.299 4.536 50 40 JJGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c1 408937636 KJUIAMBYZPMZGG-XODNFHPESA-N 456.468 4.819 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 409026353 MMIZDNQVJYMZBR-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409312691 GPXJEQUQQFTNQI-SFHVURJKSA-N 475.492 4.815 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 409361666 HTELLTXOLHUULN-DICXZTSXSA-N 468.937 4.638 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c3ccccc32)o1 409389488 BKKUEGDLEADNJT-DBFSUHOCSA-N 483.446 4.781 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934923 RHWCXSZLXFENSY-FYAMCCBRSA-N 453.567 4.738 50 40 JJGB CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC 4181034 PJZZAHCKLQIWTR-LJQANCHMSA-N 461.356 4.697 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1cccc(C)c1 9425674 MWPYBAGASINCMR-HAVVHWLPSA-N 490.556 4.685 50 40 JJGB C/C(=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 16136582 BHYZAXAYKOBOQM-YSMPRRRNSA-N 494.375 4.868 50 40 JJGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 16804982 SZFHQEJQHRQWQM-LGJNPRDNSA-N 483.380 4.935 50 40 JJGB C=CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195297 FCDITZMMUVOTJT-ZVHZXABRSA-N 492.357 4.564 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)c(C)c1 58913072 YHIUQJRGRBBEAY-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCc1c(Cl)cccc1Cl 408612476 VPIPBRYPGRWIMO-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 408792090 HQXXOOFZYQAYHO-LTGZKZEYSA-N 459.933 4.623 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408796167 NJHCOSZMDLJQQE-VCHYOVAHSA-N 456.926 4.843 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NCc1ccc(Cl)cc1 408797177 BOBDVWMEMLWUHL-CPNJWEJPSA-N 463.896 4.720 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1 408978245 HGLITJUIIJQDLY-MOYYISEASA-N 483.908 4.626 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(F)cc1 409149099 XJJIUDVKQFSUHS-NRFANRHFSA-N 499.336 4.991 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccccc1OC 409197419 FBBIFNLDJWAEBF-HMMYKYKNSA-N 478.570 4.837 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)ccc1OC 409315579 JGOAJHXGKHGNDD-DICXZTSXSA-N 452.482 4.585 50 40 JJGB Cc1ccc(C(O)(C(=O)NN(C(=O)c2cccs2)c2ccccc2)c2ccc(C)cc2)cc1 858893 UCHVGJSBCCKPNG-UHFFFAOYSA-N 456.567 4.979 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)cc1 10315744 KPNUGXJFAAJZGR-OGLMXYFKSA-N 461.562 4.751 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 12429093 WWEWEVHIRJOUEP-IBGZPJMESA-N 471.561 4.650 50 40 JJGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347663 OTIFEZQKWFTRQA-DEOSSOPVSA-N 477.586 4.716 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 23217158 VOEHPELVSMAPDS-XMHGGMMESA-N 459.477 4.788 50 40 JJGB COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 33792217 JLNVITSNMJNCPH-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 38168251 SCNHOESNHCVNIE-WYMPLXKRSA-N 479.290 4.975 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccccc1 40912361 LOMVXHPDOIAHFX-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 59246624 XJKQVYVDYFOIAA-VYYCAZPPSA-N 472.372 4.508 50 40 JJGB COC(=O)N/N=C(/C)[C@@H](CN1CCCCC1)[C@H](C1=C(O)c2ccccc2OC1)c1ccccc1 104296152 AEKMAVFCRPYIEQ-GOSUGCIDSA-N 463.578 4.966 50 40 JJGB CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 195485765 VAIZBQSGURYFDL-MSOLQXFVSA-N 453.619 4.778 50 40 JJGB Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c3ccccc32)c1 408542903 LQILQGZLRIJKQQ-MOSHPQCFSA-N 478.508 4.832 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1F 408608781 IOIYZFAVUGMRDJ-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1C 408783149 KOVHVFWQDNUVDE-JVWAILMASA-N 459.571 4.526 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1O 408796432 OEAJVIHTTFJSDS-KPKJPENVSA-N 466.129 4.862 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408838506 XDFZQGFIMHOIAM-TWKHWXDSSA-N 470.617 4.556 50 40 JJGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccccc3)cc2)cc1 408847558 SVWMGYNUTUKKKL-NDZAJKAJSA-N 493.519 4.931 50 40 JJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 408850171 HKEJMZXBQDPMCE-UFFVCSGVSA-N 465.145 4.976 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 408961541 CUMBRPFCILQZDY-XODNFHPESA-N 472.419 4.755 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 409237760 LNCWAMKYCLBADN-SBGXLDQMSA-N 473.504 4.636 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)[C@H]2CCCC=C12 663554 SSIPYSVUQFZIQN-IDISGSTGSA-N 465.944 4.635 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)cc1 1091640 RPIUXPWHKMIOAE-ZMOGYAJESA-N 471.307 4.658 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1cccc2ccccc12 1303209 MEUFQNMFYFRVCW-LQKURTRISA-N 470.529 4.852 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nnc2-c2ccc(C)cc2)cc1 1474532 AWLONABKJKKNKX-OVVQPSECSA-N 487.585 4.589 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 2433183 LDRJUNYOINGMFR-QPLCGJKRSA-N 492.579 4.734 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 4080713 QFNNURLHGQGPEN-WPWMEQJKSA-N 451.442 4.813 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 33711498 HNAJJRYJLHODFI-UYRXBGFRSA-N 474.900 4.668 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1Cl 58951711 RZLUULKUWRGPEH-KPSZGOFPSA-N 466.944 4.988 50 40 JJGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 408840416 BGAJXNRXWWAFLG-UHFFFAOYSA-N 479.945 4.890 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1cccc(F)c1 409147929 WSTRDHSHXGYBAF-JOCHJYFZSA-N 452.869 4.990 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409189820 TVNQGEZKOCEANP-ZDLGFXPLSA-N 454.910 4.592 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1cccc(F)c1 409237749 BRWDPCRWGFFION-KBKYJPHKSA-N 488.972 4.716 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 409247759 NQZZQQRHOJXVLF-QLTNSANVSA-N 457.486 4.967 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl)Nc1ccccc1 409264667 OZTCVOMVIHTTFB-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OCC 409312679 GKOJRVOONPWKTR-NTFVMDSBSA-N 492.528 4.534 50 40 JJGB Cc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c1 832021 AZHPVBPHTSYEQJ-UHFFFAOYSA-N 455.624 4.899 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nnc2-c2cccnc2)cc1 3294876 DCRJWUNINWUIKZ-UHFFFAOYSA-N 495.568 4.662 50 40 JJGB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(Cl)cc1 8819723 IDILFJVWLIPMGO-CYVLTUHYSA-N 488.034 4.563 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 59472831 RFHPJQMPXOTTFV-VULFUBBASA-N 490.412 4.956 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 408608329 HENSDBPKIQWBPO-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 408828227 LDPDQTYNWLKCPH-JFLMPSFJSA-N 487.984 4.696 50 40 JJGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408863796 QYKOQGZPVWDMJT-NJZRLIGZSA-N 466.585 4.808 50 40 JJGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408946491 YOLBOVJHJNTOJJ-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408961543 CVOLIMQGTHAKHC-UVHMKAGCSA-N 473.407 4.965 50 40 JJGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408981646 CDLNEKMXTASNRA-AUWJEWJLSA-N 493.741 4.517 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C2=C1CCCC2=O 409128588 PWSRXDYIKQWXRD-JOCHJYFZSA-N 464.909 4.557 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 409212875 RVVSIDMNMPSCHK-DHRITJCHSA-N 454.935 4.860 50 40 JJGB c1ccc(P(c2ccccc2)N2CCN(P(c3ccccc3)c3ccccc3)CC2)cc1 1737558 MLWACODSOAFBDU-UHFFFAOYSA-N 454.494 4.700 50 40 JJGB Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 2253676 UAKLLKRQDNAFLU-HXUWFJFHSA-N 452.341 4.924 50 40 JJGB Cc1n[nH]c2c1[C@H](c1cc(COc3ccc(Br)cc3)c(C)s1)C(C#N)=C(N)O2 2727119 NDKWDQCEGPQLGB-SFHVURJKSA-N 457.353 4.648 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 2888281 QVYKINCZMPCHJM-CKVBZJJFSA-N 477.973 4.984 50 40 JJGB Cc1nnc(SCC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)s1 4082511 SRKILSSCOXEWNJ-AUEPDCJTSA-N 455.996 4.745 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OCC 12275615 BBBUTUJKLPNVQU-UQBPGWFLSA-N 468.550 4.656 50 40 JJGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)ccc1O 13553024 SXUQMLHBSAJFBR-UUYOSTAYSA-N 495.051 4.831 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2C)cc1 20060010 WCKHVOAJODSWOP-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240615 SNBWNZVXTNZPKS-TURZUDJPSA-N 456.546 4.813 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccc(F)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558610 WBWPVFCLVUCQMS-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB C#CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 35227281 OAYFUQNMHLKLTM-DHDCSXOGSA-N 469.282 4.561 50 40 JJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c1 59333177 VBMDJSHLRYUPHZ-CYVLTUHYSA-N 475.932 4.642 50 40 JJGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc(N2CCCC2)cc1 408676910 NOMXNCWCWGEVMT-OGLMXYFKSA-N 467.529 4.962 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 408763916 QBWCEJMGJHHFEK-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408787032 ZVDKETMZZIIWPM-MYKKPKGFSA-N 461.305 4.838 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1 408995176 ALXLSLUVWJNXBD-RDRPBHBLSA-N 497.507 4.914 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409178787 OSUQFNJXYDBWJS-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC 409312164 DPHCLSLZRAPSSX-MBTHVWNTSA-N 494.931 4.955 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 2708535 ZCLNRSLAYBJQDW-LUYJPIOASA-N 454.548 4.612 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1cccs1 9288135 HHXHCYISOVDVFO-WSDLNYQXSA-N 459.321 4.502 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc2n1CCCCC2 9630958 UCKCXMBKNCPXCG-JLHYYAGUSA-N 454.284 4.999 50 40 JJGB COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)cc2Cl)cc(OC)c1OC 9905859 QRVLWIWRMMQXIT-MZJWZYIUSA-N 482.920 4.657 50 40 JJGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@@H](c2cccc(OC)c2OCC)CN1C(=O)CCl 11692287 CWYWFQPDEJMFTA-DWXRJYCRSA-N 484.980 4.566 50 40 JJGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(C)c3ccccc23)cc1 14920968 RZSOJGHLCNESNU-XYTDCWDNSA-N 493.611 4.946 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 33480577 OOEOAIKNMAKOQL-SILNSSARSA-N 484.581 4.884 50 40 JJGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1 33787085 DIOBRZXOZXJPBT-AUEPDCJTSA-N 499.178 4.729 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59484032 IEBXJRDADGMPKG-DHDCSXOGSA-N 462.287 4.553 50 40 JJGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 145021991 BMKJDSKNOKUETJ-WQRHYEAKSA-N 456.365 4.568 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408790271 OOZULVVTYGFAGL-RIYZIHGNSA-N 492.700 4.511 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c1C 408922457 BAVQYIZKKXZBJR-OGLMXYFKSA-N 487.581 4.508 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409225817 LPLYJVPFTFDTKB-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc1C 409252160 CENCDJVMIRUCBP-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)o1 409368302 ROLQNRBZTVGOCD-WYMPLXKRSA-N 483.309 4.960 50 40 JJGB N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 21946852 OEIUCEBIXYUCLP-OBDYRVMHSA-O 454.550 4.705 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 33651437 QQDVPDWCDLKIJC-VULFUBBASA-N 490.412 4.643 50 40 JJGB Cc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 108208121 UXXWVHRUZNRHFM-MBTHVWNTSA-N 498.048 4.915 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2cc(Cl)ccc2C)cc1 408789551 MGBYOCRPJIEGRA-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCC#N 408791987 GGWCKGDHOMTEGS-GZTJUZNOSA-N 454.324 4.858 50 40 JJGB COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408846414 KJCSCTLEEROANI-UKWGHVSLSA-N 452.102 4.730 50 40 JJGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408939234 IFSLBWVWSYEFFL-ROTLSHHCSA-N 471.966 4.697 50 40 JJGB Cc1nc(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccccc3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 1052106 COIOZQOOOWTTIW-QFIPXVFZSA-N 474.586 4.684 50 40 JJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccn1-c1ccc(I)cc1 2053883 ILDVWEINXLWFPN-DHRITJCHSA-N 497.258 4.794 50 40 JJGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 9934539 QJCXGPQPMBONNF-FOKLQQMPSA-N 453.248 4.917 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Br)s1 13524922 VVNNZUBYBXEUOL-UEDFDPAGSA-N 492.439 4.833 50 40 JJGB O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c2ccccc2cc2ccccc12 19862517 KSIDNFPRLZSWSL-YKQZZPSBSA-N 471.004 4.914 50 40 JJGB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cccc1c32 22716126 IQEVPKFCSDMSDM-HYDGNGQDSA-N 479.536 4.722 50 40 JJGB COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 28217772 JIZILKILICVLBK-NUGSKGIGSA-N 471.138 4.707 50 40 JJGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccccc1Br 33876860 MOMZXAQNNHYUOV-NESOBDLWSA-N 466.379 4.628 50 40 JJGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1F 33958439 JYMVLQAPTLXMKT-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 34881373 QMEPKYJNHSVWRK-QFEZKATASA-N 453.882 4.529 50 40 JJGB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC 408605932 NOLRYQWHPSFXKP-QFIPXVFZSA-N 475.574 4.508 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408735041 MRNYPSIQFLDXDH-GONKEYIRSA-N 461.345 4.783 50 40 JJGB CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408919391 XFUOTTDJVCJJSF-DHRITJCHSA-N 467.349 4.574 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409017016 UWAGWUQVQFPVLM-NDZAJKAJSA-N 496.567 4.966 50 40 JJGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCOCC1 1104589 KDZJXUBCPNFYDY-KGENOOAVSA-N 477.358 4.947 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 2779765 OSISMHFICHTQQP-TWKHWXDSSA-N 466.537 4.660 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3087405 FILSAUCFRDMSFQ-LQKURTRISA-N 468.469 4.529 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C3=CC[C@H]4C[C@@H]3C4(C)C)cc2)cc1 6140641 PUTMZEMQPVKZET-ABTLLSDWSA-N 467.591 4.594 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9203019 WZXQMIKSSSDQRQ-FOKLQQMPSA-N 461.699 4.754 50 40 JJGB N#C/C(=C/N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1 17223337 FZLJHFNLNQKFRB-ZCYUMKDRSA-N 450.526 4.970 50 40 JJGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1cccc2ccccc12 33408252 LQQOJWOTXKASEB-ZDLGFXPLSA-N 498.320 4.814 50 40 JJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1I 34882686 GFDIHPVYNFAVIG-JYRVWZFOSA-N 497.130 4.998 50 40 JJGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)cc1 408755338 KHNLYCZNHYWPBI-QFEZKATASA-N 454.368 4.948 50 40 JJGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 408766624 VZFCTZXYONCMHP-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 408772884 NTIHSGZSBZERHI-ZMOGYAJESA-N 487.341 4.780 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 408786617 SVLFESLPJHAAJJ-GDNBJRDFSA-N 492.288 4.939 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC 408797415 RTVPXYRSJNVCLP-MDWZMJQESA-N 482.705 4.898 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br 409256631 MMFVOFODQFUNNX-QFEZKATASA-N 466.335 4.539 50 40 JJGB Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)s1 8824383 HSYJLCYCEGZJTG-UHFFFAOYSA-N 478.599 4.649 50 40 JJGB N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9057802 OZJMQRYHXRBHKZ-JLHYYAGUSA-N 493.342 4.754 50 40 JJGB Cc1cccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2Cc2ccco2)c1 9634023 LYZJMSALSFVTPK-UHFFFAOYSA-N 468.542 4.829 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1C#N 12629624 KGCIFKOHJSKJMU-XMMPIXPASA-N 487.899 4.746 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccncc1 13564451 YVAQDIMRTLRBSR-DIBXZPPDSA-N 456.575 4.579 50 40 JJGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1cccs1 13686959 SLFPBUFOIOWNJH-AFUMVMLFSA-N 468.991 4.733 50 40 JJGB COc1ccc(-c2ccc(/C=N\NC(=O)c3cccc(I)c3)o2)cc1Cl 15930553 KIFVJSNIKTUDMF-JJFYIABZSA-N 480.689 4.977 50 40 JJGB C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 104699555 PEPKYDIWRHFZDF-WZUKMAHMSA-N 482.496 4.502 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408747154 JROLWATWKYQTFI-SDQBBNPISA-N 484.133 4.853 50 40 JJGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1Br 408897067 QIMMTXJXOCZVFR-VGOFMYFVSA-N 480.156 4.582 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCC)c1)c1ccccc1 408977363 DAKAYRDLIIETBL-IEIKYZJLSA-N 489.572 4.992 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 409142085 BBEWOOCCOVPOHL-VULFUBBASA-N 464.319 4.672 50 40 JJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)ccc1Cl 409361153 GUCAQRGJLIKACQ-RPPGKUMJSA-N 460.317 4.992 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1ccco1 20029120 IVQQBUVNAUSUGJ-HSZRJFAPSA-N 463.559 4.694 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 21127632 PCJIYPBYPDWSQC-ZXMBATIKSA-N 458.902 4.554 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 59101590 HQYPWAHBKVLZGL-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccc(F)cc2)cc1 408789742 KSJQZAQDCJZHEB-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408793519 PICGJDUIDPCZMU-DEDYPNTBSA-N 460.461 4.746 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2ccccc2C)cc1 408873836 WDYXCOPDUPWXPS-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cccc(C)c2C)cc1 409026800 YRZMWOCNCOWUPU-MZJWZYIUSA-N 487.984 4.750 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 409203373 WTPWLILZMDUZKG-WYMPLXKRSA-N 472.954 4.907 50 40 JJGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c([N+](=O)[O-])c1 2330086 HMDAMCDXOLRREJ-KDJFERLWSA-N 494.507 4.503 50 40 JJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057431 YTJWFJLTFZJIBC-IZZDOVSWSA-N 481.100 4.674 50 40 JJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 16735479 LDPDZZUEUNURSZ-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)c1 20208543 HQFWTRBLJVVKGG-BRJLIKDPSA-N 494.400 4.787 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O 108975436 RMTUHFWKFBMHHA-MBTHVWNTSA-N 489.528 4.753 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 408885176 YCVYSHLIBHKXIL-GHRIWEEISA-N 491.297 4.912 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408915023 WOSZYOHTNTWQSY-FOKLQQMPSA-N 472.295 4.763 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)NCc1ccccc1 409055573 JHURFRMXYUGBSL-DEDYPNTBSA-N 490.357 4.690 50 40 JJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 409331629 HAPLARMRVQOICW-WGARJPEWSA-N 454.910 4.709 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 1887769 IFGMCQPCSDIBKI-NLTRVXJZSA-N 471.557 4.877 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 3116082 LKLBLZHXPRDDNP-VULFUBBASA-N 481.346 4.814 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 3226640 RMCGBKLWCBIVMO-UHFFFAOYSA-N 475.496 4.871 50 40 JJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1OC 9693264 FOWIAQFOSXTYRQ-GOSISDBHSA-N 455.967 4.967 50 40 JJGB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(C(C)C)cc3)cc2)nc(C)n1 13584210 BFWAXJUFEFGXKK-STZFKDTASA-N 475.574 4.563 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c(OC)c1 33562694 UKKDOMUGWDIIDX-DHRITJCHSA-N 470.367 4.946 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 33653912 UHBWLEASNZFHTC-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408948270 FFOJBTRSYWCQNL-NVNXTCNLSA-N 458.743 4.858 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)c1C 409249641 KCYDPJLZHHTHQY-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2C)c1 409262086 DXKWAOZWAJYURZ-WGARJPEWSA-N 496.361 4.548 50 40 JJGB C=CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1 409312007 JDYKCCQAFRGXKP-JJFYIABZSA-N 498.171 4.558 50 40 JJGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 955010 OWQQSNDXDZQODP-DJKNNIRCSA-N 469.493 4.973 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(F)cc1 9140082 IILZLEDTQFZSMY-LICLKQGHSA-N 463.421 4.573 50 40 JJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28214205 NSHNNQZVSDUCAM-CIRUFVMISA-N 467.978 4.988 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 33699290 QQGOOYXISCZJDZ-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 59334161 YYUOARXCKSLBIT-DHDCSXOGSA-N 466.706 4.519 50 40 JJGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 96792425 DKWBPRMGBGXMML-QRVIBDJDSA-N 460.946 4.985 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)c1ccc(O)c(P(=O)(c2ccccc2)c2ccccc2)c1 97951227 UOKPGDMYYLXBPY-UHFFFAOYSA-N 494.467 4.671 50 40 JJGB N#CSCC(=O)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226328135 RBYHFNGEQFLBSN-UHFFFAOYSA-N 469.691 4.906 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)OCC 408753550 JKUJDWAHRXZVSA-PDGQHHTCSA-N 469.335 4.665 50 40 JJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(I)c1 408765934 RWAFYBMFQRMWRP-KPKJPENVSA-N 483.103 4.608 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCC(=O)O 408789282 IIMSVTYQSVYMCX-MKMNVTDBSA-N 493.741 4.819 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OCC 409319366 FBQZINFMMZJXRJ-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2Cl)n1 695300 BWFWMOCKPCBTBM-AUEPDCJTSA-N 482.165 4.773 50 40 JJGB O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccccc1 3150709 PEZGAOLRWQYYRB-UFWORHAWSA-N 490.977 4.503 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 9289366 DGJVJLRYKFYHIA-WGOQTCKBSA-N 481.346 4.760 50 40 JJGB Cc1cc2ccccc2n1CC(=O)NNC(=O)CCCC(=O)N(c1ccccc1)c1ccccc1 9850525 QQEOLEUBNDFSAZ-UHFFFAOYSA-N 468.557 4.632 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(/N=C/N3CCCC3)Oc3c2c(C)nn3-c2ccccc2)cc1OC 102536144 NFQKPLYQBUHHFO-BUSZIJHZSA-N 469.545 4.582 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)cc1 408789060 NVXNVZDIYHXNHZ-FOWTUZBSSA-N 498.276 4.883 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1 408996260 LTAMCMJXOXPWIC-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OC 409391270 ISCSBOHUYNOOHV-DHRITJCHSA-N 456.340 4.572 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1Br 664585 VSZWRZXOXCHDLS-MRXNPFEDSA-N 457.715 4.719 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)cc(C)c1 9425561 PYPKNJQKRCMNLQ-PXLXIMEGSA-N 460.530 4.976 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 16043588 IJAZJUMLNZEFSA-CTLDANNHSA-N 497.661 4.814 50 40 JJGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(CSCc2ccccc2)cc1 16480858 MFYQRBKQISIRSK-UHFFFAOYSA-N 480.387 4.969 50 40 JJGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 33728913 TVUODJDAOLEBFD-QRVIBDJDSA-N 454.280 4.700 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 59383006 WOHHFINEVCXQBZ-LGUFXXKBSA-N 469.994 4.660 50 40 JJGB COc1cccc2cc(C(=O)N/N=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)oc12 108279929 WTAOXTZLORBIQT-RWPZCVJISA-N 471.513 4.840 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1 408611922 SITYNQNINVEDCA-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB N#CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 408844129 OPDHUNMLPPWJRM-LUOAPIJWSA-N 493.898 5.154 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408891916 FHHZSTKZDNUTFT-DHRITJCHSA-N 465.918 4.943 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1C 408909776 IDBYEGWECRWBEU-JVWAILMASA-N 463.603 4.574 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2cc(OC)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 1305157 GEGRJSZOUFWGPY-CVKSISIWSA-N 481.622 4.522 50 40 JJGB COc1ccc(-c2cc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c3ccccc3n2)cc1 2660908 RVJXCPNEFIKADY-UHFFFAOYSA-N 476.492 4.909 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC(C)=O 13387946 URXJAYRPLUMQPH-OVCLIPMQSA-N 488.294 4.535 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1 16758943 AOAMTNHLIFEAIC-SRIJWZPRSA-N 471.376 4.747 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc1Br 408967561 QXGLRSHAQIUZLQ-RMORIDSASA-N 481.119 4.551 50 40 JJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc2ncnc(N)c12 408974290 YMWJLZSJACGTQV-YPXUMCKCSA-N 451.939 4.578 50 40 JJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(O)n3)c([N+](=O)[O-])c2)c1 409107297 RSBACSRLXBEWIN-LICLKQGHSA-N 461.503 4.713 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 1301256 RDOOROSDPKMLEU-QFIPXVFZSA-N 467.978 4.889 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 2085022 QLNQFQDSZRBCCJ-WPWMEQJKSA-N 498.004 4.635 50 40 JJGB COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 3277117 JTCWOXMYJLGXLT-HSZRJFAPSA-N 463.534 4.635 50 40 JJGB COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1 6577555 HENUQRRBPBTSDN-MRXNPFEDSA-N 455.967 4.885 50 40 JJGB aggregator CC/C(=N/NC(=O)CNc1c(Br)cc(Br)cc1Br)C(C)C 8809633 HQSFPENVFKUIKH-UNOMPAQXSA-N 484.030 4.924 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\C=C\c1ccco1 12465615 UUBDLHOAEGVJJB-GZXSLYRQSA-N 450.998 4.984 50 40 JJGB N#C/C(C(N)=O)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 13806225 XIAIROJPQBTZAC-NISQSXRWSA-N 497.201 4.667 50 40 JJGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1cccc(I)c1 14921857 BQECSZDQVVRDQB-UDWIEESQSA-N 458.752 4.967 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 16290963 PBGVFNWIQVEIMF-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19940211 DCYOBSSXIAHXMC-HDMKZQKVSA-N 458.914 4.936 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C(C(=O)OC)=C(C)N2)cc1 20347683 MOHKBWDOPTWLMK-QHCPKHFHSA-N 465.550 4.629 50 40 JJGB COC(=O)CN[C@@H](c1ccccc1Cl)c1cc(Br)ccc1NC(=O)CCCl 35945798 YZIKSTBONXQWAI-IBGZPJMESA-N 474.182 4.522 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl)Nc1ccc(F)cc1 408677205 PXKQDSGYRCIPFT-MUFRIFMGSA-N 494.954 4.861 50 40 JJGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 408730088 FHGCFTPRJJNDNM-MNDYBZJGSA-N 494.576 4.949 50 40 JJGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1 408932474 CFXZBYAZJYXKEL-YSURURNPSA-N 466.708 4.665 50 40 JJGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(Cl)cc1Cl 409014024 LRVHZNBPJZZTGE-KSRKCLLLSA-N 464.393 4.670 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])cc1OC 409031937 BQTURMOWIISIJI-YSMPRRRNSA-N 456.458 4.591 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409048965 VEXAUQDGZFLCLM-HZHRSRAPSA-N 469.541 4.635 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2O)c(Br)cc1OCc1ccccc1F 409092705 WEDPLTMUVQZMPE-BRJLIKDPSA-N 473.298 4.645 50 40 JJGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 409132089 OOEYUWHXTDMXFQ-HNNXBMFYSA-N 474.380 4.624 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409134697 PGLVYVRYSIHTSY-QHCPKHFHSA-N 474.948 4.529 50 40 JJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 409259046 ZBVVRHUEUIATPK-RPPGKUMJSA-N 457.313 4.994 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1cccc(Br)c1 1435696 AXSYUARVCPYVSK-MZJWZYIUSA-N 496.361 4.548 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21)c1ccccc1 2212427 GORSOGQLXBOOOA-KJXVGZKYSA-N 454.917 4.642 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@@H]1c1cccs1 20028789 BBAJAQDGJBUQRA-JOCHJYFZSA-N 466.584 4.798 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC(C)C)c(OCC)c2)cc1 20764934 RPTPUIKXDOYHLO-YDZHTSKRSA-N 496.345 4.640 50 40 JJGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccccc1OCc1ccccc1 59516192 APTBBMJPBICNQA-DHRITJCHSA-N 463.335 4.748 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408609413 RFUSDCMQRPIRFU-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408794042 HPHGPVNHHZFRKE-CXUHLZMHSA-N 476.314 4.861 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC(=O)c1ccc(C)cc1 408879912 HUXVNJHPMQZZQI-DEDYPNTBSA-N 471.469 4.985 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(Br)cc1 408923038 INXIXFNBACZDKD-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccco1 408996280 HCTYQXLFRQGSIV-JVWAILMASA-N 487.468 4.507 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409262094 CPWURZBHINOLLU-NTFVMDSBSA-N 459.546 4.792 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1Cl 409337546 YWGOUIWPGHBHSC-INIZCTEOSA-N 455.967 4.676 50 40 JJGB CC(=O)NNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 1022525 UZLNYWHCPHHCTB-UHFFFAOYSA-N 486.376 4.676 50 40 JJGB O=C(N/N=C/c1ccc2ccccc2c1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1089168 TVNGGIVSEQANOX-WYMPLXKRSA-N 478.306 4.519 50 40 JJGB CCOc1ccc([C@H](c2ccccc2)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)=O)cc1 2332563 QXAFQYULZCEAIQ-LJAQVGFWSA-N 494.591 4.991 50 40 JJGB CCOC(=O)c1csc(N(NC(=O)NC2CCCCC2)C(=O)Nc2ccc(Cl)cc2)n1 16956826 VHICDUPWUAPUMS-UHFFFAOYSA-N 465.963 4.559 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 19926300 UDFJAPBEUAYFFR-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(NS(=O)(=O)c3cccs3)cc1)CCC2 33044127 DKZBOMDWYUDXFL-DARPEHSRSA-N 453.589 4.636 50 40 JJGB O=C(COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1ccccc1 33767443 QIWSMCIQDZIBSM-AFUMVMLFSA-N 474.498 4.591 50 40 JJGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(C3CCCCC3)cc2)c1 33784024 NIWYAAWJANPECY-XHPQRKPJSA-N 455.624 4.919 50 40 JJGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408645774 IGNGJUBMPPURIL-HNAYVOBHSA-N 452.309 4.564 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)O)cc1 408887797 QYHZKKRPQOATIS-LFIBNONCSA-N 474.385 4.539 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408904688 NDEYNTJWEIVTDG-FMCGGJTJSA-N 488.294 4.831 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1 408976714 BXVGOICFOIKXSF-MRAZWZEMSA-N 463.509 4.732 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 409053847 DAMIGILSSFFDEC-CPNJWEJPSA-N 489.915 4.690 50 40 JJGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc(OC)c1OC 2239707 ZBIKXSMJQLGRLH-QGZVFWFLSA-N 485.993 4.894 50 40 JJGB O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)[C@@H](O)c1ccccc1 9720499 OKLBTWLITIMANM-UVJNWHRFSA-N 453.296 4.754 50 40 JJGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 15981032 MQUQFJVIHVCCIC-OGLMXYFKSA-N 462.513 4.702 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 19948499 MFRNWRVKUCCUKL-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)OC)cc1OC 27563472 ZOPKMNBSNLRWNA-ANKJDYFYSA-N 486.318 4.555 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408603302 GGAIAFDKXASZRY-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1I 408742477 ALRQGUCBKYOIHT-VBKFSLOCSA-N 474.298 4.800 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(I)c1OCC 408759115 XYZAWFXRWWVWTM-OQLLNIDSSA-N 492.313 4.643 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Oc1nc(Cl)ncc1F 409005630 FTQIBQBBLSUKHV-PGGKNCGUSA-N 479.693 4.596 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 409074140 KJFRWFBDFMYLTN-NBVRZTHBSA-N 452.919 4.962 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)o2)c(Br)c1 409158668 RWELDEXXODKSAC-OPEKNORGSA-N 474.742 4.551 50 40 JJGB CN(C)CC(=O)Nc1ccc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c1 575440395 KIRMXYXWPGUZLM-MRXNPFEDSA-N 476.964 4.510 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3143750 BKJIWHPHHYSWDE-LQKURTRISA-N 499.479 4.505 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3C)n2-c2ccccc2)cc1OC 9380770 IMOUPZVMRFDWDM-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C\c3ccco3)nnc2-c2ccccc2)cc1 16136490 WDNPTAGYAGKDDY-BIJLSAQLSA-N 473.558 4.834 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OCC)c2)cc1 20859596 UXNAYESCSWKZPP-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 59154718 VRQKMYSKGVPDJW-STBIYBPSSA-N 468.509 4.818 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1COc2cc3ccccc3cc2O1 67197036 RFVQPPMPZBULTA-DZRUHTPESA-N 477.860 4.952 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(Cl)c1OC 408879427 DJUWLBMRMNBWAV-NTUHNPAUSA-N 482.705 4.898 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408893131 FTEWTPZVRADGSF-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1Cl 409311612 BKHWQWVWQYWWOU-QGZVFWFLSA-N 455.967 4.676 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OCC 409322669 MQGIPIRPLIQREK-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccc(C)o3)n2-c2ccccc2)cc1 695246 DXRHPFHUWYXPMF-PYNCTGKJSA-N 474.590 4.720 50 40 JJGB N#CC(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)=C1Nc2ccccc2N1 3345984 JGJOFFJPTAZASA-UHFFFAOYSA-N 452.495 4.962 50 40 JJGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc1 9381875 VHIQLZHNRWJROR-GOSISDBHSA-N 472.636 4.623 50 40 JJGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(Cl)cc1 9614418 FNZBDFPZRGVAML-MZJWZYIUSA-N 466.921 4.714 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 16437273 IYHRZJOWAZGLFS-HMMYKYKNSA-N 492.553 4.716 50 40 JJGB N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 20533901 OKLCHTQJMUPVIA-UDWIEESQSA-N 453.473 4.781 50 40 JJGB CCCc1n[nH]c2c1[C@H](c1ccccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 22575086 VVSJGOVIKIYJAY-HXUWFJFHSA-N 465.351 4.922 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 59101883 UIADGIPLWKUORH-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB Cc1ccc([C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 102671568 FUYVXXGYSZYRLE-ZLNRFVROSA-N 485.923 4.652 50 40 JJGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 108086428 KMSHMTRXWYSBEH-PPDIBHTLSA-N 490.318 4.679 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)c(C#N)c1C 408546985 PXSKKRLKLYXHNC-VGOFMYFVSA-N 473.348 4.595 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2cccc(C)c2)cc1 408775154 OMXIMTJZHKDBAE-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 408831732 WODHRGXJNVAGJS-TURZUDJPSA-N 493.629 4.828 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c2ccc(F)cc2)cc1 408839885 DAJUPXWZXSWOEI-LQKURTRISA-N 497.592 4.515 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c(F)c1 408968522 WRVSWLWHCCSJBH-KKMKTNMSSA-N 496.292 4.501 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC 409323253 MSEUNKZWDIQBEI-QQXSKIMKSA-N 463.490 4.735 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 409393395 WVXVMNQSPJYBAW-MUFRIFMGSA-N 484.512 4.898 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 9376298 KNFLFERAYFMTPN-JMOSNPTESA-N 496.336 4.673 50 40 JJGB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\NC(=O)c1ccc(Br)cc1 15022034 YSHJCBNNLPRYFT-FLFQWRMESA-N 458.381 4.728 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 20059640 UGCRBYBYPRHMLD-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 409185677 ONOFZDZGRPWQBT-UXHLAJHPSA-N 466.507 4.792 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1OCc1ccc(Br)cc1 3168709 DEIZEWFTBAONEV-XQQQEEOESA-N 483.362 4.875 50 40 JJGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 9905827 TUMPBNGNRSTXGG-BYGYOCHOSA-N 453.842 4.898 50 40 JJGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12555978 BPXPNQVZXSSVKF-KPKJPENVSA-N 450.676 4.955 50 40 JJGB NNC(=O)CSc1nnc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccccc1 28294943 PBSOERWYOHJPKA-UHFFFAOYSA-N 499.427 4.991 50 40 JJGB CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(OC)cc1 32577825 AYBFQYJBRBYMBQ-JCMHNJIXSA-N 463.511 4.651 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33335341 IVJXMMXJXNUXLG-LQKURTRISA-N 459.546 4.792 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 108143888 WYENPABXTJHOAC-RGEXLXHISA-N 489.503 4.796 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 408602371 DFESZEXGGWXISZ-LJQANCHMSA-N 479.964 4.814 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408607521 DLQKKOPPEJNGPM-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br 408754755 ICOKPNMCSZRWSY-KEBDBYFISA-N 450.383 4.700 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 408763004 DGQKFAPFAVZCRK-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 408775652 JOVFWBPYCIGZIM-WEMUOSSPSA-N 477.630 4.932 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1cccc(Br)c1 408793296 OGLDQNOMENEAEL-DEDYPNTBSA-N 490.357 4.690 50 40 JJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(I)c1 408794273 IOADMNDOOPSOOM-RIYZIHGNSA-N 477.689 4.701 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 408926476 YDNQFOLGSIOQCV-BRJLIKDPSA-N 457.845 4.739 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc(C)c3)cc2)C2=C1CC(C)(C)CC2=O 409126627 LTSKIJYGRALBGA-SANMLTNESA-N 471.601 4.957 50 40 JJGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Br)cc1 648070 JUENRTJBVPADOR-OAQYLSRUSA-N 465.351 4.895 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccccc2Br)nnc1-c1ccc(Cl)cc1 1831243 DMXIBWVDNZTJLU-SSDVNMTOSA-N 478.803 4.623 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1889034 KZYMSZMGRYUBBL-YWDBVWQESA-N 481.936 4.815 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 3643971 LABMQVHGQCWKGJ-SAPNQHFASA-N 456.889 4.994 50 40 JJGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1Br)c1ccc(Br)cc1 8856253 XUEKEPORXBGLIH-UFFVCSGVSA-N 459.569 4.817 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1[N+](=O)[O-] 12463878 GLHHHMMGQWJSMV-UKWGHVSLSA-N 479.996 4.634 50 40 JJGB Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3Cl)nnc2-c2ccccc2F)cc1 12593636 JHQSLNQUTKIMMO-UHFFFAOYSA-N 495.967 4.589 50 40 JJGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 13564597 QYGFSVWJNWRWSA-IMRQLAEWSA-N 487.585 4.589 50 40 JJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OCC 35132395 FSWKHGLYVXAJQD-RQZCQDPDSA-N 496.972 4.888 50 40 JJGB O=C(NNc1ccccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408608820 PUJSGJALKKAJOS-GOSISDBHSA-N 480.362 4.524 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408726845 VUEDETQAMVFYCJ-BOPFTXTBSA-N 488.325 4.973 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 408759236 AGMYTMWCAKJCQA-WGLQLPMYSA-N 488.009 4.752 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 408830496 SBBVQJSTFDZTEH-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408893594 GFVALKOTDPSCRK-SFQUDFHCSA-N 497.916 4.870 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 409028306 LOZRCPJXJDJFQS-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(C)cc3)cc2)cc1 409113473 AZCGVXTZSCUMKC-CSWGWEJPSA-N 461.587 4.952 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1Cl 409267665 WVWDZKRVWQOTFV-DHRITJCHSA-N 469.881 4.608 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1 409272897 UDWNLAZWDNUPPK-JXAWBTAJSA-N 461.905 4.912 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 10315759 IUYSMTUMBMAKOB-OGLMXYFKSA-N 470.529 4.998 50 40 JJGB CC(C)(C)c1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 15938177 UOCFLBCFRHQIBI-MVOJRJSQSA-N 469.541 4.634 50 40 JJGB N#Cc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 20931877 CJWLDODYPHVGKP-MUFRIFMGSA-N 461.481 4.686 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 21319607 HIWXCAQFJYUEBX-FYJGNVAPSA-N 459.502 4.522 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)c1 108076415 MHDXNSNRNFRCNU-AUEPDCJTSA-N 461.261 4.884 50 40 JJGB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 245380332 WMVYBBWDFRHJPT-FUBLQBENSA-N 478.505 4.851 50 40 JJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408533916 TZSNOXKPTPARSU-OPEKNORGSA-N 456.262 4.595 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(Cl)c1OCc1ccccc1 408612152 XSPASCRCTRKMJM-IBGZPJMESA-N 479.964 4.814 50 40 JJGB COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1O 408766537 VHSMHXRTYFWMMZ-JFLMPSFJSA-N 456.583 4.793 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1C 408851247 WTVNMRYQXIOONV-NKVSQWTQSA-N 457.486 4.653 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OS(=O)(=O)c1ccc(C)cc1 408899523 PZUQATASWDHUSX-HMMYKYKNSA-N 462.527 4.625 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)cc1 409004978 BUQVDVMRKQAOLS-NTEUORMPSA-N 454.845 4.624 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2393357 TXPYWWIBKOYPOU-SAPNQHFASA-N 456.889 4.994 50 40 JJGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)ccc21 2657752 VXUIFDDAYVOPPA-RWPZCVJISA-N 460.509 4.855 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 3644250 DHIDHOZXVYGWHX-NBVRZTHBSA-N 454.461 4.788 50 40 JJGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCC)c(OC)c4)CC(=O)N3C2)cc1 9693546 ZJYPIFLMAONFMY-FQEVSTJZSA-N 465.575 4.712 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2OC)cc1OC 13096176 NEMJSBGQVPHWRB-MRKXZHHHSA-N 478.545 4.533 50 40 JJGB COc1ccc(-c2nnc(S[C@H](C)C(=O)NNC(=O)c3ccccc3)n2[C@H]2CCCC[C@@H]2C)cc1 13150046 LVSBLSSDRBAPQJ-SVMVAKDDSA-N 493.633 4.647 50 40 JJGB COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccco1 16196105 IZVFGYYYOPNEMO-ATVHPVEESA-N 472.482 4.675 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(OC)c1OCc1ccccc1 16930926 YRVIDRREIAKLOF-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 408787311 XENJLIYSTJHRSA-WKIKZPBSSA-N 473.407 4.965 50 40 JJGB COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccccc1 408886885 MVOOTTDPOKHSPX-TWKHWXDSSA-N 466.537 4.660 50 40 JJGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1 408973598 UOOOPYZVTODCGM-QENFSZOXSA-N 484.383 4.639 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 408975219 KPSHFTYLQDVKIQ-UXHLAJHPSA-N 477.520 4.950 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409174490 MSASDYNFCZJHQE-KBEKLNEQSA-N 475.976 4.985 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409265942 VEFCKOCVZAZPSG-NTFVMDSBSA-N 459.546 4.792 50 40 JJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)c1 10118539 MOHOUPHYKRRSEG-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccc(C(C)(C)C)cc3)nc12 13777784 MHYYZVDXXBJPDX-XDJHFCHBSA-N 482.540 4.909 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1Br 13839148 KTKHLPHUZCQDFI-UFWORHAWSA-N 490.977 4.747 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(C)cc1 16807951 NBIQUJGKLGSIQO-ZXVVBBHZSA-N 456.575 4.579 50 40 JJGB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 19830840 UKXASZBGQKSDQM-AFMDSPMNSA-N 458.514 4.514 50 40 JJGB CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1 20558279 QVNBUGKCRJWPJA-DEOSSOPVSA-N 485.565 4.612 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc2ccccc12 32123365 UQHHWTDMGNTNQN-MBTHVWNTSA-N 468.465 4.560 50 40 JJGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(Br)c1 33742182 HYSBPOFVEMMLQT-BHGWPJFGSA-N 466.291 4.507 50 40 JJGB Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2Cl)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108147460 PSRKPJWUTBLGDV-MBTHVWNTSA-N 498.048 4.915 50 40 JJGB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NNC(=O)c1ccccc1Cl 408664557 CHUWNUCBADZCBF-UHFFFAOYSA-N 494.334 4.827 50 40 JJGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409320159 PJMDVBZUSCCYAN-CEUNXORHSA-N 472.541 4.839 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)cc2)cc1 409359755 NTBOHGLLPGZNTP-VULFUBBASA-N 452.352 4.899 50 40 JJGB COc1ccc2nc(/C(C#N)=C\c3cccc(OC)c3OCC(=O)Nc3ccc(C)cc3)[nH]c2c1 409392896 TVJFOTMHNRYVMC-UYRXBGFRSA-N 468.513 4.970 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccccc1Cl 2262406 BPIJWXAEFCGJIT-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 5329565 QVYMFFWFPNICED-XFWSIPNHSA-N 473.976 4.570 50 40 JJGB COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1C)c1ccccc12 20558671 FPYPQOQFLFNALO-DEOSSOPVSA-N 485.565 4.530 50 40 JJGB C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22562383 GHDAVXLKMHMGEI-QMSNCRKNSA-N 456.329 4.820 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1)Nc1ccccc1 33334267 WOXJOPYZWLWFPQ-WGARJPEWSA-N 492.329 4.977 50 40 JJGB O=C(N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21)c1ccccc1Cl 46084842 QOVLIQICZJXBFX-QLYXXIJNSA-N 454.313 4.553 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1cccs1 58927668 ZEDQJGYAHIVJKB-HZHRSRAPSA-N 461.996 4.522 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(I)c1 408763407 NZCQTTIREZBCNH-XNTDXEJSSA-N 484.249 4.795 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1Br 408898122 URNIYBVWBPKSDI-SSDVNMTOSA-N 482.172 4.857 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1086867 SULNRVKDSLNUMX-GZIVZEMBSA-N 497.136 4.673 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 9440653 VHEUQCRPYIOVLX-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19949433 GZQAGBSPMNNDLR-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB COc1cc(C(=O)Nc2ccc(SC#N)cc2Cl)c(Br)c(OC)c1OC 20227940 KMGWFPOGLLUNIV-UHFFFAOYSA-N 457.733 4.954 50 40 JJGB CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccnc4)cc3[N+](=O)[O-])sc2c1 59459216 IVROPPJPMSKNOW-WYMPLXKRSA-N 479.543 4.913 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)NCc1ccccc1 408760403 YBXKLHZMGLIFKE-LFVJCYFKSA-N 468.534 4.831 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 408777909 LSDJFMVSLPNGGN-XAYXJRQQSA-N 477.630 4.878 50 40 JJGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408978425 ZTKUTIPWVXPHNX-JQAMDZJQSA-N 485.331 4.560 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409021002 WSACJQZSHZOVKC-MBTHVWNTSA-N 495.963 4.594 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1Cl 409194673 LDZMTWVGSCATAP-PCLIKHOPSA-N 458.967 4.951 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc2c(c1)OCO2 409357396 JAASJTIFAAMWJA-WYMPLXKRSA-N 453.292 4.521 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 2903720 BWVLOFXAYMTREL-VULFUBBASA-N 466.335 4.539 50 40 JJGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 3146013 HJJBYWSRYUVKHI-RDRPBHBLSA-N 483.593 4.592 50 40 JJGB COc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccc(C2CCCCC2)cc1 8916156 FVBGIQPHFVNVES-CVKSISIWSA-N 490.398 4.965 50 40 JJGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)cc1 13174513 RLLVRDNUTWPYCM-QFIPXVFZSA-N 463.584 4.752 50 40 JJGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 19952896 WSXYPBPEGIGHGG-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20170762 COSFFMOEOBYXQT-HSZRJFAPSA-N 498.004 4.597 50 40 JJGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1 23215178 ISWIZIFLGNTNNU-LFYBBSHMSA-N 451.704 4.679 50 40 JJGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218246 XHOSDINQUNCIGI-LGJNPRDNSA-N 451.313 4.516 50 40 JJGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(I)cc1 59473583 ZXKIXTULLKNTOI-UDWIEESQSA-N 458.752 4.718 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(I)c1 71325867 JEVWBVBJYQNTPK-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408778892 ZDBQLAHEUNUDKW-VRZRNBDWSA-N 457.877 4.506 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O)c1ccccc1 408812657 SXNUODJYRAUHNY-NGPAHMQLSA-N 497.130 4.544 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408964241 CJVBKEIOVCADID-CCVNUDIWSA-N 455.436 4.795 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409129810 MIZQVYIINDPZPX-JOCHJYFZSA-N 494.301 4.860 50 40 JJGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(C)C)c1 409156379 NOXGCYCFOBJLCU-MRGCCAAOSA-N 481.936 4.511 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409174204 TWBCYMWLWVJJTA-IYAOEYEUSA-N 492.373 4.531 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC 409322098 KLCIEPMEOCDIDJ-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB COc1ccc(-c2csc(-n3nc(-c4ccc(OC)cc4)cc3NC(=O)CCl)n2)cc1 1405148 TYHWXEXGDYDLMX-UHFFFAOYSA-N 454.939 4.857 50 40 JJGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cccc(OC)c1OC 3175147 HFTQEXAEZQNTLI-VBYICHLGSA-N 471.351 4.927 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 8973375 CCVFNKAQBIVTEY-GOSISDBHSA-N 486.391 4.558 50 40 JJGB N#Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(I)cc3)cc2)cc1 10118607 UHOAJMWJXNYOPB-AFUMVMLFSA-N 481.293 4.506 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)cc2)CC1 20240579 FWEWLPWMASFSPC-ZTKZIYFRSA-N 477.008 4.825 50 40 JJGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 28213650 AZWPWJCAEUCLDH-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 408591891 VWJBIYDFCBFVKZ-FSJBWODESA-N 471.311 4.537 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1Cl 408937587 JYWMCMQZZSNYAE-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 409004812 DSWJXRVSAVXWMG-NDZAJKAJSA-N 479.536 4.933 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCC(=O)Nc2cccc(C)c2)c1 409059146 UIWBKDZQOFUPKY-CPNJWEJPSA-N 459.477 4.706 50 40 JJGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC 409203745 YOVJZKGCQBUKQV-ZSOIEALJSA-N 450.232 4.671 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 409241796 UZMSIEDTFBBMQH-MFOYZWKCSA-N 474.344 4.801 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3115113 JLJHZABJUAKUEO-OGLMXYFKSA-N 483.480 4.669 50 40 JJGB O=C(/C=C/c1cccc2ccccc12)NNC(=O)COc1ccc2ccccc2c1Br 8873993 SUMFMYYRHARHPX-FYWRMAATSA-N 475.342 4.995 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2OC)nnc1-c1ccc(C(C)(C)C)cc1 9762390 RUOZJVFZJUPCKX-CVKSISIWSA-N 481.622 4.522 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 20058227 RQVXVMAAPLNDFS-YZSQISJMSA-N 473.957 4.523 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 35044384 QOOKMQMPHIVYFV-UYRXBGFRSA-N 459.477 4.706 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC 408725671 NLDNOYNOOXNZAW-YBEGLDIGSA-N 476.314 4.943 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408754400 KFIDFATXXRBXOW-JXAWBTAJSA-N 455.426 4.562 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccco1 409012235 JZDFQOGGLJRZQD-AQAPNKCGSA-N 480.476 4.882 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O)c(Br)c3)cc2c1 409188598 FHSSMGWXYYOXOB-NKVSQWTQSA-N 482.128 4.826 50 40 JJGB Cc1ccccc1NCC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 3116480 ZXIJOZGNDZXSJA-VULFUBBASA-N 466.335 4.539 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(C)cc1 20175682 JSVVMLZEIQXVSH-OAQYLSRUSA-N 495.377 4.985 50 40 JJGB Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3Cl)nc2s1 20331977 PPFQWWFDLNMHNI-OVCLIPMQSA-N 474.933 4.632 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2cc(C)cc(C)c2)cc1 59401585 MEPJWJQYNSBXRQ-OGLMXYFKSA-N 493.629 4.745 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 105064428 VMLHTDMDJNQKAJ-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C=CCn1c(C)c(/C=N/NC(=O)c2ccc(I)c(OC)c2)c2ccccc21 408747924 VTYFCUGJRFILOB-YDZHTSKRSA-N 473.314 4.513 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 408840135 BIHVGXTWCZCPON-NDZAJKAJSA-N 493.519 4.931 50 40 JJGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccco2)cc1 408848992 XPEJCOWVRPNOLY-QMBOSRDASA-N 479.492 4.915 50 40 JJGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408936238 FVFNDOATNCNSEK-BHGWPJFGSA-N 486.937 4.596 50 40 JJGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 408951787 JDDAJAQUCSCXPT-IVGLGHLBSA-N 485.183 4.687 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 409024671 MWJIHJZRCSPNSY-LQKURTRISA-N 489.519 4.613 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1I 409202201 PZUDIDOFNUSNPZ-KEBDBYFISA-N 474.751 4.586 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)ccc1OC 409326779 ODGNMAUQANXDQC-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)c(OC)c3)[nH]c2c1 409390026 BPAVUDABWUMLBI-GRSHGNNSSA-N 455.470 4.921 50 40 JJGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888885 JBQYEPRZZRBGLB-FYAMCCBRSA-N 471.557 4.611 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 3087012 NRBNHAAWDYTUSH-RWPZCVJISA-N 465.937 4.829 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 10476013 FKRJTDZNJDDPOQ-OGLMXYFKSA-N 450.510 4.895 50 40 JJGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)NC(C)=C1C(=O)OC 20348695 ZYMZQURSZUWLLX-DEOSSOPVSA-N 477.586 4.635 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 58918157 KFNFNHNEQBBABG-BUVRLJJBSA-N 455.605 4.526 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 59333152 YHFLXDBECZKHEU-QNGOZBTKSA-N 489.963 4.912 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 59472840 FNYONJDAORRZGK-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550871 HVMKPZNTJHFZOK-VYYCAZPPSA-N 486.355 4.712 50 40 JJGB O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408607677 NPGRDFYTHPPTTN-KRWDZBQOSA-N 498.352 4.663 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1c(F)c(F)c(F)c(F)c1F 408735243 MVKYYTZILAMBJB-WPDGFUPNSA-N 481.333 4.855 50 40 JJGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC4(C)OCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751344 FGODYNJOAFHROL-KOHNQOKBSA-N 461.562 4.515 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc([N+](=O)[O-])c1 408792401 BGIHQSFNFMKVEF-VCHYOVAHSA-N 474.429 4.636 50 40 JJGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409215371 ZVQURBJHCLYNKI-HAHDFKILSA-N 467.525 4.953 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 409216303 GTWUQDSRLOBTQG-WYMPLXKRSA-N 472.954 4.907 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 409373962 IYLAEDCTZHGRBA-AQTBWJFISA-N 454.486 4.662 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 1439525 OUUKHPMIKDEIBO-KGENOOAVSA-N 456.498 4.915 50 40 JJGB CCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 2679526 OYAVCCXDCJRCLV-CVEARBPZSA-N 455.146 4.702 50 40 JJGB N#CC(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)=C1Nc2ccccc2N1 9120508 AYRQOINUDLDAAM-UHFFFAOYSA-N 457.873 4.570 50 40 JJGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1OC 9693374 NYFTWWJSEZAPIB-HNNXBMFYSA-N 485.993 4.894 50 40 JJGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087135 IKYXOXBBIXELBL-CAVPUYEOSA-N 494.389 4.685 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc(Br)ccc1O 83326944 YNCOLNOXYPBXKP-NKVSQWTQSA-N 464.659 4.740 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1c(Cl)cccc1Cl 408609608 KMNQFWCCGQXXFB-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408640057 AEPTVQNZBPBXGJ-KBXCAEBGSA-N 454.737 4.770 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 408742775 YDGUYAFAIKQNPO-WYMPLXKRSA-N 472.270 4.839 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408743637 HKOCNCBVWLZYAG-NVNXTCNLSA-N 477.742 4.899 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408858188 NJXUJZUKQKGAFG-DFKUXCBWSA-N 484.644 4.947 50 40 JJGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2)cc1 408925265 OCNFDCAJHSMZNQ-OVVQPSECSA-N 479.602 4.554 50 40 JJGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 408977034 CHAKOEZCPPDKAE-SAMQYFKISA-N 466.365 4.554 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 409028847 RNCZLQIRWRKTOH-MTDXEUNCSA-N 471.582 4.878 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCC(=O)Nc2cccc(C)c2)c1 409049688 XTFKDENAGWNSRN-KGENOOAVSA-N 455.514 4.875 50 40 JJGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409060275 ZDBFLMYECTZBFK-CXUHLZMHSA-N 476.168 5.000 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1I 2176471 WILNTHOEHLWOFN-NTRYICDMSA-N 496.348 4.756 50 40 JJGB COc1cccc(OCc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc2OC)c1 2739796 RNSIFJBWUDUOPL-DEOSSOPVSA-N 460.530 4.734 50 40 JJGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccc(COc2cccc3cccnc23)cc1 9634703 YYVZWRMTUOEDKJ-UHFFFAOYSA-N 463.896 4.610 50 40 JJGB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(Cl)cc1 12284894 RNMRKMAINSUOEU-GHRIWEEISA-N 494.063 4.624 50 40 JJGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccccc1 15930397 OMQAVHNDFJYOMB-MOROIOLQSA-N 469.014 4.751 50 40 JJGB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1 20060877 NTRJXTYQYAJQJH-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(Br)c1OC 28217667 URNJDEDMIDAWDK-ZVBGSRNCSA-N 457.777 4.503 50 40 JJGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1I 33397171 XAAMKNLMNIKZLQ-WQLSENKSSA-N 483.103 4.608 50 40 JJGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1 59445248 RMLYUTJJEBWWKB-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2OC)cc1 408787881 HGXMERXMYQONQB-RIYZIHGNSA-N 463.715 4.833 50 40 JJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408788020 CGWUEVNACCFRIZ-WIDIOTIMSA-N 451.515 4.515 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c([N+](=O)[O-])c1 408891572 SOOBHCOTBADXDT-XDHOZWIPSA-N 487.468 4.685 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OS(=O)(=O)c1ccc(C)cc1 408893035 FAVCFGCNAWLGHB-NBVRZTHBSA-N 482.945 4.970 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1C 409010582 CGYMYRVFXDXMEF-ZUDRIXGQSA-N 494.419 4.759 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409028887 SLEIMRBIWPTWER-MTDXEUNCSA-N 493.629 4.629 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCC(=O)O 409036386 LBXJGOVYWAYILS-MUXKCCDJSA-N 489.915 4.791 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)NCc1ccccc1 409047598 OWBFDCCUWDWSBX-DEDYPNTBSA-N 490.357 4.690 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)Nc2ccccc2)cc1OCC 409066898 XEBPCQBVEZSYMY-BKUYFWCQSA-N 467.307 4.634 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)ccc1OC 409332711 HTZKMPRRHTWTNC-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB N#C/C(=C\c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12)C(=O)NCc1cccs1 1102768 DKHGKFJUFBXOJS-RCCKNPSSSA-N 480.593 4.906 50 40 JJGB COc1ccc(Br)c(/C=N/NC(=O)COc2ccc3ccccc3c2Br)c1 2176576 NGEJPTHUZJBVSD-FOKLQQMPSA-N 492.167 4.903 50 40 JJGB C[C@@H](c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1cccs1 2271613 HTMQYYOCUMKBHY-FQEVSTJZSA-N 456.567 4.919 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1OC 9972577 NOQGRHRPOQOMEH-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)ccc1Br 35394748 PRUSDWNKXGXVGF-CFRMEGHHSA-N 469.339 4.766 50 40 JJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408570439 VBSPBJMOFGCKBM-PCLIKHOPSA-N 471.648 4.693 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 408751786 CHCUWUXBHKNGLU-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 408757508 YRAGLTDHXXHVNR-XFXZXTDPSA-N 453.077 4.599 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408794883 JMJJHUGLLVAPKJ-XSFVSMFZSA-N 457.442 4.506 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C)cc2)cc1 408925312 OZIZGVANNFAGBE-MTDXEUNCSA-N 487.581 4.502 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409235819 BZUYNZWSEFRKJP-ULJHMMPZSA-N 483.568 4.677 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1Cl 409264357 DZDDKTNKEYKOJZ-FYJGNVAPSA-N 459.933 4.889 50 40 JJGB COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(OC)cc1 639170 NZNSZTRDLPRPMB-PKTZIBPZSA-N 458.539 4.520 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 716147 KLGOKFGWQHXKAR-QFIPXVFZSA-N 488.462 4.938 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1[N+](=O)[O-] 1107266 DHRFZVUHKHVDKL-HSZRJFAPSA-N 475.501 4.633 50 40 JJGB CCCOc1c(Br)cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 2799480 IMMGARSEAIMUFK-OXQOHEQNSA-N 467.367 4.840 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)cc1 3765694 CFXAKLZCESBBTI-UVHMKAGCSA-N 484.507 4.845 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 9291191 JPBKDBUGTQVZLO-HMMYKYKNSA-N 480.524 4.966 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1OC 9440017 VJWAYLFFSSTQKP-GHRIWEEISA-N 485.371 4.771 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1 16741887 BRBSDOTUWMNYSS-XMHGGMMESA-N 466.497 4.816 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19950224 ZWCHXFFIXACCGF-OVVQPSECSA-N 499.036 4.532 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 21315619 KNNBIMGOFMXITD-KNTRCKAVSA-N 462.347 4.965 50 40 JJGB CSc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 32577049 UENCJGBATZRGGC-YSMPRRRNSA-N 474.611 4.658 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 59266538 GITKJEIUSNMDCL-CPNJWEJPSA-N 457.442 4.758 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(F)c1 83292981 NHJIMYOUVXTUSW-DICXZTSXSA-N 452.482 4.585 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 108977089 YDTRVAGLKGWDFY-YVNNLAQVSA-N 463.233 4.763 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCc1c(F)cccc1Cl 408612972 XYYQZHUYPYCUOG-XODNFHPESA-N 483.927 4.772 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408761456 FPFLIEVOJJXXPS-ZSOIEALJSA-N 490.151 4.778 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc([N+](=O)[O-])c1 408922898 HKIBZFYFPNLQMM-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c(C)c1 408933177 IDSWQWFZRJTZLX-NUJZUDFISA-N 471.479 4.901 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409050094 YUADOHZYXRZOMA-STZFKDTASA-N 455.514 4.875 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 409066419 AQKJLUHSQUSBFS-FOWTUZBSSA-N 456.882 4.792 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2nc(C)cc(O)n2)o1 409102710 ZIVVSKQHXMNNGM-XYOKQWHBSA-N 487.335 4.552 50 40 JJGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409134585 SHNUEJBVDLPTEO-AWEZNQCLSA-N 476.421 4.838 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409137626 WJPDCQKFDVRXSD-OAQYLSRUSA-N 496.317 4.751 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@H](CN)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953075603 JPABGQWTUJHPME-XZOQPEGZSA-N 482.741 4.537 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1OC 1434443 JDELGBJMLCSGCG-ZMOGYAJESA-N 457.324 4.539 50 40 JJGB Cc1n[nH]c2c1[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 2743731 HDFCEJRRDLQURU-LJQANCHMSA-N 471.742 4.931 50 40 JJGB CCCn1nc(C)c2c(C(=O)N/N=C(\C)c3cccc(OC(F)F)c3)cc(-c3cnn(C)c3C)nc21 22754804 MMQOWEJRVCBGMX-AMVVHIIESA-N 495.534 4.614 50 40 JJGB COc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 83319757 CMDYFWVZBVNORS-UKWGHVSLSA-N 452.102 4.730 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1OCc1ccccc1 108974206 ZBMYWYCZQNTUQF-VULFUBBASA-N 451.910 4.650 50 40 JJGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408728187 IXNOOMQIIWKSSY-MSXFZWOLSA-N 465.307 4.641 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408774708 CSEJPFPUEBCMDM-PDGQHHTCSA-N 475.461 4.698 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1C 408825394 CWYRXGCICFWCMY-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409089803 KDLVRKVBSWRJDE-SFQUDFHCSA-N 488.412 4.628 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1C#N 409140385 ROPNINYJLYRYQE-QHCPKHFHSA-N 459.889 4.723 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1 409326470 KMKLCHRKWNSZBC-SFHVURJKSA-N 486.391 4.558 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 797782 GDFSSUJPPMCUGL-HYARGMPZSA-N 460.493 4.894 50 40 JJGB N#CCC(=O)NNCc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 843491 RNVQYQALTQWCNH-UHFFFAOYSA-N 451.486 4.754 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 1474592 VKZIKCCPYJVADM-JVWAILMASA-N 487.585 4.502 50 40 JJGB COc1cccc(COc2ccccc2/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 3083699 BDAHIMCOUUHSKU-CIRUFVMISA-N 483.362 4.954 50 40 JJGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OCC)cc2)cc1OC 12276102 GVSMDFSSORPCMG-IBVKSMDESA-N 480.586 4.526 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2ccc(Br)cc2)c(OCC)c1 13881203 JUBFYWTZHBDPSG-GHRIWEEISA-N 460.324 4.776 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccccc1F 20348626 BXHUYKSTBFITKT-QHCPKHFHSA-N 465.550 4.683 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)cc1 28214226 IKHNLVHTCYIWFF-JEWIKEISSA-N 498.004 4.997 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 408611947 SSHQCPCKTAQOID-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 408779195 SCGACPWOPAEBCS-SILNSSARSA-N 499.483 4.551 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 408792847 COUVLBZAZNDGDC-LICLKQGHSA-N 487.350 4.644 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1 408795151 LIINAHQIESRBEO-SYVPYPDPSA-N 473.960 4.820 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 409267237 MRDOWNBUUJIQDC-YSMPRRRNSA-N 496.361 4.629 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1OC 8779842 SROOZENDGBUASV-NYYWCZLTSA-N 478.144 4.954 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccnc3)n2-c2ccc(Cl)cc2)cc1 9199137 NTVUQSFVBMZKDG-YUMHPJSZSA-N 492.992 4.624 50 40 JJGB CCOc1ccc(/C=N\NC(=O)CC(=O)N/N=C/c2ccc(OCC)c3ccccc23)c2ccccc12 11612324 CRRQRVZKEKLALJ-LJHNCSMGSA-N 496.567 4.781 50 40 JJGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658461 ZWXJPKDJROYOTJ-RUZDIDTESA-N 472.497 4.540 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1[N+](=O)[O-] 59676781 UXVSTXFFWCVORU-KQWNVCNZSA-N 469.545 4.567 50 40 JJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OCC 408547164 SNIIZHVEWUVFGJ-WOJGMQOQSA-N 464.543 4.787 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F 408610239 MXOCRJYZEYVDKH-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 408796456 YERFPZMMBRBTKX-GZTJUZNOSA-N 486.309 4.556 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccs1 408841971 MRUAZSSMDRQOQX-OEAKJJBVSA-N 482.414 4.791 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409009360 DSYWXHGKEHQMSR-MIXAMLLLSA-N 482.540 4.576 50 40 JJGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc(Cl)c1Cl 409019781 XERILKMZQKNUNT-MTYDYXEWSA-N 464.393 4.670 50 40 JJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409260087 KLTVLANDWXGPOK-IPPDYPEDSA-N 461.949 4.731 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1 409264444 KIVMCBJVOASKSL-QFEZKATASA-N 466.335 4.539 50 40 JJGB COC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OC)c1C 2340628 YQHNQDRYLXJRCT-LCYFTJDESA-N 484.515 4.638 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3ccccc3c2)cc1 6135761 VSRLVSVCXRAPAY-FKQSSIBNSA-N 462.553 4.827 50 40 JJGB COc1cc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)=O)cc1OC 9065349 SHALIACKIFAPGS-RVDMUPIBSA-N 450.476 4.915 50 40 JJGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccc(Br)o1 20168671 XWNLVYMWYFWKOF-UHFFFAOYSA-N 494.392 4.579 50 40 JJGB CC(/C=N\NC(=O)C(=O)Nc1ccccc1I)=C/c1ccc(C(C)C)cc1 32706859 AIOXXLFDONWDQN-PTFJRYMXSA-N 475.330 4.559 50 40 JJGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 58918220 FVUKHFZVJWMRHD-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 58925585 JPLFGOXGZISJCE-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 59401617 VVHHVIUYYCCBCF-UHFFFAOYSA-N 459.587 4.730 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I 408789260 HZKQRFJIIQCGCR-NTUHNPAUSA-N 497.130 4.916 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(F)cc2)cc1 408791345 WGCNGUWVXLWSRZ-JVWAILMASA-N 467.566 4.603 50 40 JJGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408796249 OQEOIWJYWWEGAD-WUXMJOGZSA-N 484.133 4.853 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(F)cc1 408965511 HXVMZAVLPFMIIA-VFLNYLIXSA-N 489.425 4.635 50 40 JJGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409123224 ASSNAQCSLSWULI-CYBMUJFWSA-N 462.394 4.530 50 40 JJGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409225912 SQPGAODYCZASEZ-JQYQIWQESA-N 494.847 4.539 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OCC 409325427 YOVGLDOFVGEDGF-PKAZHMFMSA-N 475.501 4.901 50 40 JJGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1 2306970 DHTUYTNITDNMSD-ZCTHSVRISA-N 484.527 4.800 50 40 JJGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccc(F)c1 2352086 UTIRUUQJIXMHCZ-ZVBGSRNCSA-N 452.989 4.865 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1cccc(C#N)c1 8812827 GMVUOFFCTLNEEW-VULFUBBASA-N 464.319 4.672 50 40 JJGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 12628900 GQBRJLRVGZSQEU-OKCVXOCRSA-N 486.528 4.616 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S(C)(=O)=O)c1 20208349 WKZRUKHHPDCINP-BRJLIKDPSA-N 494.400 4.787 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 23215070 LJOLSZXPAUMBGD-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB COc1cc(/C=N\NC(=O)c2sc(N)nc2C)ccc1OCc1ccc(Cl)cc1Cl 31853599 VTQIJCYMMUTSFY-OPVMPGTRSA-N 465.362 4.692 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 59472828 CIMPBNXJBFEULO-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 408750962 UPIMKVTWGJAVCJ-COEJQBHMSA-N 467.569 4.879 50 40 JJGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(OC)c1 408791519 ZNOAMYOWYZJSFK-PDGQHHTCSA-N 490.341 4.654 50 40 JJGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(N2CCCC2)cc1 408840721 DIRLWPNEXIQAHZ-MZJWZYIUSA-N 473.524 5.199 50 40 JJGB COc1ccc(C)cc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 408883756 VXOWYQHZRHUTAS-UHFFFAOYSA-N 471.623 4.724 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 409225026 LPOANCLLFQYSFZ-YYKDSVGLSA-N 479.876 4.640 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(F)cc1 409251999 BAROTDSXFSSNAW-GWPKRETCSA-N 489.547 4.615 50 40 JJGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 2310288 XHMBNPWOWMWRPZ-VQTJNVASSA-N 469.950 4.680 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c(O)c1 4045781 QRTKUOPJDCEINR-MFKUBSTISA-N 454.368 4.847 50 40 JJGB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2Cl)cc1 9634585 ZHARHNUESFGRMZ-VAWYXSNFSA-N 487.947 4.600 50 40 JJGB CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 12292094 QIWROGBXJAZQAR-UHFFFAOYSA-N 489.022 4.633 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)COc1ccc(Br)cc1C 12445958 UMGNQONZBRZJEI-WYMPLXKRSA-N 487.181 4.964 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19926270 IFGCXGPRTLSHAI-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 31892805 RVQXTCAOMWMLRG-MIXAMLLLSA-N 499.640 4.783 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 105062107 DYKQEZIOAJPMBH-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408612467 VNWNOLMCAUJCMP-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)C4CCCCC4)c23)C1 1223126 JSSMCTGMCCCWQU-OAHLLOKOSA-N 460.669 4.662 50 40 JJGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1OC 9693325 NAYXNFRETUKYPB-QGZVFWFLSA-N 455.967 4.885 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)c(OC)c1 9693406 GRGCTIFMODDHDZ-KRWDZBQOSA-N 486.391 4.686 50 40 JJGB CCCCN1C(=O)CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1OC 57960474 IDYDNJFYDLRNCJ-KNQAVFIVSA-N 463.500 4.937 50 40 JJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 59333240 DQMGRNLBWJYTNI-RGEXLXHISA-N 484.394 4.502 50 40 JJGB O=C(Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1)c1ccc(Cl)cc1 59921860 FPDHLFDGKBOVAK-NDZAJKAJSA-N 484.939 4.945 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O 408660186 WKSYYOMVMHBYOD-SFHVURJKSA-N 481.763 4.770 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1ccccc1Br 408719429 DYULENWBQZOECT-AWQFTUOYSA-N 472.202 4.604 50 40 JJGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1 408778806 LJHDGUCICRYVJX-JVWAILMASA-N 459.571 4.526 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 408794266 INQMAINQFWBGOY-GZTJUZNOSA-N 486.309 4.556 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1Br 408815556 XDPOAEMPBLGFDD-OQLLNIDSSA-N 477.742 4.899 50 40 JJGB N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408816013 KCUQBTHENAGRHN-XFFZJAGNSA-N 471.138 4.731 50 40 JJGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccco3)cc2)cc1 408839134 NQPULELWGZUBTB-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 408900910 YZYVDYBWEVBSOC-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408906792 KLAQUXKLQWLBNC-MRAZWZEMSA-N 479.964 4.727 50 40 JJGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC=C)c(OCC)c1 409324846 VWERBSYGWBCHKM-IWIPYMOSSA-N 459.340 4.741 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OCC 409367513 CRFGCRMFSXGYIK-SRZZPIQSSA-N 470.161 4.773 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1 2418613 HGAWZFAIPSGSEV-KNTRCKAVSA-N 466.497 4.740 50 40 JJGB O=C1C(Cl)=C(Cl)/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)C1(Cl)Cl 11565545 LMAAQFHDBBYMDP-XPAGJJBOSA-N 455.961 4.523 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408946580 APIFMNLEBPPPHG-HMAPJEAMSA-N 466.497 4.921 50 40 JJGB C=CCn1c(C)c(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21 409000795 YANQRZDKXICCON-ZCGOLBPFSA-N 490.604 4.696 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409260028 JMKKUDZJVFSATP-NTFVMDSBSA-N 459.546 4.792 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc([N+](=O)[O-])c1 30742788 QXIOPBOVEUMOTL-UKWGHVSLSA-N 479.996 4.634 50 40 JJGB CCc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 108030131 JSBJVPMTIKFRHD-PKAZHMFMSA-N 469.651 4.648 50 40 JJGB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408690981 XNVBLEXJTAQRJA-UPGMHYFXSA-N 462.727 4.642 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 408763428 DUFWMLJSAXCWLP-RCCKNPSSSA-N 455.514 4.957 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 408764405 RTDWSMGHZIACLM-VUTHCHCSSA-N 482.540 4.657 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408773548 RPVNUPAQVFRPQQ-HPNDGRJYSA-N 463.603 4.656 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409005176 DBCKBZXZCWNZRQ-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)c1 409005968 GRUMGLNLGLIAOT-AFUMVMLFSA-N 466.335 4.539 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409228345 XQRNTCLNSGEURF-KQWNVCNZSA-N 471.513 4.838 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 409361143 GTEOJFXUOHWFPJ-YSMPRRRNSA-N 483.362 4.738 50 40 JJGB CC[C@H](Nc1ccc(I)cc1C)C(=O)N/N=C/c1cccc(Cl)c1 2744250 MQWNGJNEDGDFCI-XYHOIZSOSA-N 455.727 4.594 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OC(=O)c1ccco1 3237011 KTGHFFHUYUDGFM-RWPZCVJISA-N 475.476 4.818 50 40 JJGB COc1ccc(N[C@@H](C)C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 8398552 WALADQCSKJDDDG-KRWDZBQOSA-N 482.378 4.987 50 40 JJGB aggregator C=CCN1C(c2ccccc2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 12558613 WFPSOLYANZNWNI-YYDJUVGSSA-N 468.586 4.529 50 40 JJGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1 18032364 BMMLAPPSQLDUMJ-KVSWJAHQSA-N 461.827 4.978 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(Br)cc1OC(C)C 20175483 VKGUMZSWIQCDNG-XDHOZWIPSA-N 457.368 4.901 50 40 JJGB COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1 28217786 OXXKHQIMPASXSR-DHRITJCHSA-N 494.817 4.626 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33715112 AQZSACNKVDNRKP-MHWRWJLKSA-N 495.894 4.756 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 408692669 RWYXFPMKROMTNA-CCVNUDIWSA-N 466.969 4.875 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 409208895 ATIMVKSUWFBFPK-SXGWCWSVSA-N 475.295 4.762 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409239589 ZKVYLGVQIKIXQB-MUXKCCDJSA-N 483.927 4.506 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OCC 409332686 HRYMDRACHJDRJH-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cccc(Oc5ccccc5)c4)c(=O)c23)C1 954720 HNWRISNAFULTQA-GRJIBALVSA-N 472.570 4.525 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 9261727 JQXDGBLJSNDECV-KGENOOAVSA-N 466.497 4.830 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 11296879 SYBRCROZZPYTIK-CPNJWEJPSA-N 495.499 4.757 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1C 12542753 PYCOJZSTCMWODC-KOEQRZSOSA-N 455.558 4.871 50 40 JJGB CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 14361454 LMEXWWAVIQSNIS-QGOAFFKASA-N 456.458 4.680 50 40 JJGB CC(C)Oc1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 26608274 MUZWKOUVEGYRQA-CLJLJLNGSA-N 493.567 4.536 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C(=O)O)cc1 33660382 YMGPCTZERWVOBC-MUFRIFMGSA-N 484.508 4.898 50 40 JJGB O=C(NC[C@@H]1SS[C@H](CNC(=O)c2ccc(Cl)cc2)S1)c1ccc(Cl)cc1 41097462 NNUXBNTZFNUFCC-IYBDPMFKSA-N 459.445 4.934 50 40 JJGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN4CCCCC4)cc3[C@@H]3C=CC[C@@H]32)cc1 58917272 KHLRGBLYAZVHKY-FPLMMNGCSA-N 486.616 4.626 50 40 JJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(Br)cc1 408589941 NNWKKHRRFMJWKV-CIAFOILYSA-N 452.443 4.893 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 408792149 ITCPPWYYKAKHHQ-VZUCSPMQSA-N 470.106 4.765 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC 409312272 KMWBMCSLCKKQBM-MYYYXRDXSA-N 491.382 4.974 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409384572 DCVVJOVFCNNDKC-BKUYFWCQSA-N 460.490 4.668 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1867563 OMRUMRAATYYSFF-SSDVNMTOSA-N 478.068 4.792 50 40 JJGB C/C(=N\NC(=O)c1ccccc1N)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 13322041 BEYSZFYPNGEACG-CCVNUDIWSA-N 471.344 4.747 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCc1ccco1 16430248 RGMJGXCPZBEYSZ-YVLHZVERSA-N 482.290 4.753 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)n1 20243932 KNDGCMHDLGMRPI-FOKLQQMPSA-N 472.412 4.506 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 22740607 DLOYTFJVCVTDBN-JOCHJYFZSA-N 483.459 4.921 50 40 JJGB Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4cccs4)cs3)cc2)no1 101179210 KXKSMWICLPZPPT-KAMYIIQDSA-N 469.573 4.945 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(=O)O)cc1 111506691 MNXLXEGCIDJCTP-HMAPJEAMSA-N 452.514 4.540 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C(C)C)cc2)cc1 408858726 LKWKESIXTIMISD-MFKUBSTISA-N 469.632 4.834 50 40 JJGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888920 IDNQIUZWKCILIZ-UZEPBSNMSA-N 485.584 4.919 50 40 JJGB COc1ccc(C(=O)NNc2nc(SC(C)C)nc3sc4c(c23)CC(C)(C)OC4)cc1 2442090 CNRFBWONDSOGIT-UHFFFAOYSA-N 458.609 4.809 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)ccc1OCc1ccccc1 9374728 QLHMLQBKEQYXEE-MUFRIFMGSA-N 465.513 4.910 50 40 JJGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 12137143 OELSGKGBBPXVRD-LJQANCHMSA-N 459.546 4.567 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 13940487 CKBRLHHOZVTAED-KGENOOAVSA-N 485.540 4.884 50 40 JJGB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 36243638 WMVYBBWDFRHJPT-VLYIEVRMSA-N 478.505 4.851 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCc1ccccc1 59197648 VBXQQCUYYBRAIG-WSDLNYQXSA-N 492.338 4.704 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 59472832 JAXJZGFDHQNJBP-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 103918372 ICJQJMROSDSGEU-MOHJPFBDSA-N 494.592 4.594 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC#N 408793058 CWBASNRZIOGZLF-LICLKQGHSA-N 454.324 4.913 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc([N+](=O)[O-])c2)cc1 408813480 XSCSWTPJNAXHND-DEDYPNTBSA-N 487.468 4.515 50 40 JJGB C#CCOc1c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)cc1OC 408818033 ZAXRIXIBOUFVJQ-WPWMEQJKSA-N 477.358 4.752 50 40 JJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408838757 HYQNQPVUOOINDZ-WYMPLXKRSA-N 457.273 4.918 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCc1ccco1 408864215 UABAXFXXXWNWLT-ZDLGFXPLSA-N 481.302 4.543 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CC(C)(C)CC2=O 409129899 MPXFYDXAEHSPNN-AREMUKBSSA-N 471.601 4.957 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1 2268869 FGLZSYHBNKQSPH-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB O=C(NNC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccc1Br 8825623 HKUHTVLNAIJBNX-UHFFFAOYSA-N 482.359 4.957 50 40 JJGB CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc31)C(C#N)=C(N)O2 9158054 NEYKTUDUWZKNPE-DEOSSOPVSA-N 480.355 4.588 50 40 JJGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc(Br)c1O 9704302 SEWRYUNVNHRCAU-VGOFMYFVSA-N 487.169 4.654 50 40 JJGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16735494 JDTZZDJYLYIVIY-JQIJEIRASA-N 472.888 4.694 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 23382707 OFTIZDMFALDOSL-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)c1c(I)cccc1C(F)(F)F 95611989 VATZFIQZAMDZQI-UHFFFAOYSA-N 472.184 4.949 50 40 JJGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2cc([N+](=O)[O-])ccc2s1 107958338 WHCWVDFHZYAYJY-UBKPWBPPSA-N 473.102 4.691 50 40 JJGB COc1cc(N2N=C(C)/C(=C/Nc3nc4ccc(SC#N)cc4s3)C2=O)ccc1Cl 408529839 ICVHBGLDRSKIOG-ZROIWOOFSA-N 455.952 5.250 50 40 JJGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3)cc2)N2C(=N1)SC(C#N)=C2N 408603258 FIOHXGCFVPLHOO-QHCPKHFHSA-N 474.586 4.994 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 408606951 BHQHGTWUFMTMTQ-MZJWZYIUSA-N 469.900 4.546 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1 408773366 PXNHNXGEUJLOJG-FDVSRXAVSA-N 471.479 4.982 50 40 JJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 408876954 SATOWQLKLQPOII-LQKURTRISA-N 494.661 4.751 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 409043438 FHCRPZBPXZGUBP-KGENOOAVSA-N 455.514 4.875 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)ccc1OC 409326808 OMYQMTDERHLAHV-DICXZTSXSA-N 481.936 4.529 50 40 JJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 1415729 BRDVDVROXHOSHD-NSKAYECMSA-N 485.447 4.507 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 4456298 OXSVAPMZXXCHLF-QEGSXJIISA-N 499.552 4.510 50 40 JJGB C[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl 6177539 CJIRCQLSUKSMNK-AAYSYCFMSA-N 463.899 4.887 50 40 JJGB C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 8397092 IBJXERLHBUOKFG-CLCAUBNZSA-N 491.665 4.553 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 9359588 MYIIOMAFBHBORD-GOSISDBHSA-N 451.870 4.645 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 34846501 OJOIBTHHFIEPGH-JJFYIABZSA-N 462.687 4.964 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1 59333632 WKHMHUUMIFGFEO-OVCLIPMQSA-N 496.732 4.527 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59335249 QIGFPTKUSOLMKQ-NVNXTCNLSA-N 477.742 4.899 50 40 JJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I 408745991 PVCBMXOQPKZOEM-UVTDQMKNSA-N 462.674 4.502 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 408758296 IMCGGTHFCWZJQX-CVKSISIWSA-N 451.910 4.520 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCC(=O)OC 408787583 CCRMNBDEJQFOHJ-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2)cc1 408978833 KPZCIFQEOVBGCK-UIZNLQPJSA-N 471.582 4.708 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C2=C1CCCC2=O 409124106 KDIKTXBEOJCKNG-JOCHJYFZSA-N 464.909 4.557 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3F)cc2)C2=C1CC(C)(C)CC2=O 409131040 JJJHFKHEWJUZTJ-RUZDIDTESA-N 475.564 4.787 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)cc2c1 409184180 JJGCSMOOUUUDRI-DICXZTSXSA-N 458.470 4.873 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c(Br)c2)o1 409256853 MNNVSHIBRQYIEX-SSDVNMTOSA-N 458.268 4.698 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 2077294 YUMVGIANDVPLOU-OGLMXYFKSA-N 454.482 4.840 50 40 JJGB CCc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 2312018 QBQGOEZYWKKHBZ-SFHVURJKSA-N 470.392 4.722 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccccc3Cl)nc12 2430953 WZRVOCUBFOZGAU-CAPFRKAQSA-N 484.943 4.715 50 40 JJGB Cc1cc(Br)c(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1C 2801847 YBLZSNCAYBQIBO-LGJNPRDNSA-N 496.361 4.553 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1 20240499 AGMFPXVWXGJWES-XHLNEMQHSA-N 461.009 4.812 50 40 JJGB CC(/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C\c1ccccc1 22637366 WKFYCNUAOKZDQB-YIBVUENRSA-N 452.558 4.729 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccccc1 33334254 BIOLJPLPUJUMME-WGARJPEWSA-N 492.329 4.977 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C#N)c1C 33644325 GXTPTTYIINMGCX-XNTDXEJSSA-N 475.482 4.992 50 40 JJGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cccnc2)c1 59417196 LVIJYQYKDGVTQX-RPPGKUMJSA-N 460.368 4.573 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408676385 HZMIMUPSNRXXOP-WSDLNYQXSA-N 481.188 4.584 50 40 JJGB COc1ccc(C)cc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 408775988 LUEOSEBQHPTSHJ-XAYXJRQQSA-N 493.629 4.632 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 408820559 YPKPWCNXOMJANY-STZFKDTASA-N 466.497 4.830 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 408881493 NOZBAQWCKTUBBT-CJLVFECKSA-N 454.482 4.937 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1 409014009 OLISZOKEGJKVHF-WKIKZPBSSA-N 486.355 4.848 50 40 JJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(O)n2)c1 409101785 RIVSOHTUPMQRSS-LICLKQGHSA-N 461.503 4.713 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)c(C)c1 409261987 GOZCWYYBYAIEOR-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888915 INLNTABMIMQIFQ-IEQIIXMPSA-N 485.584 4.919 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 2888283 QVYKINCZMPCHJM-JSIHEXFSSA-N 477.973 4.984 50 40 JJGB N#C/C(=C(\OC(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F)c1nnc2n1CCCCC2 3353214 JYYLNJRUBDZHDS-SFQUDFHCSA-N 459.255 4.894 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 207830158 ZOYCDTJTQGEKRH-ZHZULCJRSA-N 462.527 4.625 50 40 JJGB O=Cc1cc(Br)ccc1O[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 257350986 BLLFLEXWBCJYNS-NDSDBLNTSA-N 465.185 4.677 50 40 JJGB C#CCOc1c(CC=C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 408570403 UNBQYEAVZCEQDA-WPWMEQJKSA-N 496.654 4.834 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408615777 SCZVWPRRDLEWHL-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC 408724382 DUUAJROEKDIICX-GDNBJRDFSA-N 492.313 4.643 50 40 JJGB N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)Nc1ccc(Cl)cc1 408746424 SOVMJPFFURTURX-YHYXMXQVSA-N 459.070 4.849 50 40 JJGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408871325 XSHNQKUWKYEQDR-AWNIVKPZSA-N 452.679 4.889 50 40 JJGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408935358 DNKWFFKWMCOHCD-BHGWPJFGSA-N 474.742 4.972 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409236945 HCNBXADXDSMOEQ-MOHJPFBDSA-N 453.542 4.669 50 40 JJGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 409267045 RTPGBGMYGONCLP-BFWPAWLWSA-N 465.912 4.561 50 40 JJGB Cc1ccc(-n2c(SCC(=O)NNC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 3186772 BYCIVMZOSWCCGD-UHFFFAOYSA-N 492.992 4.841 50 40 JJGB CCOc1ccccc1NC(=O)c1c(NC(=O)CBr)sc2c1CC[C@H](C)C2 8768930 JIHLCYJEDUFTSH-LBPRGKRZSA-N 451.386 4.857 50 40 JJGB CCc1cccc(CC)c1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O 408644166 GWYCPOKSZDONDW-PZJWPPBQSA-N 459.945 4.727 50 40 JJGB COc1cc(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1OC 408854149 YNCMLGFCFQWUAW-NKVSQWTQSA-N 482.128 4.739 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(C)cc2)cc1 408863850 RIKCULDHRVEMQR-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccc(C)c(C)c2)cc1 408870674 WJIQHKADMUHXTI-MZJWZYIUSA-N 487.984 4.750 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC(=O)c1ccccc1 408889936 LJKIKDMSGLZJPP-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OC(C)C 408970539 BCLUGDHRCFRUTF-FOKLQQMPSA-N 461.312 4.764 50 40 JJGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cccc(Br)c1 408996724 MUFDVTDMOWNFFB-WSDLNYQXSA-N 479.400 4.587 50 40 JJGB O=C(N/N=C/C=C/c1ccco1)c1cc2cc(Br)cc(I)c2o1 409008894 AACNXELSNINBBH-OUAUFZNTSA-N 485.075 4.822 50 40 JJGB Cc1ccc2c(c1)c(/C=N\NC(=O)CSc1nc(C)cc(C)n1)c(C)n2Cc1ccccc1 409040317 SZULBLHQQJOHNW-VYYCAZPPSA-N 457.603 4.956 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 409265816 PLEJJSMBSVOYNR-QFEZKATASA-N 466.335 4.539 50 40 JJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)ccc21 2057376 RJAVNUXZLAZRHU-YABZZONLSA-N 460.603 4.710 50 40 JJGB COc1ccc(SCC(=O)N/N=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 13381815 AZBHBHYHBCZJIX-MBTHVWNTSA-N 454.555 4.812 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1F 20348424 LYWBMKCGPPIHKW-DEOSSOPVSA-N 477.561 4.931 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1O 30840596 MVBPQCTUMXDEJO-QFEZKATASA-N 469.335 4.750 50 40 JJGB O=C(COc1cccc2ccccc12)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408540750 BMMIKRTZVFCBBU-MUXKCCDJSA-N 467.481 4.663 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408659644 WEEKUPVFOYVSGR-SUMWQHHRSA-N 472.727 4.909 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1 408758740 QERHJNZDLCZWNV-PXLXIMEGSA-N 456.498 4.997 50 40 JJGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 408765420 PMAAUZRVTISJPH-NTUHNPAUSA-N 464.113 4.683 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br)Nc1ccccc1 409193672 KOBZCDOZNABFAE-DHRITJCHSA-N 486.753 4.884 50 40 JJGB O=C(Nc1ccccc1)N(C1=NC[C@@H](CI)S1)c1ccc(F)cc1F 1649990 MYXWVAAOLVVCHA-CYBMUJFWSA-N 473.286 4.910 50 40 JJGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 3274398 NDKBPDUGZPXMMK-UHFFFAOYSA-N 459.552 4.712 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c[nH]c4c(CC)cccc34)cc2)cc1 3400096 DXMWNYRFPOFRJK-OGLMXYFKSA-N 490.585 4.694 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 12375991 KNESGTXEJLZTDT-JVWAILMASA-N 475.888 4.894 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 16350113 ALSLMNVYAPROLM-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)/C=C/c2ccccc2)c1 22532922 ZOKHCNAGZPKTAN-GRNXZKBVSA-N 452.308 4.848 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38658522 WECAYIWSBIWMGU-SANMLTNESA-N 486.524 4.928 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 408888751 ABFLEAQOXOHTHJ-GHRIWEEISA-N 483.343 4.762 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1 408898133 UUTBLXDTCXGIDR-XDHOZWIPSA-N 459.458 4.737 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408966704 PZRLBMRLDNEVRW-DNTJNYDQSA-N 497.099 4.639 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1 409227316 ZHJIXEYWLLVPNY-DICXZTSXSA-N 479.920 4.680 50 40 JJGB COC(=O)c1ccc([C@@H]2C(C#N)=C(c3ccc(Cl)cc3)Nc3nc(C(F)(F)F)nn32)cc1 2654126 YIKVDTLKKVRTRD-QGZVFWFLSA-N 459.815 4.687 50 40 JJGB COc1cc(Br)c(OCC(=O)N/N=C/c2cccc3ccccc23)c(Br)c1 3115976 JDAXBVLWKQCJDM-FOKLQQMPSA-N 492.167 4.903 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 12465847 SEPGEOJKCKUGQM-HZHRSRAPSA-N 486.644 4.697 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(C)cc1 13122327 WEMSLMOXFCJHNH-XSFVSMFZSA-N 470.481 4.857 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 19949368 PVNYELMNRUSZKU-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB COc1cc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C3CCCC(O)=C32)ccc1O 102600416 ORBCGSCWOPLEAP-DEOSSOPVSA-N 475.570 4.720 50 40 JJGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br 408798148 UUCPRGMJYJTLCD-VGOFMYFVSA-N 463.715 4.508 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc2c(c1)OCO2 408808945 FZTFFPOJSNHYEK-OYKKKHCWSA-N 482.536 4.955 50 40 JJGB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc([N+](=O)[O-])ccc3OC(C)=O)cc12 409298592 OVYQYCVFGDZISS-UHFFFAOYSA-N 498.451 4.534 50 40 JJGB CCCOc1ccccc1/C=N/NC(=O)COc1c(Br)cc(C)cc1Br 2055703 LHKTWNLWYVNHTD-SSDVNMTOSA-N 484.188 4.838 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 16043587 IJAZJUMLNZEFSA-GCEADWQWSA-N 497.661 4.814 50 40 JJGB COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33415939 RTVUOMFTNWJOJW-DICXZTSXSA-N 488.500 4.947 50 40 JJGB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)c2C)cc1 408668613 MIQDJEWPYLBVTG-UHFFFAOYSA-N 487.943 4.790 50 40 JJGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1Cl)OCc1ccccc1 408736681 FGXKHKIYGGOXMV-KVUWKNAUSA-N 474.948 4.809 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(I)c1 408786094 LWSMYLKYSBBBIB-SXGWCWSVSA-N 480.733 4.955 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1)S(C)(=O)=O 409136690 YLPQHTRWQVYYNI-OGLMXYFKSA-N 487.581 4.584 50 40 JJGB COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1OCC(=O)Nc1ccc(C)cc1 409216280 JQAPZJRCLANQBM-MZJWZYIUSA-N 498.004 4.917 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(I)cc1)c1ccccc1 409236023 FAWYRIZIBZTMNO-VVZNPABPSA-N 467.310 4.866 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1 409267802 XSKHZPBZQLAIEB-LFVJCYFKSA-N 460.372 4.887 50 40 JJGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 778276 SJKTYWXZGGEDOW-CJLVFECKSA-N 483.549 4.612 50 40 JJGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2cccc(OC)c2)cs1 1245229 YAXGDNHMUBYLJJ-NTCAYCPXSA-N 451.504 4.599 50 40 JJGB COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 1444613 PAYAODRZOKUREC-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB C/C(=N\NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1cccc(Br)c1 8405051 RXTAQVIXFUPAJR-XFVPJXQESA-N 462.347 4.760 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 9235522 FFBDKVFFJBKDNJ-RCCKNPSSSA-N 455.514 4.875 50 40 JJGB CCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1OC 11582428 HPYTUPUAUSCOER-MRXNPFEDSA-N 463.372 4.863 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F 20348450 VPSWPQBDVVXZJV-QHCPKHFHSA-N 481.524 4.762 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ncccn2)ccc1OCc1cccc(Cl)c1 59503042 KXXMBTYCVCTMFX-NKZWWHGNSA-N 470.982 4.739 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Br)cc1 108087997 IZKKPIJRULKGIZ-VULFUBBASA-N 496.361 4.759 50 40 JJGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)cc1 409234441 WOVZDVDYRWRHKX-CVKSISIWSA-N 464.639 4.590 50 40 JJGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1 1804702 VPBNFMIIPNYMIK-CVKSISIWSA-N 474.611 4.568 50 40 JJGB COc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nc3ccccc32)cc1 2621115 UHNLIWVIXPUTPT-UHFFFAOYSA-N 453.527 4.968 50 40 JJGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C(=O)OC)cc(C(=O)OC)c3)n2)cc1 9016028 NDJRRKOYECWTAO-AQTBWJFISA-N 463.515 4.759 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OS(=O)(=O)c1ccccc1 9059221 CSKBIZISCZHGHQ-SFQUDFHCSA-N 468.918 4.662 50 40 JJGB CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 100094993 PQNMPFJSCQTRTD-QFIPXVFZSA-N 494.544 4.978 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(=O)O 408790523 PXHZSAWCBXBBLO-AWNIVKPZSA-N 479.714 4.510 50 40 JJGB COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 408803637 RLULCFQHCMXXKH-XMHGGMMESA-N 466.379 4.820 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 408867895 KKKCCMRWQQIPPX-ZXVVBBHZSA-N 479.602 4.520 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408881391 MXDXGUPFVAJZLV-LSHDLFTRSA-N 456.867 4.892 50 40 JJGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1Cl 409021084 XRIYOKSXGRBZHW-OHBSIKEHSA-N 472.710 4.591 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409260653 UECOOWZIPRYZAQ-DICXZTSXSA-N 481.936 4.529 50 40 JJGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c1C 409323507 PNFQLIBQBLZOQR-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 3102323 RXOWQVHCZNSWLE-RPPGKUMJSA-N 461.276 4.881 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 8454609 FDAXBVJEFKKILH-QFIPXVFZSA-N 472.900 4.711 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)C2CCN3CC2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 12374962 LCFVCVAZHJGMFV-HXUWFJFHSA-N 459.600 4.683 50 40 JJGB CN1C=CC(=C(C#N)C(=O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)C=C1 12761894 DLAXECIYMFNKIC-UHFFFAOYSA-N 457.534 4.587 50 40 JJGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1 13769326 RETHKRIIFNSYOI-PXLXIMEGSA-N 464.525 4.635 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 14921851 UXUBWCQUXQTAPQ-CVKSISIWSA-N 479.558 4.956 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1Br 15227450 SAZFHMCYXOHNBH-AZWZXGBGSA-N 456.178 4.822 50 40 JJGB CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 34798748 DCYOBSSXIAHXMC-MPGHIAIKSA-N 458.914 4.936 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccccc3Cl)c3ccccc32)c1 408542109 HCZXFMDNZNBCPV-MUXKCCDJSA-N 475.932 4.659 50 40 JJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 408834863 VZHHGRUQHZWSFH-AWNIVKPZSA-N 451.306 4.964 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 408890486 UNYGVWFKOPIIEN-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OS(=O)(=O)c1ccc(C)cc1 408895860 MCBLOJVUCUBPPZ-DHRITJCHSA-N 493.368 4.842 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409223562 GEERWJYRVWDNCF-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409314631 GGHHHWWBACUFMV-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(I)cc1 9201664 TWKTWGXNOPNICO-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB CCOc1c(Br)cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 9260450 PCBLQGRZDJXGRR-MKMNVTDBSA-N 451.324 4.865 50 40 JJGB COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20207210 QLPISJIEHOGYRI-UHFFFAOYSA-N 478.014 4.679 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1F 20348422 SAASOXQVMRHGFU-XMMPIXPASA-N 477.561 4.931 50 40 JJGB O=C(COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1)Nc1ccc(Cl)c(Cl)c1 33571792 JOAOCHBQUBAZIB-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB CCCN(CCC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N 95681975 YMOBKGOXKHOOMG-UHFFFAOYSA-N 490.432 4.503 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)ccc1I 408747822 UGNSOKLHWVJETB-ZMOGYAJESA-N 487.341 4.780 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409001214 VMNBYMAKAIAMKM-OPEKNORGSA-N 460.317 4.628 50 40 JJGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409065610 JRAFTAPTGORHPA-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3C)c2C)cc1OC 1090846 AWMQWYDKTYBMHD-DHRITJCHSA-N 470.367 4.946 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 3017252 MBGFAYFQMMTYNJ-IYAOEYEUSA-N 492.373 4.531 50 40 JJGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12 10021794 XVPSCIZXGXNKSY-JVWAILMASA-N 460.534 4.703 50 40 JJGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10118634 GRWOCBBQDPVKTG-SRZZPIQSSA-N 472.710 4.506 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59101520 OGNYROMTZXHHBL-XODNFHPESA-N 459.399 4.512 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl 408587349 FPAPJJYHIVXIBQ-NSKAYECMSA-N 459.333 4.692 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408718691 WRRKSPZYCVZMSE-QFEZKATASA-N 467.865 4.630 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 408828328 MBOGHXVXQCEORB-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408844027 GNJFTKHSQGXILB-YKQZZPSBSA-N 497.551 4.777 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 408882342 OSMWHGWYIFPXCK-CPNJWEJPSA-N 457.442 4.677 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 408895611 LRZJSUMYDDPDAC-CPNJWEJPSA-N 458.430 4.936 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c([N+](=O)[O-])cc1OCc1ccccc1 408903957 BRSCRFZEHSNLTC-MXAYSNPKSA-N 490.428 4.601 50 40 JJGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408904673 MXDJEIYMXINWHD-NKVSQWTQSA-N 466.675 4.920 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)NC1CCCC1 409191101 SFUGOVKCBFVZLV-AQTBWJFISA-N 472.326 4.836 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409261219 AYCUWGOKISBYBV-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1 409375171 GRLZCRWVUYHMQW-ZDLGFXPLSA-N 493.313 4.978 50 40 JJGB N#CC1=C2NC(=O)c3c(sc4c3CCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 1064121 MMHZOOUCHDYXKR-FQEVSTJZSA-N 472.526 4.625 50 40 JJGB CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 2220947 DKACNLSRRLRGNQ-CVKSISIWSA-N 474.611 4.658 50 40 JJGB CCN(CC)c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 3261274 IJIRWSTXRFVJFJ-SRZZPIQSSA-N 469.177 4.527 50 40 JJGB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2)c1ccccc1 3278125 QPQALJDTIXGDDW-WUGCZOJMSA-N 470.481 4.563 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9088725 JZPOGLHEPREMNG-ODCIPOBUSA-N 454.111 4.616 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 59503450 GJDWTLMPZVYTDJ-ZVHZXABRSA-N 497.623 4.615 50 40 JJGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 83301808 NBZPXTDRCZRQQY-ISAGNRBTSA-N 450.510 4.767 50 40 JJGB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408690982 XNVBLEXJTAQRJA-VWQYPGANSA-N 462.727 4.642 50 40 JJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1I 408747880 VDXGFSBSSLMQTM-LCYFTJDESA-N 497.130 4.998 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(C)=O 408759837 MNONDBLOTGEYDR-VGOFMYFVSA-N 463.715 4.972 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1 408811094 LTWYFUBALUGPQO-UCQKPKSFSA-N 486.524 4.594 50 40 JJGB C=CCc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(OCC)c1O 409001765 KDVYLTPTLFRGTN-PCEWRDAZSA-N 471.557 4.531 50 40 JJGB O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccco2)c1 409218284 FBLYSAIMHDVNBE-CAFOLLDASA-N 479.492 4.915 50 40 JJGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(Br)o1 9086885 ILEAFPGENNJSLS-RVDMUPIBSA-N 483.322 4.652 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1 9693420 HFMBNIYJYUSAJM-SFHVURJKSA-N 456.365 4.677 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc3ccccc23)cc1 22637351 XSLZUONYBMGFIQ-FKQSSIBNSA-N 462.553 4.827 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C)c(Br)c2)c(C#N)c1C 408547129 ROLNXVXAPLNMPY-VIZOYTHASA-N 457.349 4.895 50 40 JJGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(=O)Nc1cccc(Br)c1 408766055 OFFIAYVKYISTJH-WQLSENKSSA-N 454.236 4.869 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 408890314 RGCYLBLSNZVLBT-SSDVNMTOSA-N 492.420 4.875 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)c([N+](=O)[O-])c1 408898904 YFYCHPDTAKPTNV-XDHOZWIPSA-N 457.442 4.677 50 40 JJGB CC(C)(C)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408999072 JXGIINXNTJOLBQ-QRQIAZFYSA-N 498.048 4.979 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 409070941 PMTNXOFWVCUNMD-SAPNQHFASA-N 468.918 4.662 50 40 JJGB Cc1ccc(NS(=O)(=O)c2ccc(NNC(=O)Nc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 9136882 WNNUSLPUPDMOJO-UHFFFAOYSA-N 489.941 4.814 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3F)cc2)cc1 13388113 RULHJUBQZXHXRV-SFQUDFHCSA-N 461.405 4.507 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 16701064 LCHYOFWSVYNXNZ-KZTQLJDNSA-N 470.573 4.839 50 40 JJGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1cccc2ccccc12 33644579 PYFGBVHGRYMVEG-MIXAMLLLSA-N 452.510 4.883 50 40 JJGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 59246626 JJDLRYHHSZORFM-VYYCAZPPSA-N 472.372 4.508 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 408786046 KJQDPXDUDSLJPC-JJIBRWJFSA-N 477.652 4.541 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccc(Cl)cc3)cc2)cc1 408793901 GZUPZLOABITUKU-KGENOOAVSA-N 459.933 4.889 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OC 408796700 OVMZHPSFKMLUMV-CXUHLZMHSA-N 476.314 4.861 50 40 JJGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 408825485 APZWEQKAHRCXPB-TWKHWXDSSA-N 470.617 4.808 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)c1 408969737 SSTZIGWRTVRSBI-DHRITJCHSA-N 467.367 4.562 50 40 JJGB COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3cccc4ccccc34)cccc2[N+](=O)[O-])c1 409223088 GMCLYQCYOKIJTO-YUMHPJSZSA-N 469.453 4.740 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc2ccccc2c1 409228701 CSCDQAJPWBFNEX-GRSHGNNSSA-N 494.345 4.682 50 40 JJGB COc1cccc(OC)c1OCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)cc1C 651155 RCVMCSBXMGEJHC-XMMPIXPASA-N 460.530 4.714 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(F)cc1 2078195 RRHCLPABYIEKGB-LGJNPRDNSA-N 487.325 4.948 50 40 JJGB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1 9204034 JDTHQUVIVAHVFI-JVWAILMASA-N 496.405 4.655 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 9353861 JLABEVWVNMKJHP-QGZVFWFLSA-N 470.392 4.722 50 40 JJGB N#CC(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)=C1Nc2ccccc2N1 9634611 VDDRIGLENICZHH-UHFFFAOYSA-N 489.944 4.625 50 40 JJGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 13896282 LFWPVGHNEFIAQP-AUEPDCJTSA-N 477.698 4.590 50 40 JJGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 33594606 GBXXXLDFXPKWEK-FXMZOFOKSA-N 453.420 4.718 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 59536650 WQRYJLRNPKJOJI-LDADJPATSA-N 482.945 4.970 50 40 JJGB O=C(NNc1ccccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408610338 SZNODYVEJURDRG-QGZVFWFLSA-N 453.901 4.554 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 408796761 PACUKXHEYBUTMC-RCCKNPSSSA-N 471.469 4.896 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OS(=O)(=O)c2ccc(C)cc2)c1 408894418 HXKPSGCUYOUXTN-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1 408999499 LKHWVKSNHZZZBV-AQTBWJFISA-N 460.315 4.646 50 40 JJGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409045512 YWLHPXAAHIJQNF-OVCLIPMQSA-N 464.157 4.834 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)cc1 409143517 CHUOXKACPQGPQV-AFUMVMLFSA-N 476.385 4.891 50 40 JJGB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Br)cc2)c1 409218860 HUJPFTSOOBIHGH-CFRMEGHHSA-N 482.290 4.649 50 40 JJGB CCC(=O)NNc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 797617 YSAUEEGJUATFHA-UHFFFAOYSA-N 458.562 4.519 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)[C@@H](c1cccc(Br)c1)N1CCOCC1 1076304 JKLYLIPOZUZHQN-QHCPKHFHSA-N 456.320 4.794 50 40 JJGB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc1 9381864 KVBNITYWDCUCJN-SFHVURJKSA-N 472.636 4.623 50 40 JJGB C=CCC/C(C)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 12362181 HYCWAYDEEQDFAF-OCKHKDLRSA-N 482.014 4.844 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 16137020 WOYDIIRWLFZRJL-RWPZCVJISA-N 475.501 4.746 50 40 JJGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)COc1ccc(C)cc1Br 16284644 UGFCBIDOYVAGAJ-WYMPLXKRSA-N 487.181 4.964 50 40 JJGB N#C/C(=C\c1ccccc1)C(=O)/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21 102944182 LIMWAYWRTQGEAX-IYUDSKTFSA-N 490.304 4.627 50 40 JJGB O=C(Cc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408553836 PVBBSNREHJJUSH-WGARJPEWSA-N 456.329 4.704 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cc(C)ccc2C)cc1 408838497 XBAIIPBKJXHLPM-LQKURTRISA-N 477.630 4.883 50 40 JJGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 3204452 PQERMAPSMMHXJA-DHRITJCHSA-N 479.892 4.506 50 40 JJGB COc1ccc(/C=C/C(=O)OCc2csc(N(/N=C/c3ccc(C)cc3)C(C)=O)n2)cc1OC 9544747 DAAMQQFLXPAWLE-GCWIGJFTSA-N 479.558 4.612 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(OC)c(OC)c3)ccc21 10003665 SPUBRMLFMHLIAF-STBIYBPSSA-N 472.545 4.966 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc(I)c1 16157807 DLVYRGUKANYZGJ-RVDMUPIBSA-N 484.249 4.649 50 40 JJGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 33667079 FMRSVSPYZCZSJB-BOPFTXTBSA-N 487.350 4.969 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2OC)cc1 44950356 WQLMRELSVRNDIH-MUFRIFMGSA-N 490.556 4.884 50 40 JJGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccc(O)cc3)c3ccccc32)cc1 46085114 BDDXZUUDSOJLGY-FVDSYPCUSA-N 457.530 4.642 50 40 JJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccc(Br)cc2)cc1 59367087 COJJGRGMPJIORE-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408747696 RQNTUGREQKUZCZ-UKWGHVSLSA-N 476.916 4.880 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)OCC 408815426 JIWGHIOZFUSEGN-BOPFTXTBSA-N 487.325 4.804 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2ccccc2)cc1 408873366 PWMMFYGBXSJDAL-RDRPBHBLSA-N 483.593 4.592 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1 408887228 MYFBOPDLTPJYJA-DEDYPNTBSA-N 488.471 4.776 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1O 408887544 PCYSYCFIHJNXGA-VZUCSPMQSA-N 488.203 4.570 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408922182 DTOWHEAHURMAAJ-NBVRZTHBSA-N 495.944 4.612 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409117314 OCNDWHONTKHDHE-JVWAILMASA-N 484.021 4.552 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)cc2c1 409188828 GPZCCGRXGNLDJQ-DICXZTSXSA-N 459.502 4.790 50 40 JJGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC 409312284 KIVHGIZPEYREOY-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@H]1c1cccc(Br)c1 409336903 VJXBPSBQHUBGAQ-INIZCTEOSA-N 476.783 4.813 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccnc1 409371947 KCDQARZWDQTFCU-BHGWPJFGSA-N 489.167 4.950 50 40 JJGB COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1OC 985634 GZTWDVMCGRWEMQ-GOSISDBHSA-N 473.316 4.627 50 40 JJGB COc1cc(C(=O)NNc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC 3182349 NREOECDOFWTMDT-UHFFFAOYSA-N 464.909 4.733 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8983656 VMENCHORVOXNNU-MUFRIFMGSA-N 498.495 4.538 50 40 JJGB CC(/C=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)=C\c1ccccc1 9789200 DGZCJCSKZVJAOG-BZEKNMDBSA-N 461.587 4.635 50 40 JJGB O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c3ccccc32)o1 33524963 GBVAPTXDIZYZQS-JFLMPSFJSA-N 452.470 4.535 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 58913439 GVWKCJSUDRWPSX-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB CCCOc1c(I)cc(/C=N\NC(=O)c2cccc(C)c2)cc1OCC 409062796 AWLAWHFEIHUWOW-XKZIYDEJSA-N 466.319 4.551 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409074593 TZMJJTJRNLFZPB-QGOAFFKASA-N 482.945 4.970 50 40 JJGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409224075 ITPJKEUOQNHSJP-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 6190700 DPMJGBQZILDEMC-MRAZWZEMSA-N 492.417 4.872 50 40 JJGB CC1=CC[C@](C(=O)O)(C(=O)N/N=C/C2=C(O)CC(C)(C)CC2=O)[C@H](c2ccc(Cl)cc2)C1 8782830 HFXDNIXLVSVVBD-FWHWAQEZSA-N 458.942 4.538 50 40 JJGB COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 12859637 NPVZOJKHXBRJQS-MZJWZYIUSA-N 466.921 4.714 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC 14186320 XRESBOWJYWIOIC-RDRPBHBLSA-N 455.558 4.582 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1F 20348627 BXHUYKSTBFITKT-HSZRJFAPSA-N 465.550 4.683 50 40 JJGB CCOc1cccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1O 30743035 IZHJMRYTCAXMGL-YVNNLAQVSA-N 495.051 4.831 50 40 JJGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 33396579 XZCJUXFDBBEXSP-ZSOIEALJSA-N 460.284 4.700 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 33608380 SJRYOCZWHBJKDP-MZJWZYIUSA-N 491.345 4.622 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(OC)c1OC 59473172 QDKWENUETKHWNH-CVKSISIWSA-N 450.560 4.910 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC(=O)O 108928837 USSGOPRMHLUWQX-VGOFMYFVSA-N 485.949 4.560 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408607462 DAGQCVKMCFKQJG-JVWAILMASA-N 465.937 4.797 50 40 JJGB O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408611103 PZOFBYHVYHAFPI-NSKAYECMSA-N 480.735 4.585 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OC(C)=O 408747954 WCWMJJLJAPAWMS-QPEQYQDCSA-N 494.139 4.691 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 408767851 QBBAZHHIYDKWNY-VULFUBBASA-N 467.978 4.908 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cc(C)cc(C)c2)cc1 408868494 PBKTUIFVDYHPFJ-LQKURTRISA-N 477.630 4.883 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1 408888792 ASZWGXCRXMUOCP-WPWMEQJKSA-N 455.470 4.549 50 40 JJGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1 409197514 HNCZAKRFYQMTKF-HGFFDCOOSA-N 456.546 4.809 50 40 JJGB N#C/C(=C/c1cccn1-c1ccc(I)cc1)C(=O)NCCCc1ccccc1 409234522 NKNUKDQFAIPMBR-MNDPQUGUSA-N 481.337 4.738 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409254410 DNWJINIAPAYVHG-GPUKMNDYSA-N 475.976 4.985 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccc(F)cc1 409325486 ZCCIZHFVTXYBTO-CQSZACIVSA-N 450.322 4.843 50 40 JJGB COc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1 409375074 FFHKCLQNIWKPJH-STZFKDTASA-N 455.514 4.875 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1Br 1435216 XNGHESTZIXPSLT-VULFUBBASA-N 497.345 4.514 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 1436363 QDWJMYNSMOJOCT-DEOSSOPVSA-N 473.573 4.962 50 40 JJGB CC(C)(C)NC[C@@H](COc1ccc([N+](=O)[O-])cc1)OP(c1ccccc1)c1ccccc1 1629745 NGXPFFKGKLJUKJ-QFIPXVFZSA-N 452.491 4.795 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 2214656 PHDHEVDLJDGVRO-WYMPLXKRSA-N 468.991 4.651 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 2888278 JCLWGOJGSISLEN-UZEPBSNMSA-N 485.584 4.919 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 3666909 DWJICAOKFKCBQP-JOCHJYFZSA-N 471.542 4.712 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccncc1 13617641 UBMIGFTVBURPOD-PKAZHMFMSA-N 476.993 4.924 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1C 33716726 JYNREWZLFACLIK-VULFUBBASA-N 468.351 4.894 50 40 JJGB N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408816933 WVTHPOISQZIREU-GHXNOFRVSA-N 479.103 4.799 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)cc1Cl 408817847 MFTPXABXJWNMPB-BOPFTXTBSA-N 450.878 4.619 50 40 JJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1Cl 408934869 CYILBQUUJCVVFM-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4cccc4)cc3)c2C)c1 408968303 YDULQGPVYBQARS-VEILYXNESA-N 454.530 4.825 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)c1 409259097 ZQMVJBAXOSZEJB-MUXKCCDJSA-N 495.963 4.755 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)[C@@H]2CCCC=C12 663548 SSIPYSVUQFZIQN-JIPXPUAJSA-N 465.944 4.635 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1c(F)cccc1Cl 1086202 CVMSVUBYBLPGIC-OAQYLSRUSA-N 454.889 4.707 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 1415748 SVFXLPPWARJNTR-OPEKNORGSA-N 486.435 4.687 50 40 JJGB CCn1c(SCC(=O)N/N=C(\C)c2cccc(Br)c2)nnc1-c1ccc(C)cc1 1474314 AROJGFRLASROMR-HZHRSRAPSA-N 472.412 4.668 50 40 JJGB Cc1cccc(OCC(=O)N[C@@H](C)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1 2122003 NSBANKOWHBCXIJ-RMLITALJSA-N 495.579 4.761 50 40 JJGB CCCCCCOc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1OC 8402133 SCKXRZYEIATYJC-BUVRLJJBSA-N 463.372 4.946 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 12524449 GOUSUFOJSGRCSA-HMMYKYKNSA-N 462.506 4.698 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 20232665 SZTRDSZIUREONA-ZXVVBBHZSA-N 479.602 4.596 50 40 JJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247170 PSMNWCAMJPLBQW-PODSUIKTSA-N 494.414 4.987 50 40 JJGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 33332321 YQHIMDQFIBWOFC-MRUKODCESA-N 491.202 4.662 50 40 JJGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1 33468005 ZIGFSOGWGCINCA-UYRXBGFRSA-N 460.511 4.924 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918647 ZMFDPTLJSXNWDB-LQKURTRISA-N 493.482 4.580 50 40 JJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087126 YSEZQYZZFLEWOF-LAINMTBBSA-N 464.363 4.654 50 40 JJGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cc2c(cc1Br)OCO2 409121560 WRCWSTMDVFXXSO-AERZKKPOSA-N 476.179 4.868 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1 409174488 MSASDYNFCZJHQE-GPUKMNDYSA-N 475.976 4.985 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 1439545 PPBZHPVYTNYUJF-CPNJWEJPSA-N 460.461 4.746 50 40 JJGB CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 4290891 XYXMEWWUZDLSLV-RMFULTEWSA-N 479.529 4.972 50 40 JJGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNc3ccccc3)C2=O)cc1 8819893 NQJVFYPJEFHSOX-SILNSSARSA-N 455.605 4.600 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 9185462 AAIWZQJHTHFAMG-HMMYKYKNSA-N 480.524 4.966 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 20059145 ASGZCMOPQJOREO-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccs1 59197721 WOCBYNNTGZCLHB-SRZZPIQSSA-N 460.309 4.762 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 59410643 MAZSBVJOZPSPFT-RWPZCVJISA-N 454.482 4.920 50 40 JJGB CC/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(OC)c(OC)c1 408720325 YXJVOAYKBHIVQG-OQKWZONESA-N 451.386 4.630 50 40 JJGB O=C(Nc1ccc(Cl)cc1)[C@H](NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 408734108 JSQJWMKSGAINOF-RUZDIDTESA-N 485.971 4.577 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)NCc1ccccc1 408748167 ZKUHBJDKNQAOQV-JMIUGGIZSA-N 491.341 4.980 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408797276 RBYGWXCDLNHVOA-OQLLNIDSSA-N 463.317 4.880 50 40 JJGB Cc1ccsc1/C=N\NC(=O)COc1c(Br)cc(Br)c2cccnc12 408988188 DAZOGFQJMVVMHK-WNFQYIGGSA-N 483.185 4.659 50 40 JJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccccc1C#N 409122953 CPSADQBGVIGKSC-QHCPKHFHSA-N 474.314 4.824 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1cccs1 1759986 CYOGWNJWCOLFQS-QFIPXVFZSA-N 465.600 4.854 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccc(Cl)cc2)cc1 2357328 LPSBLJDKEOFIBO-VULFUBBASA-N 477.977 4.844 50 40 JJGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)O)cc1 2728562 IRNFTQLBQNNQFE-WYMPLXKRSA-N 464.572 4.644 50 40 JJGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(I)cc1 3192817 ZOFVZIVITRILMF-ZVHZXABRSA-N 486.309 4.538 50 40 JJGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC4CCCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 8382652 DNLXCPRPVOAMGU-JOCHJYFZSA-N 458.518 4.633 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1 9075912 KZJFIBCOZFABGE-MFKUBSTISA-N 478.578 4.909 50 40 JJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(I)cc1 10476133 JHWRUARUTRRLTJ-SRZZPIQSSA-N 450.663 4.969 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 13895586 VHOWXTFANMSHRN-UDWIEESQSA-N 490.899 4.949 50 40 JJGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19940210 DCYOBSSXIAHXMC-IIDMSEBBSA-N 458.914 4.936 50 40 JJGB CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 20608563 COUPZDZVKKSWBX-DEDYPNTBSA-N 490.585 4.612 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 23410853 JPROBAVYEDOIBJ-AJBULDERSA-N 461.521 4.523 50 40 JJGB O=C(Cn1cnc2ccccc21)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 57985768 JGVCWLRNJJLPPR-WKULSOCRSA-N 460.497 4.786 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 58871217 YSCORBLFFRPGPN-DHRITJCHSA-N 457.299 4.940 50 40 JJGB FC(F)(F)C[C@H](I)C[C@H](I)CC(F)(F)F 169795246 ZAFBFXFCLPUOKV-SYDPRGILSA-N 459.937 4.889 50 40 JJGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408802262 YSQMIUHLYNQPHI-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408890247 QHUXWRIZFQAMJS-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 408908150 BEGWZGGRJLAVEU-VUTHCHCSSA-N 481.508 4.560 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1 409012323 QMTBSYFVMKBYAT-RHANQZHGSA-N 467.525 4.938 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 8722639 RAOBRAUBQPOGSA-STZFKDTASA-N 455.514 4.875 50 40 JJGB C/C(=N\NC(=O)c1ccn(Cc2ccc(Br)cc2)n1)c1ccc(Br)cc1 8780774 MPKPCDYXXDMSIZ-LPYMAVHISA-N 476.172 4.610 50 40 JJGB COc1ccccc1OCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 8842889 TYHMVTHGPMDDML-PCLIKHOPSA-N 469.335 4.679 50 40 JJGB O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856592 RAKQYROOQMZPSK-KSSFIOAISA-N 499.188 4.879 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br 15227447 SAZFHMCYXOHNBH-UKQSZTSVSA-N 456.178 4.822 50 40 JJGB CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3OC)nc2s1 20331964 VJODQZWJWZFRNW-GZTJUZNOSA-N 498.568 4.632 50 40 JJGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccccc2)n1 23215931 WHFMRMJSFBUQME-GZTJUZNOSA-N 462.531 4.739 50 40 JJGB O=C(N/N=C\c1cc(Br)ccc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 54290550 AGSDAKUESHSLQF-WNFQYIGGSA-N 454.111 4.616 50 40 JJGB COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)O)cc1 408582395 NRMRYMNSODZQAR-AWNIVKPZSA-N 467.113 4.748 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(I)c1OC 408772706 QPHPGVPJZDLIDT-NVNXTCNLSA-N 492.313 4.641 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408895481 MZVDNDVEWADQAK-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB C=CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1I 408950477 KOJMQSOCXUYNLB-PDGQHHTCSA-N 497.336 4.603 50 40 JJGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408981997 XDIBCDAYDNHIMD-USMPFQSLSA-N 482.496 4.866 50 40 JJGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 408989200 HFIXAOLDIYCEAP-RDRPBHBLSA-N 485.588 4.763 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 409006954 LPSOIMWNDLHLKX-DICXZTSXSA-N 465.937 4.829 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1F 409127665 FITGFTQXMRNCAH-QFIPXVFZSA-N 452.869 4.990 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c1 409257296 NYYMVBCZGKIBQT-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409259376 YTACYONRNRUFIH-DEDYPNTBSA-N 471.513 4.581 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)CNc1cccc2ccccc12 3091717 BIJWCVZPSBWECD-BHGWPJFGSA-N 491.183 4.936 50 40 JJGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 3644115 YHGPLHOSCXMDOS-PXLXIMEGSA-N 471.538 4.750 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(I)cc1 10476098 HMXIVVKUAGJFRT-OEAKJJBVSA-N 456.283 4.634 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cc(Cl)cc(Cl)c2)cc1 19926443 GDBVDLLLUBHPRG-UHFFFAOYSA-N 454.379 4.543 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58914191 PPMSBEKSZJVOTP-VYYCAZPPSA-N 457.361 4.558 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 59334315 XSVAJRRNCFEDMC-NVNXTCNLSA-N 494.183 4.794 50 40 JJGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(Cl)cc1 408853298 NDNDFTHMYKYMFX-GZIVZEMBSA-N 471.753 4.851 50 40 JJGB CC/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 408862752 IBBFQWLWGDCWBQ-XLVZBRSZSA-N 457.574 4.806 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1 408882347 MOXUVYAGWZUORS-LGJNPRDNSA-N 485.009 4.967 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OS(=O)(=O)c2ccc(C)cc2)c1 408894945 JVIBDGQEQRSFGS-KGENOOAVSA-N 476.554 4.934 50 40 JJGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2)cc1 408895791 LYCIKDPKFZLLGW-ZVHZXABRSA-N 484.293 4.583 50 40 JJGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 409185206 UFCJZZZSFNDQRE-UHFFFAOYSA-N 467.513 4.727 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(CSc2ccccn2)c1 1089454 MSPONVAJBOCYJI-QFIPXVFZSA-N 467.554 4.991 50 40 JJGB Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 1445069 BSCUTEHHBQCCPT-AFUMVMLFSA-N 467.319 4.506 50 40 JJGB Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=N)COc1cccc(C(F)(F)F)c1 3070005 OQKNXEKYEXDFEU-UHFFFAOYSA-N 452.820 4.613 50 40 JJGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 13382281 OXTPHEUIAYUQLU-MTDXEUNCSA-N 472.570 4.642 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C 14077133 FRNFHYAUAOLLSC-DEDYPNTBSA-N 463.534 4.645 50 40 JJGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(CN2CCc3ccccc3C2)cc1 15163027 GLDPFLLBZKCGRN-UVHMKAGCSA-N 492.373 4.500 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 20060059 VXZMPYXNYUMUJV-JJIBRWJFSA-N 450.004 4.690 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCC(=O)Nc1ccccc1 408805232 FCDRLRXGHWRNSF-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1C 408867303 KLVMOFLHVIQQJJ-JVWAILMASA-N 463.603 4.574 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956627 ZGROUNDEWAEOEN-XODNFHPESA-N 476.920 4.523 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(F)c1 408967703 RTKUMUNOFMFYAF-RPPGKUMJSA-N 497.280 4.711 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(F)c(Cl)c1 409022256 LENZHZFIGSREEB-QDTIIGTASA-N 450.901 4.964 50 40 JJGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C 650570 LFNMBDADGQBTGJ-QFIPXVFZSA-N 456.901 4.930 50 40 JJGB Cc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 3146605 PYMVKMSZQZKOFM-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1)OCO3 3628407 OOBGGOZFEFIEPV-HSZRJFAPSA-N 477.314 4.975 50 40 JJGB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1 8819813 VORQGBAPIIZJMT-PGMHBOJBSA-N 481.643 4.526 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856591 RAKQYROOQMZPSK-KBXCAEBGSA-N 499.188 4.879 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 20986527 LGPNPCRXMKGLON-MZJWZYIUSA-N 482.569 4.935 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 33405023 ZKCFEYIVCFVNET-SFQUDFHCSA-N 477.904 4.617 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1 59401676 QIZRATNDUJSZIF-OPEKNORGSA-N 474.742 4.849 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 59680131 HBPGHYZOHSBXSB-ZVBGSRNCSA-N 482.128 4.739 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1C#N 408783507 LYWUGIOVOYSWPC-OCKHKDLRSA-N 468.351 4.730 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 408832546 ZKIWAYDPNTUJKJ-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408857169 SIDBYQVUGKRDPJ-JCMHNJIXSA-N 466.497 4.921 50 40 JJGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408905276 WLTYYCFXUBRPOB-YVNNLAQVSA-N 476.670 4.533 50 40 JJGB O=C(CCCl)O[C@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)CCCl)c1nc2ccccc2[nH]1 408975230 KVOAXIZPVANTMX-PMACEKPBSA-N 475.332 4.566 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)c1 409252311 DBUQPJUUVQJAEM-MUXKCCDJSA-N 495.963 4.755 50 40 JJGB CC(C)(C)[Si](O[C@H]1CC[C@H]2[C@H]1OCC(=O)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 575244294 KFRMICKYMZONRP-HPUNYJORSA-N 485.700 4.522 50 40 JJGB in-vitro CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 659705 FRNFNCQQSKJICK-JFLMPSFJSA-N 460.486 4.691 50 40 JJGB O=C(N/N=C/c1ccc2ccccc2c1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-] 1091863 MUEXMSLQKCTUCS-WYMPLXKRSA-N 478.306 4.519 50 40 JJGB Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NNC(=N)COc1ccc(Cl)cc1 1387930 YDXQCIZCZITXLI-UHFFFAOYSA-N 479.751 4.507 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nc2ccccc2c1=O 2224582 ZGDBYHHTNBUKKK-UVHMKAGCSA-N 480.952 4.729 50 40 JJGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)cc1 2310865 ISPKTZMTQLRZGR-HSZRJFAPSA-N 461.543 4.592 50 40 JJGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1 20059525 UDYBXOQRBRWGDI-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CCOc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1 20176437 IUEQRCARLDIZBF-CVKSISIWSA-N 484.350 4.776 50 40 JJGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 20493160 GUERHHPKRFEXTB-OVVQPSECSA-N 479.602 4.554 50 40 JJGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 46084957 YRQFHJGMVPPVIL-OVXWJCGASA-N 491.547 4.851 50 40 JJGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 58913178 FGVDVSKXNLZCNX-BRJLIKDPSA-N 487.785 4.907 50 40 JJGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 107896219 HYPAEOBDQWEIEY-RHANQZHGSA-N 464.481 4.891 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)OC 408798718 WTADXWJUEKQXHG-VIZOYTHASA-N 463.317 4.798 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 409078308 BOWBGMQCDJNFIN-UVHMKAGCSA-N 468.296 4.857 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccc(Cl)cc1 409337177 YJOUNNGOTPJVSM-VPUKRXIYSA-N 495.992 4.977 50 40 JJGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 2343132 LXGVZHRCZZFQPS-ZVBGSRNCSA-N 494.023 4.943 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1 2352633 NZMFCHLZMKMNPP-BRJLIKDPSA-N 461.301 4.959 50 40 JJGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc3ccccc23)c(OC)c1 8427126 PNHJPOXCRFCKDT-YFNCPLRDSA-N 479.536 4.778 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 9261884 WLCLHUJOSMIRRE-YSURURNPSA-N 461.261 4.861 50 40 JJGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 13477214 VCRKYLARHPFMJH-BRJLIKDPSA-N 488.283 4.650 50 40 JJGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 59444014 OOHQQQYCHVJKLQ-UHFFFAOYSA-N 499.677 4.637 50 40 JJGB COc1ccc2ccc(OC)c(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2c1 408570414 UTOHIIWFVDOPHQ-AFUMVMLFSA-N 468.600 4.865 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408792047 HACKMYOKRKCTCC-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC#N 408792167 IYNMGCJACQXHAT-VGOFMYFVSA-N 460.715 4.868 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC(=O)OC 408797321 QVFIYIPDVYTKQD-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(OC)c1 408880595 JZKRANDDPRDNDG-YDZHTSKRSA-N 476.536 4.802 50 40 JJGB CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccccc1 409219693 TYLYLZZZQUVSAB-UHFFFAOYSA-N 497.507 4.914 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OC 409337600 ZPPZYPIHJAQRKU-NTFVMDSBSA-N 493.947 4.695 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccco1 3102335 YYOKGLUGXWHZBT-BRJLIKDPSA-N 477.300 4.733 50 40 JJGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@@H](c2cccc(OC)c2OCC)CN1C(=O)CCl 11692288 CWYWFQPDEJMFTA-WXTAPIANSA-N 484.980 4.566 50 40 JJGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)N/N=C(\C)c2ccc(C)c(C)c2)ccc1Cl 12546630 CFRJCTGVIGXRIT-YZSQISJMSA-N 485.993 4.920 50 40 JJGB O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(COc2ccccc2-c2ccccc2)cc1 13073052 POJCJVORKQZMIT-UHFFFAOYSA-N 480.520 4.779 50 40 JJGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1cccnc1 19805104 AUDZBCDXIBAZOK-BFLUCZKCSA-O 471.993 4.614 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1F 20348429 CSXFEYKEKLHJRD-XMMPIXPASA-N 477.561 4.931 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1c(C)cc(C)cc1C 33782151 IJKJBSLXRUXGIO-RWPZCVJISA-N 459.546 4.922 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 207055872 YNDOJSZDNDWZHL-SRZZPIQSSA-N 474.488 4.755 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408606724 AKKOAUHRIKATSE-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408784320 RPGWGDWPJNBSRS-LGUFXXKBSA-N 497.642 4.543 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408825374 AHEFGGAUYBYXMN-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 408890124 OEVAUIZFHFOWEM-CPNJWEJPSA-N 477.498 4.525 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409069805 AJKKWMFGRDSXQX-XSFVSMFZSA-N 496.972 4.730 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409173804 KJSSOARKYHGCNB-WWTGGXICSA-N 465.912 4.561 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O 409221847 BGRUNWKASJZOBB-MYKKPKGFSA-N 474.256 4.590 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409272372 YIKPXYOIXBLXPY-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1Cl 409315066 MYFWGFUVKWDEDS-KRWDZBQOSA-N 455.967 4.676 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1Cl 409327165 QMDPISBTFFAJJP-MRXNPFEDSA-N 455.967 4.676 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 1022836 HYCMRLPPLMJIOM-HXUWFJFHSA-N 480.977 4.641 50 40 JJGB CCOC(=O)c1c(CBr)n(CCBr)c2cc(Br)c(OC)cc12 1431093 LDPLBKVGPAYXOS-UHFFFAOYSA-N 498.009 4.879 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 9057356 WWPFTQZUPYEYIM-LDADJPATSA-N 472.413 4.576 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCCC)c(OC)c2)C(C#N)=C(N)O3)cc1 9436190 IMSYSXYACGHTQP-QFIPXVFZSA-N 460.534 4.881 50 40 JJGB CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1Br)C1CCCCC1 14923854 IFUUAWULQVREGU-ZVHZXABRSA-N 489.370 4.655 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4cccc(F)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558562 LIPQRZCSFZKOHF-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 40961727 MDIQFKZENRMGIX-UFFVCSGVSA-N 457.777 4.752 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59472827 KKAVORKVEANPQJ-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CC(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 408718105 JQTZACBXGMPCSM-DHRITJCHSA-N 488.382 4.759 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)ccc1I 408748199 ZXMPFEXHRUBWST-SSDVNMTOSA-N 466.319 4.504 50 40 JJGB C#CCOc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)cc1OC 408815247 HBANYJFAKZKIIH-OQLLNIDSSA-N 459.727 4.977 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ccc1O 408842911 KLNYGDXWIPQLEX-BRJLIKDPSA-N 458.301 4.724 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 408879150 CQHDZRCDSRGFIA-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 408951791 JDDAJAQUCSCXPT-WVXIBAHESA-N 485.183 4.687 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409008826 LFMDCZPOUWSMMC-FJEPWZHXSA-N 499.489 4.733 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409258215 RYTVEPQEIKESQS-OEAKJJBVSA-N 469.541 4.553 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 409269714 MAEFXYBKOGRDCV-QDCCHXAWSA-N 492.373 4.531 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1 409326469 KMKLCHRKWNSZBC-GOSISDBHSA-N 486.391 4.558 50 40 JJGB C/C(=N\NC(=O)c1ccccc1O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 8427092 GHNMXJJZIPUPSP-YZSQISJMSA-N 465.575 4.645 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 58911778 KBOOBJMZSDVXSK-KKMKTNMSSA-N 477.779 4.821 50 40 JJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087124 YSEZQYZZFLEWOF-DGKKPVBHSA-N 464.363 4.654 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c(C)c1 59105003 RVBSIMYRESNOHM-ZHZULCJRSA-N 453.498 4.789 50 40 JJGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 83301781 WZDHWDFXIGCTIL-ISAGNRBTSA-N 450.510 4.767 50 40 JJGB CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(/CNC(=O)c2ccco2)c2ccccc2)C1 97962664 RLCMIMBQWNYVEX-VKEANBQHSA-N 494.636 4.519 50 40 JJGB CC(C)(C)NC(=O)[C@@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C 100469740 VJSQZSFNIPMTTB-GFWSLJDESA-N 460.048 4.587 50 40 JJGB Cc1ccc([C@H]2[C@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 102671572 FUYVXXGYSZYRLE-ZRBLBEILSA-N 485.923 4.652 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(OC)c1 408876939 RDYVFPKQFIXGLE-CXUHLZMHSA-N 466.877 4.539 50 40 JJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCC(=O)OCC 409023300 XCCAWOTUTRVVCF-VYYCAZPPSA-N 484.936 4.919 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NC1CCCC1 409189586 QWKQLLIJPJIDBC-BOPFTXTBSA-N 490.316 4.975 50 40 JJGB CCOC(=O)COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 684785 NCKUMVGVHMAWII-RUZDIDTESA-N 492.535 4.699 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c2ccccc2oc3=O)cc1COc1ccc(F)cc1F 994784 BXVAXRHQYWHEEN-HSZRJFAPSA-N 488.446 4.877 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1 3102319 VFOXEMGFFICFIH-RPPGKUMJSA-N 461.276 4.881 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 3144788 IFVFXDBRBBKNJF-AEIQVQRHSA-N 483.362 4.954 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccccc3)nnc2-c2ccccc2)cc1 9762858 FOPGNLZKUUVMLS-DIBXZPPDSA-N 471.586 4.966 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926201 GNDIJYHAMNHFCB-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(C)cc1 28217905 SYTDEHPAFXRRGK-BRJLIKDPSA-N 454.324 4.504 50 40 JJGB CCCCN1C(=O)CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1OC 57960497 IDYDNJFYDLRNCJ-UGKGYDQZSA-N 463.500 4.937 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC)c(OC)c2)c1 408744045 YJQQRJQEEAXVNQ-OQLLNIDSSA-N 492.313 4.643 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1)c1ccccc1 408795119 LIINAHQIESRBEO-CKMDTHJYSA-N 473.960 4.820 50 40 JJGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1 408821767 APXHMGCNEXDHDO-HAHDFKILSA-N 491.613 4.658 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC(=O)c1ccc(C)cc1 408896796 SXBQUVQOYUISLG-VULFUBBASA-N 475.526 4.606 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409249928 JWKWOBVZIZLJRD-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409251592 PVYPJQFSSXNXSV-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CCN(CCCl)CCCl)cc1 1559753 JWZXLYGWMYYHRC-UHFFFAOYSA-N 473.404 4.968 50 40 JJGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 3278025 JSUOUGICXJQBNN-SXGWCWSVSA-N 468.332 4.661 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 3321507 MPKKSJPOKVDNLY-SFHVURJKSA-N 455.967 4.758 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OC 8721547 GLPMTMIOWGHLJH-RDRPBHBLSA-N 474.557 4.913 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 9272426 CNKFHDOSGBGQFI-ONUIUJJFSA-N 459.575 4.759 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)OC)=C(C)N1 20348629 OTSYPYZCYKTGLC-HSZRJFAPSA-N 465.550 4.629 50 40 JJGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)c1 408591280 SOYCDULOQUNDOW-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@@H](c2ccc(Br)cc2)CN1C(=O)CCl 1083103692 VMGCPAUOUIDHCW-UZUQRXQVSA-N 489.797 4.922 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1Br 664588 VSZWRZXOXCHDLS-INIZCTEOSA-N 457.715 4.719 50 40 JJGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccccc2Br)c(C)cc1C 1009139 MDZXFRGIYVPQOS-QFIPXVFZSA-N 483.362 4.900 50 40 JJGB COc1cc(OC)c(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1Br 1081890 WPBNUAUCNUTZOJ-KIQCMGJBSA-N 456.340 4.570 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc1 1319814 PYJSLSGVXRJNTM-CIRUFVMISA-N 450.491 4.550 50 40 JJGB COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Oc1nc(Cl)ncc1F 2312464 YVTLEPZAGIJILK-XODNFHPESA-N 464.884 4.916 50 40 JJGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3201234 LODXHOLUQRRBDX-MZJWZYIUSA-N 459.889 4.783 50 40 JJGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4150718 IVUJOZKHWNOFAS-RDRPBHBLSA-N 468.509 4.987 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccsc1 12360692 VIDQWQZUMHOHPO-KRWDZBQOSA-N 459.600 4.572 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 12362689 IYQVPDMRIOLQMI-GXOQDCAFSA-N 492.357 4.557 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 59333938 DVVJZWGOXHPKSX-AUWJEWJLSA-N 482.147 4.925 50 40 JJGB O=C1c2ccccc2C(=O)N1CCCCOc1cc(CBr)cc(CBr)c1 224456701 ZMYQEHVMRFGTPD-UHFFFAOYSA-N 481.184 4.932 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc([N+](=O)[O-])c2)cc1 408807878 IEXXUGHHQMDQGG-CPNJWEJPSA-N 459.458 4.737 50 40 JJGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1C(F)(F)F 409160877 ZWTGEGVSPMSVSF-WYMPLXKRSA-N 456.262 4.727 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N\NC(=O)c2ccccc2)c1 409258870 VUQANVBVHIFZHS-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Br)cc3)c2)c1C 409265702 OAWYGHXRDYIDBZ-WGARJPEWSA-N 480.362 4.847 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 409269640 LAUJWYAISMDGBB-HMAPJEAMSA-N 483.524 4.653 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC 409325920 CWVIIMAXYLLYNG-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCc1ccccc1 409382153 LNMINEYPPHOOMV-JFLMPSFJSA-N 482.378 4.989 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)c1O 1091865 SEKLJMZKWQVVPR-BHGWPJFGSA-N 473.758 4.545 50 40 JJGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 1888910 INLNTABMIMQIFQ-UZEPBSNMSA-N 485.584 4.919 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 9359587 MYIIOMAFBHBORD-SFHVURJKSA-N 451.870 4.645 50 40 JJGB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NNC(=O)c2oc3ccccc3c2C)cc1OC 10124779 HTPFRUXFAPHRQR-UHFFFAOYSA-N 496.523 4.686 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2Cl)n1C)c1ccc(Br)cc1 28467756 GERINRLDSKHPGY-WSDLNYQXSA-N 478.803 4.531 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 59101679 WCJQMMZNOUHRNC-LQKURTRISA-N 495.963 4.805 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 59332818 CVNAYRCQDIFPJJ-QJOMJCCJSA-N 471.532 4.669 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1 59566518 HRRQSUDKNARHCB-MTDXEUNCSA-N 452.514 4.975 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1 59676658 AKPVVDAXGLKSLI-NBVRZTHBSA-N 462.893 4.764 50 40 JJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc4c(c3)OCO4)o2)cc1 108223963 QSMNJRZYPNJHIJ-VYYCAZPPSA-N 457.486 4.759 50 40 JJGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 408735348 OASGHQUKKSJDEU-RPPGKUMJSA-N 454.313 4.620 50 40 JJGB N#C/C(=C\c1ccc(O)c(I)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408787715 FHEVEGNWQFMQBQ-BJMVGYQFSA-N 459.070 4.849 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408790513 PTCBOJNEZWNBCD-NTEUORMPSA-N 463.715 4.590 50 40 JJGB CCCOc1c(Br)cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1OCC 409008365 WOHUAKWEDAJVSZ-DHRITJCHSA-N 462.388 4.816 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(F)cc2)C2=C1CC(C)(C)CC2=O 409128310 FCBOKESHQMOWBP-RUZDIDTESA-N 475.564 4.787 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(F)cc1 409256795 NHKBIHDKOLVFFO-XLLDZARQSA-N 495.938 4.570 50 40 JJGB N#C/C(=C\C1=C(Br)[C@@H](O)[C@@H](Br)C=C1Br)c1nc2ccccc2[nH]1 409337281 ZBKBWLMMWRZCMZ-PHESOWMLSA-N 499.988 4.536 50 40 JJGB CCCOc1ccc([C@@H]2CN(C(=O)CCl)[C@@](C)(C(=O)OCC)c3[nH]c4ccccc4c32)cc1OC 1083103557 PGYRJPUXBDVEQD-UZTOHYMASA-N 499.007 4.957 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccc(Cl)cc2)cc1 1249100 PVKIEHIOMURYEU-CVKSISIWSA-N 495.008 4.567 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2420183 ALZBETRJUPQROU-HMMYKYKNSA-N 480.524 4.966 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 15223189 DWEGBSCJWWOBBH-GDNBJRDFSA-N 492.313 4.730 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1I 33489609 QANAHIOZRTWWNR-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 58926029 GLDVSVUJPPWKPY-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 58928368 JEDNZJXATZORKR-JFLMPSFJSA-N 461.587 4.704 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 110889098 BVIHAIVAJRMWLB-UUILKARUSA-N 456.123 4.736 50 40 JJGB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NNC(=O)c1ccc(Cl)cc1 138701500 LYFFJUVAGFYFPW-UHFFFAOYSA-N 494.334 4.827 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)NCCc1ccccc1 408797728 GYCCVLZDXHHERC-LTGZKZEYSA-N 459.933 4.623 50 40 JJGB COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1OCc1cccc(C(=O)O)c1 408849129 UYTMYRAOOXGOQU-MWLSYYOVSA-N 484.508 4.655 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408870432 DNUMZUBJXAMRQL-LSFURLLWSA-N 451.335 4.506 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(F)cc1 409125617 DHUDOJIWHXJUAE-QFIPXVFZSA-N 467.928 4.797 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc(F)c3)cc2)C2=C1CC(C)(C)CC2=O 409141113 UFABUZHKUSPFQJ-RUZDIDTESA-N 475.564 4.787 50 40 JJGB Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Br)cc2)c1C 409255072 GDDSZOHYMVBAHJ-WGARJPEWSA-N 480.362 4.847 50 40 JJGB Cc1nc(SCC2=C(C(=O)OC(C)C)[C@H](c3cccc(F)c3)C(C#N)=C(N)O2)c(C#N)c(C)c1C 1052123 PQILCDDKINOWFP-JOCHJYFZSA-N 492.576 4.823 50 40 JJGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 4063935 IJMVQVZZXNBRAN-NDZAJKAJSA-N 494.576 4.734 50 40 JJGB Cc1ccccc1C(O)(C(=O)NN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1C 9301854 UZKANUCHQRJZMK-UHFFFAOYSA-N 495.535 4.826 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nnc1-c1ccc(C)cc1 9763023 CFPWCSMJRAPHOD-HAHDFKILSA-N 472.412 4.668 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 13387942 YYAUZTCWZALUKH-RIYZIHGNSA-N 460.284 4.619 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739780 NJAZWWPWSIPJOG-GPSDDGMOSA-N 457.555 4.639 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C\c3ccco3)nnc2-c2cccnc2)cc1 16789694 PXKMYCAHOHOCCM-JGZPWYNTSA-N 488.573 4.619 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20059157 SGRGKUBUEIVCHT-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccco1 20348573 ISCIMAXZODQYEY-JOCHJYFZSA-N 463.559 4.694 50 40 JJGB C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(Cl)cc1 33774726 VQPCOBOMQIKJAO-UQQQWYQISA-N 455.967 4.912 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)cc1 408773177 HFXANCJPIPPQCY-MTDXEUNCSA-N 454.530 4.825 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC(C)C 408808062 DPVMNISBPCJWIU-CXUHLZMHSA-N 476.314 4.941 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 408859687 PAHCUORAUWACFG-YZSQISJMSA-N 473.957 4.523 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccc(C)cc1 408878534 AHHJPRMQEZEOIT-UDWIEESQSA-N 471.469 4.985 50 40 JJGB Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409134925 OVHBRTTTXOEJQR-UHFFFAOYSA-N 462.015 4.979 50 40 JJGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccn4)c3C)oc12 409242508 OBSPYJWVVALAFW-BRJLIKDPSA-N 467.323 4.770 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409269024 CZKNVJPXPLTINL-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)[C@H](c1cccc(Br)c1)N1CCOCC1 1076307 JKLYLIPOZUZHQN-HSZRJFAPSA-N 456.320 4.794 50 40 JJGB COc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 3669448 SNUWZONZZMEUBJ-QLYXXIJNSA-N 454.313 4.683 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)ccc1Cl 9203023 GWXRPCLTVHZTKN-WYMPLXKRSA-N 475.726 4.842 50 40 JJGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(I)cc2)cc1 10118584 ZVKMTNXQRBRVJZ-ZVHZXABRSA-N 470.310 4.943 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 13175694 ZVJHUOORQMSOPL-LJQANCHMSA-N 475.408 4.811 50 40 JJGB O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccccc1 38534890 PWHPHVUZXVNBGR-GSGGYPOMSA-N 497.554 4.653 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(Br)c2Br)c1 408745735 OQKGOEOZUJPVPL-GHXNOFRVSA-N 496.155 4.870 50 40 JJGB N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)N1CCOCC1 408763981 VGSREDKQACXVSN-RELWKKBWSA-N 462.505 4.978 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408791702 BCTSQSHDUBRREX-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1cc(C(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1I 408854779 BBTPDGVDVJUEBV-UUYOSTAYSA-N 479.705 4.508 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408914866 ZGWXFYPPNDYBRJ-OVVQPSECSA-N 480.406 4.682 50 40 JJGB COc1cccc(/C=N\NC(=O)c2cc3ccccc3o2)c1OCC(=O)Nc1ccc(C)cc1 408944586 MXRPBCLMIBGQLL-DICXZTSXSA-N 457.486 4.531 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2)cc1 409330569 BDJPDSNFYVSAIX-IBGZPJMESA-N 453.589 4.518 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])c(C)c1 1107294 NUQORQIJVNCVLA-XMMPIXPASA-N 489.528 4.942 50 40 JJGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)N=C(O)[C@H]2C(=O)OC)cc1 9088364 HCPKACSRFAFNHI-VXKWHMMOSA-N 493.585 4.652 50 40 JJGB O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccccc1Br 10060101 MANDQUIOLJTSFF-WSDLNYQXSA-N 485.250 4.822 50 40 JJGB O=C1/C(=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1Cl 13941883 IDDBRSJPLAADQK-ZXPTYKNPSA-N 495.966 4.643 50 40 JJGB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1F 16493733 NWISIUFYZVEWQM-MZJWZYIUSA-N 492.601 4.708 50 40 JJGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccc(C)cc1 20206857 DBKVIWYFNACJHO-LQKURTRISA-N 493.629 4.583 50 40 JJGB Cc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558548 RZSVSOHTODFYRG-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)NCc1ccccc1 33376325 JAEOUFCPHFIHBW-XDHOZWIPSA-N 463.896 4.720 50 40 JJGB CCc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 33408474 RRMXVZIEQFKCHO-CEUNXORHSA-N 491.657 4.558 50 40 JJGB CCOc1c(I)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC 33740379 KZBIMNYAEVKWIV-ZVHZXABRSA-N 488.325 4.545 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 58912969 ZRTUKCJPSBUMIF-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)c(Br)o1 96838787 LHMFSJNFTPUDIZ-DVZOWYKESA-N 470.932 4.641 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(Br)c2)cc1 408746606 SZRXUSNXKSHURQ-GHXNOFRVSA-N 466.129 4.774 50 40 JJGB CC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 408835406 XJATWYQZXPQBDE-BRJLIKDPSA-N 494.400 4.756 50 40 JJGB N#C/C(=C/c1cc(Br)c(I)o1)C(=O)Nc1cccc(Cl)c1 408849820 ZNXIULDHLQDSBH-YWEYNIOJSA-N 477.483 4.846 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1C 409270932 ISHNSGPGOLYSOM-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@H](CO)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953119791 PRKOBXIKZBKZHU-GOTSBHOMSA-N 483.725 4.571 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1OC 3379274 JXHDCYVZSSTGJI-LDADJPATSA-N 476.460 4.616 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)c1cccc(Cl)c1Cl 19926524 QUIZCYMCNOEADI-LGJNPRDNSA-N 494.375 4.863 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccco1 20029133 YZACYKUHHKXEBU-NRFANRHFSA-N 469.950 4.730 50 40 JJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3OC)o2)ccc1Cl 107838206 OVILMMHYNUSHPX-DHRITJCHSA-N 456.882 4.558 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cc(C)cc(CC)c3)c2C)cc1 408781086 RJELAPYPGAPUBL-NTFVMDSBSA-N 461.562 4.671 50 40 JJGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 408924556 JXSVXWKOWPYWKO-VKLJRCAFSA-N 489.597 4.697 50 40 JJGB N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 408991422 OBUZTIBQICJUHK-FOWTUZBSSA-N 466.486 4.662 50 40 JJGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Br 409138791 HZONTPLDCYVTGJ-KRWDZBQOSA-N 478.140 4.700 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409264354 OZGAGUJJHHQWNL-OEAKJJBVSA-N 469.541 4.553 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 935155 XHMMGUGEXPRMTN-UEIJICEPSA-N 452.750 4.558 50 40 JJGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1O 1066547 DCWXWUAOIZYMGK-IZZDOVSWSA-N 454.074 4.898 50 40 JJGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1c2ccccc2cc2ccccc12 3045176 VZYFVBRBUBQWTH-JVWAILMASA-N 465.538 4.790 50 40 JJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 9203092 HHLUXKOMHRMZQF-SSDVNMTOSA-N 462.687 4.964 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 9360834 PRBGXDCWYFBWCW-QGZVFWFLSA-N 451.870 4.645 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1 9907478 MLLHULOJXICVNZ-NDZAJKAJSA-N 484.939 4.945 50 40 JJGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc(Br)ccc1O 16385908 UDINRPMIGQFCSV-NKVSQWTQSA-N 464.659 4.740 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccco1 20029132 YZACYKUHHKXEBU-OAQYLSRUSA-N 469.950 4.730 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 35317917 ATQKIUDFLMULJX-AFUMVMLFSA-N 466.335 4.750 50 40 JJGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 40138190 AQWVRANTJXVSOX-OVXWJCGASA-N 493.563 4.863 50 40 JJGB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 46084973 LBJBUXWAGIZRPF-BLCKFSMSSA-N 497.595 4.995 50 40 JJGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 59472830 HTXNRJZXTDSPTE-VULFUBBASA-N 490.412 4.956 50 40 JJGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2c1 408781595 CPBREUYMWRHLIX-YQTQYSASSA-N 451.530 4.845 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 408797528 SKCQRAJNHFTRGF-LICLKQGHSA-N 457.324 4.554 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(OC)c2)cc1 408804277 WZFXZWUYRIMWFE-OQLLNIDSSA-N 492.313 4.641 50 40 JJGB Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 408971726 KJWSGOQYNKYLBM-VULFUBBASA-N 490.412 4.643 50 40 JJGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1 408973599 UOOOPYZVTODCGM-QKGCKYQJSA-N 484.383 4.639 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 409007183 UWGRQWIQAASANU-RDRPBHBLSA-N 475.976 4.922 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409117747 MOCNDVQCJMWDBR-JVWAILMASA-N 484.021 4.552 50 40 JJGB COc1cc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccccc1Cl 409266745 YEDUHJSWUGJZTO-ZYCZWSMLSA-N 491.975 4.739 50 40 JJGB Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c1 409316122 XRVICCGSYDUBSU-SFHVURJKSA-N 470.392 4.777 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccccc1 860574 WOUSCWWBFJNOLE-OAQYLSRUSA-N 451.320 4.843 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1790252 BWSQBZKDSOLISK-CIJMEZBMSA-N 475.339 4.578 50 40 JJGB N#Cc1ccccc1OCC(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13109959 VEXHCHDMIWFEOF-FJEPWZHXSA-N 481.430 4.566 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)C(C)(C)C 19953404 IIDIGXQGBYVAKH-OEAKJJBVSA-N 456.395 4.727 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(F)cc1 26123538 CRFDSTYFOYITPM-DHRITJCHSA-N 457.299 4.940 50 40 JJGB CCCC(CCC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 59435893 VIUDGRGNGQFALX-UHFFFAOYSA-N 464.031 4.646 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c3ccccc32)c1 107745977 FMRZLOGAKHVJPF-CCVNUDIWSA-N 475.932 4.659 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OCc1ccccc1 408881922 LAWKGWBLOCZWDV-WGLQLPMYSA-N 483.362 4.875 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)cc1 409186937 JVJUMHJVPUFTTH-UQBCLUHRSA-N 450.546 4.701 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1C 1015206 MJABPJSDZJBYLF-UXHLAJHPSA-N 471.557 4.936 50 40 JJGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1 2312486 PBYPTLOJZNYISM-VWLOTQADSA-N 471.582 4.999 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1cccc(C#N)c1 8811163 WYLCBCRKWITEKW-WKULSOCRSA-N 493.947 4.970 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 9270770 NVZUKYGJIXAREM-FGZHOGPDSA-N 498.004 4.573 50 40 JJGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152045 JOAZMJVZPPEZMB-LFYBBSHMSA-N 476.341 4.814 50 40 JJGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)NC(C)=C1C(=O)OC 20348693 ZYMZQURSZUWLLX-XMMPIXPASA-N 477.586 4.635 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2F)cc1 20499719 ZVPLOVOOBIMKKW-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 34798746 DCYOBSSXIAHXMC-DAYGRLMNSA-N 458.914 4.936 50 40 JJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59333176 NOVNBEXWTHAVSO-JXAWBTAJSA-N 461.905 4.554 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408896450 NSFBHGCCABDGRM-XDHOZWIPSA-N 458.430 4.936 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1 409027378 BQZPLHKRTRLLDS-WPWMEQJKSA-N 463.603 4.849 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409309283 DWKJOLUOUWNNAC-WGARJPEWSA-N 483.908 4.998 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccccc2)cc1 1241438 IHFGDTHJJZQSGW-LQKURTRISA-N 482.569 4.667 50 40 JJGB N#CC(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)=C1Nc2ccccc2N1 3280644 YXWCWJMYHOISHY-UHFFFAOYSA-N 479.418 4.843 50 40 JJGB N#C/C(=C\c1cc(Br)c(I)o1)C(=O)Nc1ccc(Cl)cc1 8951838 FOLOHTWFXDRDMA-VMPITWQZSA-N 477.483 4.846 50 40 JJGB CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 9380348 PJWRCCQRWCNKGU-FYAMCCBRSA-N 497.576 4.928 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N 9693477 RPRDOLAKBHVYME-INIZCTEOSA-N 456.365 4.677 50 40 JJGB CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4C)cc3)nc2s1 20331862 UGVBARGQIRILPV-CPNJWEJPSA-N 485.569 4.537 50 40 JJGB Cc1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 26687145 DKSGCVFMCGQGEZ-QJOMJCCJSA-N 464.525 4.609 50 40 JJGB O=C(N/N=C/c1ccccc1Br)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 58919211 PXDBMVQSRSLCOC-PODSUIKTSA-N 494.414 4.987 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 107697713 RMORVJVWBDUHAJ-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 108994819 SCMMPJHVFKBIPQ-UFFVCSGVSA-N 478.324 4.743 50 40 JJGB COc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1 408747799 TWKAONRKVZZQED-DXJNIWACSA-N 484.527 4.800 50 40 JJGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 408791351 WICCEPJJQHDUDI-GZTJUZNOSA-N 485.334 4.745 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(C(F)(F)F)c1 409376081 UCNSHZVZWFUBPT-YVLHZVERSA-N 495.295 4.770 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 857433 CUPUGSMGMRWPKH-JOCHJYFZSA-N 454.910 4.572 50 40 JJGB COc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2C)c2ccc(OC)cc2)cc1 1444055 LLVFNZDDOADXQD-UHFFFAOYSA-N 496.563 4.626 50 40 JJGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(C(F)(F)F)c1 2287944 RKBWKUWQJUUJKG-QPSGOUHRSA-N 466.051 4.700 50 40 JJGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1OC 2364487 WTRVPKBUOMUUSA-NRFANRHFSA-N 498.366 4.747 50 40 JJGB C/C(=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(Br)cc1 8780770 RPZOBEIZKNRNND-IWIPYMOSSA-N 493.243 4.964 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 10315752 CGSLJRCJBOQNKO-JVWAILMASA-N 456.502 4.689 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1Cl 16283790 FOOLWSLFUMUENM-BRJLIKDPSA-N 470.982 4.577 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccccc1 59536253 MODWRIBCPFXRIB-HMMYKYKNSA-N 462.527 4.707 50 40 JJGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O 408641863 DFMLVRPLUYNPAP-KRWDZBQOSA-N 485.726 4.519 50 40 JJGB COc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)ccc1I 408748060 XUHRAJGIEZWARH-OEAKJJBVSA-N 472.282 4.856 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 408791629 ZVKUQWNQLPELSJ-HYARGMPZSA-N 456.498 4.915 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408900665 XJRDAYOKGOWFJY-GZTJUZNOSA-N 497.916 4.870 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c(C)c1 409310486 VFPHOKBAGWFAGZ-QGZVFWFLSA-N 470.392 4.777 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1Cl 409311611 BKHWQWVWQYWWOU-KRWDZBQOSA-N 455.967 4.676 50 40 JJGB O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccccn1 2738714 IYUMXILHOJLYCY-OCSSWDANSA-N 493.596 4.670 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c(C)c1 2744295 LGQVOHDUNOIQPE-VULFUBBASA-N 480.362 4.734 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCC 8812922 KJMXFMDIHSMYKQ-SSDVNMTOSA-N 455.736 4.672 50 40 JJGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc(Cl)ccc1O 8951997 FDTBTEDRYITUOY-QLYXXIJNSA-N 498.764 4.532 50 40 JJGB COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 11690315 OEDNAHUVGQSQNH-VOUPIIBTSA-N 497.620 4.789 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 107645469 BTFOKNWTYJUZQP-DHRITJCHSA-N 451.548 4.505 50 40 JJGB COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408761673 APPIAKJVRVKHIH-SDQBBNPISA-N 466.129 4.774 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC 408795725 MYAJAXFEVCAYCA-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408827866 VEJLKVZKTXCBFB-NVNXTCNLSA-N 497.338 4.695 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408838418 VVERSEILXWZNHI-MTDXEUNCSA-N 493.629 4.746 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OCC)c2)cc1 408870805 WWXPOCQYLOKFHJ-OQLLNIDSSA-N 462.287 4.634 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 409025885 ZMYNHWNYFLWYTF-RWPZCVJISA-N 489.519 4.744 50 40 JJGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1 639237 KAHXRIQPMBNRCU-INIZCTEOSA-N 470.392 4.777 50 40 JJGB O=[N+]([O-])c1ccc(Sc2ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc2[N+](=O)[O-])cc1 3227265 PNYZOOXLOURWQJ-CYBMUJFWSA-N 456.807 4.555 50 40 JJGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)Nc1ccc2ccccc2c1 9284720 MAFVAMCUBPWDFO-PXLXIMEGSA-N 450.498 4.731 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)c(Br)c1O 9311321 WPMFTRIJBJRUQJ-KPKJPENVSA-N 466.129 4.780 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 9353858 JLABEVWVNMKJHP-KRWDZBQOSA-N 470.392 4.722 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C 9647923 FSKONYOYPZTIEI-SKCQWOFPSA-N 464.591 4.662 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(F)cc1 9668341 YGAYTBIKJRWSQF-VULFUBBASA-N 485.309 4.970 50 40 JJGB CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2)c(OCC)c1 9944297 DDCCBZUGPUPOIS-YVLHZVERSA-N 477.298 4.739 50 40 JJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(I)cc1 10118430 VZXALRIBRDIVTH-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cc(Br)ccc1O 14408708 AISXOKWPSZRCTE-FSJBWODESA-N 467.348 4.833 50 40 JJGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 16712489 YTQYWLFBWWMXBQ-LGJNPRDNSA-N 483.384 4.879 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccccc1 408613414 ZQECPPKJQIQQBE-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408758893 UDYXUZSVDRTTHM-RWPZCVJISA-N 459.889 4.637 50 40 JJGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408854932 KWFJKILBQAKJQA-SXGWCWSVSA-N 483.753 4.752 50 40 JJGB O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408905264 WDFQIFHGWRBVPY-CFRMEGHHSA-N 460.402 4.592 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 409017518 RXLQUZBIDMCRFD-AXWOXHCSSA-N 494.419 4.759 50 40 JJGB C[C@H](C(=O)N/N=C/c1c(F)cccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027044 SONKZPJMVLVROJ-KSXCTLEASA-N 489.956 4.576 50 40 JJGB N#C/C(=C\c1cn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409201178 ODBMZGUEMKFXDO-WSDLNYQXSA-N 460.493 4.513 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 8843048 AUJYOJVFLOWCBS-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 9187380 GJJKMYHLNVIMII-XSFVSMFZSA-N 496.523 4.830 50 40 JJGB COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(Cc1ccccc1C)c1ccccc12 20558669 FPYPQOQFLFNALO-XMMPIXPASA-N 485.565 4.530 50 40 JJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 28213583 LYTZZMLVKLUZPG-NDPRVOFDSA-N 475.614 4.635 50 40 JJGB COc1c(Br)cc(/C=N\NC(=O)c2ccccc2-n2cccc2)cc1Br 28632522 WLWWTEXEUKZLID-UUYOSTAYSA-N 477.156 4.775 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 59436897 MAWCFOQVBZWNRR-VUTHCHCSSA-N 486.572 4.822 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(I)c2)cc1 96476294 ZYVMPSZSESWLGN-NTUHNPAUSA-N 497.130 4.867 50 40 JJGB O=C1C(Cl)=C(Cl)[C@]2(Cl)[C@@H]3C=C[C@H]([C@H]4[C@@H](Br)[C@@H](Br)[C@@H]43)[C@@]12Cl 104129574 YPOSEOALJLAJOD-ZOGLGSJPSA-N 481.826 4.802 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 207907158 OGVKGAVJWFBPID-UYRXBGFRSA-N 459.458 4.737 50 40 JJGB O=C(NNc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1)Nc1ccc(Cl)c(Cl)c1 408725048 IMHXRYWMWCCIJN-UHFFFAOYSA-N 481.347 4.658 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)NCc1ccccc1 408760950 BDZRTZHNDVITKR-BUVRLJJBSA-N 468.534 4.831 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc([N+](=O)[O-])c1O 408818088 ZFSUFZNRCUEFRU-YUMHPJSZSA-N 470.485 4.839 50 40 JJGB CSc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 408921085 CVECWYCSXTWWPR-MFKUBSTISA-N 488.034 4.792 50 40 JJGB CC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 409012804 KWWIBCZPPFIIRJ-DNTJNYDQSA-N 460.553 4.914 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409056710 HWPOXGBWJFZKFO-VULFUBBASA-N 490.412 4.643 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)[C@@H](O)c1ccccc1 409349301 POSDQCJYXWZJJB-LHXREVONSA-N 473.754 4.865 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(O)c1 409389995 BLMKGRHTQIWEII-LQKURTRISA-N 456.498 4.906 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(OC)c1 1439546 PPBZHPVYTNYUJF-UYRXBGFRSA-N 460.461 4.746 50 40 JJGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl 2311196 UWXHJAPOSXQADD-RTWAWAEBSA-N 483.977 4.989 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 3659562 JKRNARSFBKRQGO-JFLMPSFJSA-N 466.921 4.795 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 9009857 RCADDTPRAKTGSX-ITYLOYPMSA-N 486.557 4.783 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739788 IJPISXVNTLAGTA-GPSDDGMOSA-N 457.555 4.639 50 40 JJGB Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc([N+](=O)[O-])cc1 27519369 KQLJHPZCTJZANF-MUFRIFMGSA-N 493.523 4.621 50 40 JJGB COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 34869904 IGRJFICHECTOQN-DNTJNYDQSA-N 468.716 4.998 50 40 JJGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 100962754 QSTOADXMXUKEDW-GZTJUZNOSA-N 473.312 4.799 50 40 JJGB O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408608890 QGIIBXZMMQYYFM-QGZVFWFLSA-N 498.352 4.663 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 408612637 WISPLXFIHBSWSU-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 408783147 LJBXBOVOPBXWBU-TURZUDJPSA-N 481.593 4.859 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1 408851009 UIZIPRQWXGSAFX-AFUMVMLFSA-N 454.324 4.586 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409314839 HJJHNYYSJLELLX-HNNXBMFYSA-N 462.358 4.713 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1 657459 SVNSQPWZOWNYQE-ZMOGYAJESA-N 465.263 4.785 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 716674 DHQGHRSBWHATSL-JOCHJYFZSA-N 484.581 4.811 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccccc1 860573 WOUSCWWBFJNOLE-NRFANRHFSA-N 451.320 4.843 50 40 JJGB COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(Br)cc1 1445164 NTCBCPDLNNMCHZ-VULFUBBASA-N 497.345 4.514 50 40 JJGB N/C(CCl)=N\S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 2161493 YPBWSSSLBNNKJF-UHFFFAOYSA-N 473.121 4.632 50 40 JJGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1C 8670295 WGANZZYCOFDXBX-IPPBACCNSA-N 464.447 4.785 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(C)cc1 9614417 ADFYRCKXZCWOSM-LQKURTRISA-N 460.530 4.759 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856594 RAKQYROOQMZPSK-KDOFPFPSSA-N 499.188 4.879 50 40 JJGB O=C(CCCSCCCC(=O)N/N=C/C=C\c1ccccc1)N/N=C\C=C/c1ccccc1 17284822 LIPSAVBKPCSNKY-MLUMGUIDSA-N 462.619 4.911 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)CC1 20240577 LDNSXNDNPSHOIW-AJBULDERSA-N 494.595 4.640 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc(C)cc1 30843651 KYGKVONMYMYZOI-NTFVMDSBSA-N 460.530 4.759 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C#N)c1C 408546232 FIXNFKOFXCFFRJ-WQRHYEAKSA-N 492.557 4.722 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408640060 AEPTVQNZBPBXGJ-RDTXWAMCSA-N 454.737 4.770 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 408968278 XTJONFRJTSRSAN-MXAYSNPKSA-N 498.333 4.891 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409045693 HEGJDEWALXVKOE-HMMYKYKNSA-N 471.513 4.657 50 40 JJGB COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O 409225530 QUSHACOVLVYNNF-ROTLSHHCSA-N 459.285 4.691 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409248118 KAWDIACXAZNBIX-ACAGNQJTSA-N 468.724 4.726 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)ccc1OC 409324073 RXGKLFLLJBNKHT-VYYCAZPPSA-N 482.920 4.788 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 409340705 ATNYSZUOUZEXJZ-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 2345824 KLCYYAOAEGOPQN-JVWAILMASA-N 471.586 4.802 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nnc2-c2ccccc2)cc1 9086541 BCIGDVVGAPZVHS-OVVQPSECSA-N 487.585 4.671 50 40 JJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1OC 9693117 NGYLGPYTMVCDLS-QGZVFWFLSA-N 486.391 4.686 50 40 JJGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 20232434 CKZPWIWTFAVDDT-UHFFFAOYSA-N 455.624 4.975 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)N/N=C3/CCCC[C@@H]3C)n2-c2ccccc2)cc1 28632427 GYGXCXLBIGWHCU-KRFPAQGRSA-N 462.623 4.962 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 33500367 ADCNXZOCCFXYLQ-OGLMXYFKSA-N 453.498 4.630 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c(OC)c1 35377758 HZLSFYRCKYSQMY-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1Cl 58913079 ZXIXYNYIPZNOCD-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408606695 AGEXNZMXGKSPQX-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Br 408733806 ACSCISZXXUKVPG-NTUHNPAUSA-N 466.129 4.593 50 40 JJGB C#CCOc1cc(Br)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408904271 HITYMQJPZJSJGS-JJFYIABZSA-N 495.171 4.696 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 409028945 VEDDWQYRLSNPDR-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccc(Cl)cc2Cl)cc1 409060084 SLEHYTGYBQXSAA-WYMPLXKRSA-N 496.441 4.705 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409247918 DXUZNJAUUMWERP-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB Cc1cccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 409267405 VMFLZHPVCZKYMO-MOSHPQCFSA-N 470.485 4.775 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 1083349 SHFHKZBUSQFMOZ-WPWMEQJKSA-N 455.470 4.549 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1Br 3117402 AKYULICBPZCKQD-MZJWZYIUSA-N 496.361 4.548 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC 9204763 WYBBVKXQKDRVPN-YDZHTSKRSA-N 496.199 4.868 50 40 JJGB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1 9345812 SOKPKQYQLAYOLJ-LTGZKZEYSA-N 488.588 4.757 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 36235358 NIUZPRMCZZVPPK-MVWWTSRDSA-N 482.323 4.643 50 40 JJGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O 408653377 PQWTUDUJMFNHAB-QGZVFWFLSA-N 485.726 4.519 50 40 JJGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 408786084 LORMJSYBDBFQLX-PCLIKHOPSA-N 476.385 4.729 50 40 JJGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccco3)cc2)cc1 408843529 LWSKKURABGHVCM-OGLMXYFKSA-N 483.480 4.524 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1 408912745 RVSDEJPRYBXAAD-NDZAJKAJSA-N 454.501 4.791 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OCc1ccc(Cl)cc1 409390513 DPUXEOKCFVKLDO-VULFUBBASA-N 454.910 4.796 50 40 JJGB CC/C(=N/NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1)c1ccc(O)cc1 8997417 GBNGPXOLWNMERI-VYIQYICTSA-N 487.585 4.671 50 40 JJGB Cc1sc2nc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n(CC(C)C)c(=O)c2c1C 9634614 XZIGDICXJJUOOD-UHFFFAOYSA-N 465.604 4.665 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(Cl)cc2C)cc1 20060062 BDXAJZASWGIBQT-CVKSISIWSA-N 469.994 4.611 50 40 JJGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 32180689 QRKKDXROISCENU-VZUCSPMQSA-N 470.106 4.765 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c2C)c(C)c1 106953450 ZTIMYBSBOAWKEP-WKULSOCRSA-N 450.542 4.975 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(OC)c(Cl)c2)c(C(=O)OCC)c1C 108133241 QVKQNTBSIOQBJH-DHDCSXOGSA-N 475.950 4.791 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)c2C)c1 408857507 HNBSIMWNDLXTJF-LQKURTRISA-N 494.661 4.751 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(Cl)c1OC 408891813 VSKRXNYETNUIMC-MDWZMJQESA-N 482.705 4.898 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408963517 CAVDEHRJQYOVCR-WSDLNYQXSA-N 459.300 4.714 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C2=C1CCCC2=O 409134950 PBABXEGIFVBFRV-QFIPXVFZSA-N 482.353 4.897 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cccc(C)c2)cc1 409186129 WZYXVKOUFRQXKT-RWPZCVJISA-N 489.519 4.668 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC 409319591 IWHWRBNVUVERHM-WGARJPEWSA-N 483.908 4.998 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 1831996 ZRWFSGIWCHIUJC-WGOQTCKBSA-N 465.623 4.904 50 40 JJGB CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc12 2229375 UFTPDDPXKRJJGA-OCSSWDANSA-N 499.567 4.772 50 40 JJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 3087605 NZUZLOXZOJLMAU-LSFURLLWSA-N 484.188 4.878 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 3224391 HHAZDYOZDUINED-JFLMPSFJSA-N 458.905 4.728 50 40 JJGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C#N)c1C 4081817 ZMLSYMQMGLPXFI-HAHDFKILSA-N 469.614 4.900 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3ccccn3)CC[C@@]1(C(Br)Br)[C@H]2Br 4277172 AYSYGAXXLZIKSF-WKPIXPDZSA-N 481.026 4.706 50 40 JJGB CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc31)C(C#N)=C(N)O2 9158055 NEYKTUDUWZKNPE-XMMPIXPASA-N 480.355 4.588 50 40 JJGB Cc1ccc(C(O)(C(=O)NN(c2ccccc2)S(=O)(=O)c2cccs2)c2ccc(C)cc2)cc1 15240277 QWBGDAZQXDEDEC-UHFFFAOYSA-N 492.622 4.528 50 40 JJGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 59233101 PNCLKQDKTTUQDC-QFTJCQGQSA-N 464.363 4.654 50 40 JJGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 59435633 WAKGWIOOHHUMQV-OGLMXYFKSA-N 492.000 4.834 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)Nc1ccc(Cl)cc1 408759928 OHWWRNIHPKOUKB-DHRITJCHSA-N 486.753 4.884 50 40 JJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)cc1 2325121 PPJKSWBPPJCUET-SFHVURJKSA-N 456.365 4.677 50 40 JJGB COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NNC(=O)c3ccccc3)c2C#N)cc1 6157092 BLALUEOJDBKLCF-UHFFFAOYSA-N 494.576 4.849 50 40 JJGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 33717431 MNKDDDKEEKYHIL-PDGQHHTCSA-N 482.471 4.663 50 40 JJGB CCCCN1C(=O)CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1OC 57960469 IDYDNJFYDLRNCJ-DENIHFKCSA-N 463.500 4.937 50 40 JJGB Cc1oc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Br 58926471 MIQKNGXQRJAFPZ-MEXCQQPDSA-N 498.402 4.889 50 40 JJGB COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4ccccc4c3Cl)cc2)cc1 205126253 RPVSJXMIAINWLN-UHFFFAOYSA-N 479.945 4.890 50 40 JJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1 408847716 REARNDIUFILNAC-UFFVCSGVSA-N 465.145 4.976 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408942266 XCNOUXKOBUQEJD-ROTLSHHCSA-N 466.257 4.788 50 40 JJGB O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1ccc(Br)cc1 408950062 DGRNMXYJBBLGMK-SOFYXZRVSA-N 465.927 4.723 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccccc2C#N)C2=C1CCCC2=O 409143360 NAMDRBLYSWCZBV-HSZRJFAPSA-N 489.373 4.630 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409251133 OMZQFXQXQROIFK-BUVRLJJBSA-N 483.568 4.943 50 40 JJGB COc1ccc(C(=O)O[C@@H](c2cc3c(cc2Br)OCO3)[C@H](C)Br)cc1 1628455 FNMUELKAMVRZFZ-DYZYQPBXSA-N 472.129 4.868 50 40 JJGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 2257791 UXNNPFRSELQLAI-WNPPMXKSSA-N 458.587 4.853 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)ccc1O 2325779 TXSWNHIVAPZKMG-CVKSISIWSA-N 481.622 4.609 50 40 JJGB O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccs1 9259332 KRXNRVNKNADBPK-SRZZPIQSSA-N 460.309 4.762 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccccc3C)CSC2=C1C#N 9693470 RXHQPUQROLOBNS-INIZCTEOSA-N 470.392 4.986 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)N/N=C3\CCCC[C@H]3C)n2-c2ccccc2)cc1 15930225 GYGXCXLBIGWHCU-XIGQRACRSA-N 462.623 4.962 50 40 JJGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 33797382 WIWOJLOGOLAGTD-YBEGLDIGSA-N 473.323 4.579 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OC 59224903 RKEDZVKXXZFTQM-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 85430897 YPGAOQFXGLAEKD-ZXVVBBHZSA-N 463.603 4.868 50 40 JJGB C[C@H](NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 97664030 GXFWIUAHRJHXCB-LVRDFQQOSA-N 460.361 4.775 50 40 JJGB FC(F)(F)C[C@H](I)C[C@@H](I)CC(F)(F)F 169795247 ZAFBFXFCLPUOKV-RFZPGFLSSA-N 459.937 4.889 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(F)cc1 408613091 ZHPVRAMXEMPBIG-NRFANRHFSA-N 491.563 4.916 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1C 408748618 BCRIWEHAMIFGGG-DXJNIWACSA-N 495.579 4.575 50 40 JJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408760937 BFCCURLHSMLISJ-LSHDLFTRSA-N 455.883 4.627 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2C)cc1 408860310 YMQHEANIJOHMLW-VULFUBBASA-N 490.412 4.956 50 40 JJGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408979632 NNNFBIOJAKXKJY-USMPFQSLSA-N 482.496 4.866 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc(C(=O)O)c1 409244093 XNTUHPBGERLCMO-QRAWFLTRSA-N 456.498 4.757 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 32138791 DAAWARMLSNRGDN-ZMFRSBBQSA-N 452.894 4.810 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1C#N 59427733 HOCDPBCCKYPWDJ-WCMJOSRZSA-N 494.551 4.669 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(/N=C/N3CCCC3)Oc3c2c(C)nn3-c2ccccc2)cc1OC 102536147 NFQKPLYQBUHHFO-QRGARVHWSA-N 469.545 4.582 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408530378 LPQYLWQMAGMKLP-LGJNPRDNSA-N 497.349 4.807 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 408530808 MSZZNEVUFNJBDJ-VULFUBBASA-N 452.352 4.899 50 40 JJGB COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408792834 CNIBTIUMMNVPSY-VGOFMYFVSA-N 463.715 4.508 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1O[C@H](C)CC 408966870 NWUOVFAHRPPRDK-CJCQAYSXSA-N 462.319 4.800 50 40 JJGB COc1cc(C(=O)N/N=C\c2ccc(Sc3ccccc3)o2)ccc1I 408999740 SETNRUIMOSCHOL-MTJSOVHGSA-N 478.311 4.808 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 409010410 DTJMYINFYZRBBW-FDVSRXAVSA-N 469.463 4.724 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2)cc1 409225871 RVUDDFOOMKFJGY-WGARJPEWSA-N 494.891 4.580 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)cc1 3644265 WYSROVSRWUJOBB-XMHGGMMESA-N 475.501 4.581 50 40 JJGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc([N+](=O)[O-])cc21 8762722 AIJSRAVFRQTPOL-NKFKGCMQSA-N 470.696 4.715 50 40 JJGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)c1ccccc1 8843156 CVDWBHLIMVPVNU-OVVQPSECSA-N 457.555 4.570 50 40 JJGB Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1 9948731 XQPUBKZKLWBBIF-WEMUOSSPSA-N 468.340 4.748 50 40 JJGB CCC(CC)=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 19926441 YFPNQOOPGWXTES-UHFFFAOYSA-N 456.395 4.789 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)Nc1cccc(Cl)c1 28214836 BMVGHOJQUOUGES-RWPZCVJISA-N 473.916 4.980 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 33623541 FDXAEXUQRHSCHR-CPNJWEJPSA-N 459.477 4.706 50 40 JJGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 33657905 SMPKRJQGLGYWTM-AFUMVMLFSA-N 469.335 4.948 50 40 JJGB CN1/C(=C(\C#N)C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)Sc2ccccc21 102287021 MMDDGQDTEIRIFT-HKWRFOASSA-N 470.963 4.940 50 40 JJGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 107991497 QXWKYFIYVPPYNV-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccc(Cl)cc1 408738349 VTCWSYZAKUHFKQ-FOKLQQMPSA-N 493.732 4.822 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 408987686 BOVUIICBEZLNLZ-YBFXNURJSA-N 461.499 4.949 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2310573 GFCUYHSIKGIQDX-XZOQPEGZSA-N 493.585 4.769 50 40 JJGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)ccc1Cl 2414049 PFNZQKRQVCWVEA-SFQUDFHCSA-N 474.904 4.573 50 40 JJGB CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)COc1ccc(Cl)cc1Br 14920576 DADITHLLCUSCHC-ULPCKYPFSA-N 452.692 4.595 50 40 JJGB O=C(CCCCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C/c1ccc2c(c1)CCC2 19891305 OSGSDRIYFUXPAO-CZYCKNNWSA-N 458.606 4.605 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1)S(=O)(=O)c1ccccc1 19937053 IPHYQYYTIYSFMD-SGWCAAJKSA-N 490.629 4.678 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)Nc1ccccc1Cl 28214816 DCVLLJZJHAFLNP-RWPZCVJISA-N 473.916 4.980 50 40 JJGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(Br)cc1 32109241 MIDHGQQDJXNHPO-WGARJPEWSA-N 497.345 4.514 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2O)sc2c1CCCC2 33339705 MYSIQJCJMNYNJQ-LCYFTJDESA-N 475.364 4.817 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1 59536255 OSMYCQUPMFERTB-HMMYKYKNSA-N 462.527 4.707 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3cc(Cl)ccc3Cl)o2)cc1 67192628 KOKNOUWBXMTCHL-ROTLSHHCSA-N 461.301 4.959 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 408568965 LPGYZCIBBYBVKW-QRVIBDJDSA-N 469.544 4.863 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 408730937 WPGZEOSRJXBZLW-WPWMEQJKSA-N 498.004 4.635 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409235285 ZJPASYLUDYHQNU-NTFVMDSBSA-N 477.492 4.743 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(Br)c1 9934440 QZEDXKWFKQIGNU-WSDLNYQXSA-N 485.250 4.822 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 13661517 ACSWGYHPZUNOIV-NTFVMDSBSA-N 492.988 4.680 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 14408780 YPFSCCHSFCJGGI-MFKUBSTISA-N 453.336 4.730 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccc([N+](=O)[O-])cc1 32576859 IYVYLTPDYZQHRA-MXAYSNPKSA-N 479.949 4.889 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCc1ccc(C(=O)O)o1 108934551 ZDKMWKGMSXKBQF-RWPZCVJISA-N 487.512 4.737 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1nc2ccc(F)cc2[nH]1 408569864 QRHXTBRBQGHLKM-OQFOIZHKSA-N 484.066 4.839 50 40 JJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408854211 ZTVQFBDGLJDLIU-WKULSOCRSA-N 498.539 4.662 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408898461 LNTDHLVYTLTUMI-RIYZIHGNSA-N 460.284 4.619 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I 408965968 YCLZGQRDJGDKGG-FOKLQQMPSA-N 474.220 4.639 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1 408983022 ZWLHKAJKXPWJMW-RCCHARBYSA-N 475.545 4.602 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccc(F)cc1 409140680 HTJVWGXJWBMUEW-JOCHJYFZSA-N 499.336 4.991 50 40 JJGB O=C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl)OCc1ccccc1 2559969 LZSDGDUEULDGQO-QHCPKHFHSA-N 463.917 4.793 50 40 JJGB in-vitro O=C(CN1CCCc2ccccc21)N/N=C/c1sc(N2CCCCC2)nc1-c1ccccc1 3192033 WGBXQEPUHZBPHK-OVVQPSECSA-N 459.619 4.703 50 40 JJGB O=C(N/N=C/c1c(Cl)cccc1Cl)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3207729 KXAKDHSVUGPQGI-MVWWTSRDSA-N 482.323 4.643 50 40 JJGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C(=O)Nc4ccc(C(C)C)cc43)cc2)cc1 3284434 BKTOLLNPSXONLK-UHFFFAOYSA-N 457.530 4.874 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc(F)c1 3628402 GVDGLXJLNCXKFW-RUZDIDTESA-N 460.461 4.750 50 40 JJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 9291549 QIMGVGZMGCNAQA-JOCHJYFZSA-N 465.469 4.782 50 40 JJGB CC(=O)Nc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 20235132 BBDKEASBIZDAJJ-CAPFRKAQSA-N 459.477 4.788 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1OC 20243866 NBVIJGCGAHVERB-DHRITJCHSA-N 470.367 4.946 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(OC)c1 35335048 AEJXUCQRAFJIAP-MZJWZYIUSA-N 494.345 4.681 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Br)cc1 59445025 ZGSJSNZQTBPEKZ-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 108279701 ZVGUIAHRZOPJPC-LGJNPRDNSA-N 484.325 4.890 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408796209 XKEIPEXEHIWCST-XDHOZWIPSA-N 462.889 4.928 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 408978820 KLSOCHMPGZQJAU-NHFJDJAPSA-N 484.021 4.656 50 40 JJGB COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(C)=O 409226824 XGKKNQJSTBVOAX-VYYCAZPPSA-N 480.904 4.565 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 409324176 RKUYSNLHCBEVRT-QRQIAZFYSA-N 475.545 4.574 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409325139 XBTGNVIUUFOTNL-NTFVMDSBSA-N 464.493 4.751 50 40 JJGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 2494626 ZCPJSNAMIRSGSS-VFNWGFHPSA-N 451.320 4.666 50 40 JJGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1)c1ccccc1 28213770 SEYSYYAGZTXCJH-HUZSXYRPSA-N 496.032 4.980 50 40 JJGB Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c1 30838926 KBIIATFTCKOTMH-LDPRLBCLSA-N 497.345 4.807 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(=O)Nc1ccc(C)cc1 33627505 RYNMEXWGOJLHHX-OCSSWDANSA-N 497.551 4.947 50 40 JJGB CCCCOc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 408728215 WXKFGWMXMJOGMM-DIBXZPPDSA-N 479.602 4.596 50 40 JJGB CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 408765508 LOMMUWHJLWMHSO-AUWJEWJLSA-N 478.140 4.991 50 40 JJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 408783102 KAPPAZCCANDZEQ-WCSRMQSCSA-N 477.742 4.842 50 40 JJGB COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)ccc2OC)cc1 408888533 WTJKZFOXQXFBRZ-LGJNPRDNSA-N 473.312 4.994 50 40 JJGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)c2)cc1 408925000 PYJGZNBWATXILG-QGOAFFKASA-N 482.945 4.970 50 40 JJGB O=C(N/N=C\c1ccc(O)c(I)c1)c1cc(-c2ccccc2)nc2ccccc12 409030950 FVZUGUHQHQQLDW-QFEZKATASA-N 493.304 4.976 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OCC 409324664 USFBUHOSZOOXBV-MIXAMLLLSA-N 487.556 4.740 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 8860729 DINRFGJBKUHRBG-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB O=C(N/N=C1/CCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13141268 UXYYCMGQQRCXNC-LVWGJNHUSA-N 453.951 4.611 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl 19951895 ZOOJACGNUVGVJJ-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 20248672 KQJBEPVNEKUBRT-CAXHMGJHSA-N 490.654 4.948 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 28215396 ZCGMAEFMJMNNTF-LGJNPRDNSA-N 472.328 4.783 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30750481 OXOGYWDQGWAZFR-FBHDLOMBSA-N 465.025 4.735 50 40 JJGB CCOc1cc(Br)c(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 100372746 BNRZJIJVKFNTKS-NSIKDUERSA-N 451.324 4.865 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(C#N)c1C 408546984 PXCXREGZHPYMRB-LICLKQGHSA-N 474.494 4.782 50 40 JJGB Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1Cl 408587410 FRTUMPKOPDTYIV-NSKAYECMSA-N 459.333 4.692 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 408830929 UIVSIOAHRZQHDX-TURZUDJPSA-N 493.629 4.828 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 408874483 CJLKXYKXBBURHA-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 409012781 KOTKMBHHGWMWBG-OGLMXYFKSA-N 453.498 4.630 50 40 JJGB N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409082428 JDEKPJYRGMQCOU-DHDCSXOGSA-N 475.373 4.749 50 40 JJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409231449 KIHFLRNNPVACKV-UYRXBGFRSA-N 455.352 4.678 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409376421 AQUYQDPAFHIRLO-VYYCAZPPSA-N 469.900 4.659 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C)cc2)c(OC)c1 1439526 OUUKHPMIKDEIBO-STZFKDTASA-N 456.498 4.915 50 40 JJGB O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9137578 ZRTYAAHRKUERPF-UHFFFAOYSA-N 453.589 4.993 50 40 JJGB O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1 13801442 BJGYAOUUJBINGB-MKYUKRCKSA-N 466.582 4.599 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 20060003 WNUTXXFTUJXZQD-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 38680159 GDJCWCKJBXJPQQ-OAQYLSRUSA-N 450.853 4.925 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccccc1 59034405 HOGJBKOCGZVTJN-CVKSISIWSA-N 475.526 4.688 50 40 JJGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 408606147 OVAUJJVWEOVGSY-GOSISDBHSA-N 474.464 4.913 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408862360 IUGJKLUIWORTCJ-JCFYCSFDSA-N 471.582 4.790 50 40 JJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 408878046 VXBPHVYKBVFSQZ-ZVHZXABRSA-N 468.307 4.629 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(I)c2)c(F)c1 408968418 WKMXZNWDONXWEN-LGJNPRDNSA-N 499.283 4.645 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409073230 GGDGMAAOTVYSBI-DEDYPNTBSA-N 496.972 4.730 50 40 JJGB CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2O)cc1OCC 409219736 PPECGAMIYZZWKA-DICXZTSXSA-N 482.920 4.826 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccccc1Cl 409266230 PYWJAWYPTGLXKK-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1OC 1807945 HPYTUPUAUSCOER-HUSFYUSLSA-N 463.372 4.863 50 40 JJGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 8735739 ZWYQZRRZDNCBKY-YUMHPJSZSA-N 462.962 4.672 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 14407508 VYWWJTAVNPTWTD-FOKLQQMPSA-N 488.294 4.610 50 40 JJGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c3cc(F)ccc3F)c2C)cc1 40161892 OBPGLRGREWDXRW-WQRHYEAKSA-N 450.441 4.714 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 58913170 MCMHSZLEVKTNJY-VULFUBBASA-N 452.942 4.543 50 40 JJGB CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 58913432 KRKPMWTYJAOVDU-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59333144 CDSFSHFGKPNAON-QQTULTPQSA-N 466.585 4.915 50 40 JJGB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NNc2nc(-c3ccncc3)no2)c1=S 78743347 RFOCBQUGZSLWIU-UHFFFAOYSA-N 499.000 4.513 50 40 JJGB COc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 108027116 LAZBXUCLGCXPFK-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB CCOc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1Cl 226361250 FKDZLWNDYKGSQJ-ZZXKWVIFSA-N 460.155 4.737 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408566687 IKIYFLRTDCRACA-WUXMJOGZSA-N 463.250 4.778 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408761611 HDMRRLMGLITTIQ-SSDVNMTOSA-N 458.268 4.698 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC(=O)OC 408794217 ILJYGTLGNHCEDG-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408883159 RSWNHEYMPNFLIJ-DEDYPNTBSA-N 487.468 4.816 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1 409091214 RQZVNBPPBNIWGN-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1Br 409333165 JADJIOITRCZEIL-IWIPYMOSSA-N 459.340 4.741 50 40 JJGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc(Br)c2)cc1OC 409376178 VNRMECPHTZYTEK-DOQYOOLYSA-N 469.763 4.818 50 40 JJGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 2215865 ZMCIZKKMLWYUNE-VULFUBBASA-N 462.962 4.590 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)o2)cc1 2773576 XUHPNDQZIFZTCL-ZMOGYAJESA-N 465.556 4.975 50 40 JJGB C=CCc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 9261774 VKHBRBWEMZWYMB-XPCGLTFESA-N 491.544 4.503 50 40 JJGB C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c1cccc3[C@](C)(c1ccccc1)CC2(C)C 10075450 IUVBMXOKIJIXAJ-AHFZSLFQSA-N 479.580 4.736 50 40 JJGB O=C1Nc2cc3c(cc2/C1=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)OCCCO3 17414866 AASHDSFTMVFSQP-UHFFFAOYSA-N 498.926 4.803 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558614 QNOGIGHHNQPSHU-QHCPKHFHSA-N 455.539 4.522 50 40 JJGB COC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc2c1CC[C@H](C)C2 20572234 FBHBBIAFDNJWNE-NSHDSACASA-N 459.618 4.506 50 40 JJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC 35213441 ULIGNCRDKKZUAD-YSRRJJCPSA-N 451.932 4.677 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)c(Br)c1O 408859464 XUEQYMNXDAAZMX-NKVSQWTQSA-N 482.128 4.826 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1 408956414 WOGIAGSKVNASAJ-ATVHPVEESA-N 456.458 4.611 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1OC 409313106 BIZVHAGALPGYRT-MYYYXRDXSA-N 494.460 4.857 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccco1 1022698 BVCGMXHHLOOCQL-CVKSISIWSA-N 459.458 4.625 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1888710 FNKMHJUSAUWBBM-YDYXIROLSA-N 457.530 4.568 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 3162734 XVTXSUYBJIXTGJ-AFUMVMLFSA-N 453.336 4.866 50 40 JJGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)c1 8566709 CRPYGGBNTACTLK-DEOSSOPVSA-N 480.524 4.891 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cn1 8744448 CPPCHVYKJTWPEH-JFLMPSFJSA-N 456.458 4.637 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CCSc4ccc(F)cc43)cc2)cc1 12531600 ZXGHPXPQWXNUCP-SLEBQGDGSA-N 497.617 4.585 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C#N)cc1COc1ccc([N+](=O)[O-])cc1 20258608 AECLAHJOXVIKBE-LICLKQGHSA-N 460.471 4.661 50 40 JJGB CC1=C(C(=O)NCc2ccco2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 20347486 DZHOMNXUEHQACP-HSZRJFAPSA-N 459.527 4.501 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 20760101 MQMMQVWAOOBNTO-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)C1 101357484 MDLPSNBGVDNIDV-BYHHNZPDSA-N 481.600 4.574 50 40 JJGB COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC#N 108058645 DVBWKQQRTCTHJS-LQNQUEJISA-N 498.539 4.941 50 40 JJGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc21 208203452 WMPANCIOHDDWCD-WQEJZQBCSA-N 461.347 4.777 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 408533485 SMACKFJRMOQUKR-CCVNUDIWSA-N 477.362 4.770 50 40 JJGB O=C(NNc1cc(Br)ccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 408607073 MWUDCSCAVZFXRN-SFHVURJKSA-N 480.362 4.524 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 408762254 AJTKCAKDTFGTJQ-BHGWPJFGSA-N 459.262 4.568 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br 408787787 GFYPOSGSLHOXMN-OVCLIPMQSA-N 477.742 4.899 50 40 JJGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409326125 HBAPLPKCQOESEQ-NTFVMDSBSA-N 478.932 4.712 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 3143140 SVUUZLUQKHNIPT-QILYSCSISA-N 478.552 4.533 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccccc2)cc1 9334275 VKHXTLKJADWOKS-BUVRLJJBSA-N 463.588 4.637 50 40 JJGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 20060177 BBIZKDKETHGPNM-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240675 RXISFNXKGDKCAK-VUTHCHCSSA-N 455.558 4.603 50 40 JJGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2cccc(C)c2)c1C 20243725 PZLSVQIMNMKZMY-DHRITJCHSA-N 470.367 4.703 50 40 JJGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 33490893 HNLKFEQJVROHRS-UNOMPAQXSA-N 466.453 4.842 50 40 JJGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cccc(F)c2)c1)CCCC3 408731542 LOUCMEUVGALKSF-VYYCAZPPSA-N 460.534 4.537 50 40 JJGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 408980258 QDMUPBKOASTZTP-VNSNFZHPSA-N 490.516 4.501 50 40 JJGB COCc1cc(C)nc(SCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N 409008326 VXTSDCNATFEVHM-QDTIIGTASA-N 482.650 4.951 50 40 JJGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC(C)C)cc3)cc2)S(C)(=O)=O)cc1 409025571 SQLIONJEOPSBFO-OGLMXYFKSA-N 493.629 4.760 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 409222002 ATCRGPVNBDMTHZ-ZMFRSBBQSA-N 485.309 4.558 50 40 JJGB COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC 9693379 FTYVPTGFQRUJKL-MRXNPFEDSA-N 485.993 4.894 50 40 JJGB CCCc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 9972394 MQDUDCLVBMDXNM-PMERELPUSA-N 487.563 4.744 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)N/N=C3\CCCC[C@@H]3C)n2-c2ccccc2)cc1 15930231 GYGXCXLBIGWHCU-AZINHNKBSA-N 462.623 4.962 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1cccc(Br)c1 20240388 UPGOYNIPSFAGKW-VFCFBJKWSA-N 491.433 4.925 50 40 JJGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(C(=O)O)o1 105436557 VTMOAQFDEICUBY-IUXPMGMMSA-N 468.469 4.574 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c[nH]c2ccc(Br)cc12 408567685 GCGBQGWIJZNUNN-FOKLQQMPSA-N 476.421 4.938 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408610623 OPNZPCWDCMRDJH-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1Cl)OCc1ccccc1 408736680 FGXKHKIYGGOXMV-KSWAXPHNSA-N 474.948 4.809 50 40 JJGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408788589 LKPWJTMETYTPOQ-SFQUDFHCSA-N 469.335 4.804 50 40 JJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 408819305 REPKDEARGIIGTB-LSHDLFTRSA-N 458.139 4.850 50 40 JJGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408858995 RXMSMAPANZHKNZ-MIXAMLLLSA-N 467.525 4.768 50 40 JJGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccs1 408969034 GBABXYTYMNKIMT-RMEWGCIUSA-N 490.412 4.700 50 40 JJGB CCc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409117600 PJSSTLNGWOLXKF-JVWAILMASA-N 484.021 4.552 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(F)cc1 409126611 LOWSHZCAEKTTOG-OAQYLSRUSA-N 454.885 4.881 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)c1 409255031 KFLLABYHMLFXQN-QFEZKATASA-N 466.335 4.539 50 40 JJGB COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(OC)cc1 639165 NZNSZTRDLPRPMB-DHIUTWEWSA-N 458.539 4.520 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3OC)C3=C2C(=O)CC(C)(C)C3)cc1 1426556 LACYBCAJLDCDGV-XMMPIXPASA-N 459.546 4.653 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1 3225574 GOWQUYHOIZMVTE-LLUUXILJSA-N 450.130 4.702 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(C)cc1 3628366 CIZWTEHCHOHATJ-AREMUKBSSA-N 456.498 4.920 50 40 JJGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)cc1 32929294 KXLKWLPTIQZQSO-RGXNXFOYSA-N 477.564 4.664 50 40 JJGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226766641 MXZXEOICFFEPBI-UHFFFAOYSA-N 472.726 4.918 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)cc1O 408570353 UFYWIZJNBAPFHU-SSDVNMTOSA-N 497.436 4.561 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1 408949415 FKGGHHJQFMNVOF-DHRITJCHSA-N 465.531 4.897 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409025410 QVLQONZADXNSIY-WGOQTCKBSA-N 481.643 4.679 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1 409212111 QETZKDYFLBNHDE-DHRITJCHSA-N 455.967 4.777 50 40 JJGB COc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 2206159 SHISPZIMNFEAHC-UFFVCSGVSA-N 465.025 4.735 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9665285 UDROZSXIQSXHKN-LGJNPRDNSA-N 451.313 4.516 50 40 JJGB O=C(CNc1cccc(Br)c1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 9908353 UQPZQSJFLHLKLE-RMORIDSASA-N 477.702 4.833 50 40 JJGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1C 16347975 CSNKUKHAVBEHDS-XODNFHPESA-N 457.452 4.812 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 19956257 ZOANBQXGIJKORZ-JVWAILMASA-N 467.566 4.603 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@H]1c1cccs1 20028792 HLZXXGPYVKPHNK-QHCPKHFHSA-N 493.610 4.748 50 40 JJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)cc1 20209151 YDMRTFIXQNDRIT-OGLMXYFKSA-N 493.629 4.614 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 28216835 LXNOOOQTAGCNLJ-RWPZCVJISA-N 485.415 4.997 50 40 JJGB COc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1[N+](=O)[O-] 33415937 BPSCIMQYSYPBJY-DICXZTSXSA-N 488.500 4.947 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c1C 408675852 BTYRVLDEVHYXPC-OGLMXYFKSA-N 458.562 4.553 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408760555 ATGSSDGMOFWFRD-HMMYKYKNSA-N 462.527 4.707 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)cc1 408854774 AYXPOTIXCDHYEB-QNGOZBTKSA-N 453.498 4.870 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)cc1 408988587 DYCIVHDQRIRFRR-QGOAFFKASA-N 483.513 4.576 50 40 JJGB C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409024136 XEZQEBLDTIEHCX-KSEXSDGBSA-N 461.699 4.633 50 40 JJGB CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C2=C1CCCC2=O 409134948 PBABXEGIFVBFRV-JOCHJYFZSA-N 482.353 4.897 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)c1 409253926 HCCVOHSLKYQHEC-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB CCOC(=O)[C@@]1(C)c2[nH]c3ccccc3c2[C@H](c2ccc(OC(C)C)c(OC)c2)CN1C(=O)CCl 1083103460 FROURAZTAXWESG-UZTOHYMASA-N 499.007 4.955 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 934999 NJAZWWPWSIPJOG-YDYXIROLSA-N 457.555 4.639 50 40 JJGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl 3146615 RDQZBXBWMROAFF-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 6190706 ZMVKRMOKHLFYOL-MRAZWZEMSA-N 492.417 4.872 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Br)c2)c2ccccc21)c1ccccc1 8836366 DUBMQUWLICNPTH-KJXVGZKYSA-N 499.368 4.751 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)c1 9907191 KYVZXBYWFXPNPO-AWNIVKPZSA-N 479.714 4.510 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 20232959 OOGVCBLSCIPBSV-NHFJDJAPSA-N 463.603 4.985 50 40 JJGB Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 20558483 OAWCDWTUFAFPJK-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)ccc1Cl 20760196 UYSRGHDPIHPAQD-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1 20764347 AQECQIAVOHSPPB-ZVHZXABRSA-N 487.341 4.861 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C 408586367 BMXDSHGVFOKCRP-FSJBWODESA-N 471.311 4.537 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408743357 SIAJREVNKBJQEZ-ZROIWOOFSA-N 460.125 4.769 50 40 JJGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408940998 OZWJDVYJBVVHOP-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409008105 TZUFOBJBXUJRJU-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB Cc1c(/C=N/NC(=O)CSCc2ccccc2Br)c(Cl)nn1-c1ccccc1 409185876 RUUITCYSQDUUDV-FOKLQQMPSA-N 477.815 4.980 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)ccc1OC 409332174 KIONVCAIBYMFOX-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OCc1ccccc1 409353984 WAJIJKNACQWDNL-VULFUBBASA-N 468.351 4.599 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(F)cc1 59101890 XJGNURDGRCTEOQ-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1 102648010 SGTHSTZLBWKEHP-HETMTNPWSA-N 456.336 4.605 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 107585753 CWEGVQPNNUWXOL-ATVHPVEESA-N 462.458 4.510 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(C(=O)O)cc1 408677046 OPUHSJZQOAZBRP-RDRPBHBLSA-N 487.556 4.727 50 40 JJGB COc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)ccc1I 408748089 YGNMMJRTQZATIO-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 408829278 OZNRTOQXZVTRJN-SZXQPVLSSA-N 463.603 4.742 50 40 JJGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408948444 GFRALTYCDMUYAJ-WQRHYEAKSA-N 452.352 4.983 50 40 JJGB COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(C)C 408978802 KHWAVJRHMFBRFA-FOBKEZNCSA-N 473.573 4.742 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)cc1Cl 409262082 DVBNFQDORKZMFW-CIAFOILYSA-N 459.933 4.889 50 40 JJGB COc1ccc(C(=O)O[C@@H](c2cc3c(cc2Br)OCO3)[C@@H](C)Br)cc1 1628456 FNMUELKAMVRZFZ-BMLIUANNSA-N 472.129 4.868 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccc(C)cc2)cc1 1834903 QAOHIUDBIGLJRK-JVWAILMASA-N 471.586 4.802 50 40 JJGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N 2239258 ZIAYGQVUWRKZKY-KRWDZBQOSA-N 456.365 4.677 50 40 JJGB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13563709 WMVYBBWDFRHJPT-KWTNDFLNSA-N 478.505 4.851 50 40 JJGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333201 JQTSRGKWNPVKGJ-NKFKGCMQSA-N 491.551 4.854 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1O 59474981 VVXJJLKOVBJKFX-NVNXTCNLSA-N 462.287 4.558 50 40 JJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1 408857667 VPRBCZNGVKJETA-QRQIAZFYSA-N 453.498 4.680 50 40 JJGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12 409024686 NIGPVFYNNZRDSP-JVWAILMASA-N 493.972 4.544 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 409265400 UTCJFDGPQOPOLT-STZFKDTASA-N 455.514 4.875 50 40 JJGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC 409325138 XJMOGOZYJYPZGM-OYKKKHCWSA-N 479.371 4.808 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9014921 MVPDLKDVDKEOBL-HSZRJFAPSA-N 469.566 4.976 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 13381937 HVKHXIDPARSDRE-NDZAJKAJSA-N 479.536 4.933 50 40 JJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(C)c1 20194380 AJYHAJSWALCWGI-FSJBWODESA-N 456.296 4.927 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913752 WNPYCJAJSGPONI-LGJNPRDNSA-N 473.360 4.888 50 40 JJGB O=C(Nc1cccc2ccccc12)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 97961168 WESVCUYLESNFSZ-UHFFFAOYSA-N 451.375 4.560 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 107796613 JEMCBICVBZXQDF-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I 408798898 XENXIXQKEYFYSO-NTUHNPAUSA-N 452.679 4.807 50 40 JJGB Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)ccc1Br 409315908 XHCNUPHESJOVJO-INIZCTEOSA-N 474.355 4.607 50 40 JJGB N#CC1=C(N)Oc2c(c(=O)[nH]c3nc(Nc4ccccc4)sc23)[C@@H]1c1ccc(Br)cc1 664185 SVLKARLCJUCLSL-OAHLLOKOSA-N 492.358 4.709 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1889030 IDOYFWYOZMMFSU-AZJLSSPBSA-N 481.936 4.815 50 40 JJGB CCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 2679525 OYAVCCXDCJRCLV-HZPDHXFCSA-N 455.146 4.702 50 40 JJGB C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1ccc(F)cc1 2741851 AZMLUNFHHQPNPP-GBYSFBBLSA-N 474.565 4.649 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc([N+](=O)[O-])cc1 9272190 XHQNIFHRZMAWPZ-STZFKDTASA-N 473.605 4.680 50 40 JJGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc(Cl)c1 12401432 VXEOVZUPIQBAHJ-BRJLIKDPSA-N 460.962 4.896 50 40 JJGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 16713702 KKVWBJRVBVPBIF-RNEGFDSTSA-N 468.557 4.615 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1C 58913101 SRAZKRPYUUQJBF-DHRITJCHSA-N 467.367 4.562 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 108231496 HKSGWGSBTWJSSE-LGJNPRDNSA-N 484.325 4.890 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 245237289 IJAZJUMLNZEFSA-YIAOZYLFSA-N 497.661 4.814 50 40 JJGB O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408601808 BTBOWOLZFFYKPQ-KRWDZBQOSA-N 453.901 4.554 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 408795062 JZUJPJSYFDLSAL-XNTDXEJSSA-N 450.834 4.630 50 40 JJGB Cn1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c2ccccc21 408812204 CQXRWKFQXGVHGP-SXMPYHCESA-N 493.567 4.647 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c(C)c1 408904813 PAKHJZKXITWCRT-ZMFRSBBQSA-N 474.473 4.607 50 40 JJGB Cc1cccc(CN(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 408969696 SCTNBPHTTPDHRD-VULFUBBASA-N 490.412 4.643 50 40 JJGB Cc1c(Cl)ccc2c1NC(=O)[C@]21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 1426859 WUUAMYOZBUEGAH-SANMLTNESA-N 458.949 4.696 50 40 JJGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1Br 3088134 DRUBLKDISLRVEW-STPJHCLOSA-N 453.336 4.946 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 3400057 OOEOAIKNMAKOQL-CAPFRKAQSA-N 484.581 4.884 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1 16283787 TWMSPWALEPKULY-BRJLIKDPSA-N 470.982 4.577 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCC2)=C(C#N)[C@H]1c1cccs1 20348248 KHLDFQURATUGCE-QFIPXVFZSA-N 493.654 4.936 50 40 JJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28213573 ALXXBDXPXPVPIP-MZJWZYIUSA-N 465.550 4.535 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1/CCCc2ccccc21 33045674 HOZKBRSZMNBMNE-VYIQYICTSA-N 453.571 4.883 50 40 JJGB N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)c1nnc(N2CCOCC2)n1-c1ccccc1 33386758 MPELZBRZMXBFFT-JZJYNLBNSA-N 479.569 4.544 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1 33705007 OAFSWUPGMVXUMT-STBIYBPSSA-N 467.525 4.938 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 40530349 CSVQZAHIPDMREL-HSZRJFAPSA-N 462.889 4.795 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1O 100894204 BIMDMIRSOGXODY-QQXSKIMKSA-N 477.977 4.926 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)NCCc1ccccc1 408792669 BICYGKONQCRSSW-RCCKNPSSSA-N 459.933 4.623 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408868696 POVDXCRDHNTDNG-MTDXEUNCSA-N 493.629 4.690 50 40 JJGB CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC 408905422 YLDYCFISIUVWST-JJFYIABZSA-N 476.283 4.665 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)cc2)cc1 408920977 AGZGRFZPAKCJIA-UHFFFAOYSA-N 485.650 4.907 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1F 408941070 PKOCRZVGTLGBLH-OCSSWDANSA-N 484.531 4.901 50 40 JJGB COc1cc(C)c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1C(C)C 409018277 UJGHSUDTTYMYKZ-RYIRVSIUSA-N 488.028 4.840 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1F 409093717 BHGBKAUIXSPNJQ-RUZDIDTESA-N 460.461 4.750 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 409138727 HDNWFHQXSYSJFZ-SZXQPVLSSA-N 463.603 4.700 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1 409378554 QCYLISMFORCXHU-SFQUDFHCSA-N 477.904 4.617 50 40 JJGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)C1 2367290 JFBBJPXITIABBU-ALPATAGASA-N 464.997 4.679 50 40 JJGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 38268149 YEXSDQJWSVTYMB-QIYRVRQFSA-N 458.606 4.890 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1 59101778 PDQINLAMWVOUII-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2cccc(C)c2)cc1 408775332 GNMYMYGCJBOPEX-VULFUBBASA-N 490.412 4.956 50 40 JJGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCOCC1 408783582 OVQHWHREBHVIEM-SDXDJHTJSA-N 451.979 4.853 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc2c(c1)OCO2 408811379 VJGKDUKEMJKTQF-LIYCWVDISA-N 462.546 4.995 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408888317 YYQOPROGDNBTJE-FSJBWODESA-N 470.825 4.721 50 40 JJGB CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1I 408904046 CVRHRIHYGJBETM-AUWJEWJLSA-N 468.298 4.698 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409312690 GPXJEQUQQFTNQI-GOSISDBHSA-N 475.492 4.815 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 2795228 ZPJAVKDHGXMKAS-MZJWZYIUSA-N 456.901 4.986 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8863718 PKAWIQWQFWXKIK-IPPBACCNSA-N 499.910 4.917 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1C 9305861 XRTIGHWLUJBGOD-OGLMXYFKSA-N 491.544 4.972 50 40 JJGB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1cc(Cl)ccc1Cl 18097568 ZVGCVWCOOURLKC-HXUWFJFHSA-N 490.774 4.969 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1ccco1 20029122 IVQQBUVNAUSUGJ-QHCPKHFHSA-N 463.559 4.694 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1 35224315 FGNOVYZXBNHLJO-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB CNC(=O)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102921163 OAZZQHPHLVKLNG-UHFFFAOYSA-O 479.565 4.789 50 40 JJGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408612896 XIHLRRICDKZODM-ZCUUTASWSA-N 456.757 4.591 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 408718615 JLMUYJXWSDSLLO-YSMPRRRNSA-N 481.892 4.559 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1 408765664 XBYLSOREMRANFC-AQTBWJFISA-N 452.919 4.962 50 40 JJGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cn(C)c2ccccc12 408808071 CZPIIUNNHUWCDO-BIAHDLMSSA-N 466.585 4.601 50 40 JJGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408889609 HSFJHQJHLVZTGY-XLUWADSXSA-N 485.077 4.938 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccccc1 409080649 NNCKQLVTGJSSKY-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])c1 409219586 OJKVJQXQTRBLAA-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1Cl 409231202 ISJOLYIXEXMHKV-LGJNPRDNSA-N 485.009 4.967 50 40 JJGB COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CCCC3=O)sc2c1CCCC2 1060816 PQSCDHLTIYWFCV-OAQYLSRUSA-N 459.571 4.718 50 40 JJGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Br)cc1 3174627 DYXVNXCTHBMRKO-KIHMUJGBSA-N 470.161 4.528 50 40 JJGB COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC 9693380 FTYVPTGFQRUJKL-INIZCTEOSA-N 485.993 4.894 50 40 JJGB Cc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(C)o1 12623300 JAWVPIMWQFJYCT-SSDVNMTOSA-N 461.303 4.672 50 40 JJGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Br)cc1Br 16158199 TVEYXNNVPQWGKG-CIAFOILYSA-N 486.229 4.994 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240487 UMLOAEAABBEXEG-BGABXYSRSA-N 454.618 4.743 50 40 JJGB C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 20352685 PVMRHPPZBIRVQP-TXMABLNQSA-N 450.926 4.603 50 40 JJGB COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC(C)=O 31904636 SNALALZYHJYQMB-IUXPMGMMSA-N 474.494 4.923 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 59101649 BWQXPHVVBMZWAN-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 107868963 WKEHLZNAYKPTPA-MUXKCCDJSA-N 483.927 4.968 50 40 JJGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1 408607586 NGKHMSLWZHYAIC-SFHVURJKSA-N 497.954 4.953 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCc1ccccc1Cl 408610542 NXROOTDLVOBFCB-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F 408611293 QNDAGCWOFVMULD-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(I)c1OCC 408752184 GFCMSSKPLYXGIW-XNTDXEJSSA-N 492.313 4.643 50 40 JJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(OCC(=O)O)c(Cl)c2)c1 408846485 NPLXSLWQXPKICP-UHFFFAOYSA-N 460.317 4.628 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(F)cc1 408852690 HPWLHSNVQAACLE-LGJNPRDNSA-N 472.314 4.725 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 408888457 ZZFLVNJMJFYEIJ-CPNJWEJPSA-N 487.468 4.767 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(F)cc1 408914004 RZLZIRGKGWPSEJ-MZJWZYIUSA-N 456.901 4.986 50 40 JJGB COc1cc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc(OC)c1OC 985176 ZUMDCKSCMQTHPD-MRXNPFEDSA-N 473.316 4.627 50 40 JJGB C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1 2080251 AXAXXQZQHIVCPR-SCELWYEFSA-N 452.352 4.979 50 40 JJGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCc1ccccc1 2412657 DEGKAUJVPCXEBU-XMMPIXPASA-N 466.493 4.989 50 40 JJGB COc1cc(OC)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 8398551 BIKFOBXUNBVPSQ-MFKUBSTISA-N 453.336 4.749 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 33661925 QAUSMVFBSMMBNF-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 36035143 MBXVGPASEIGECZ-TWKHWXDSSA-N 464.569 4.632 50 40 JJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(I)c1 59435259 WDQQSOGARGYDQP-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1 408760638 CBPFEWUKGRRSDQ-LDADJPATSA-N 452.919 4.962 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408776483 OQKGLLCCCRMDGY-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(Cl)c2)cc1 408782092 VQNDQXHSARNJCR-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408817857 YOIFFNIVTYIQHR-JYRVWZFOSA-N 478.115 4.908 50 40 JJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408956601 XTTJWHCODUFDHB-YVLHZVERSA-N 468.351 4.604 50 40 JJGB Cc1cc(Br)c(NCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(Br)c1 1950291 FTACLBXSGPTKBT-YSURURNPSA-N 491.183 4.941 50 40 JJGB COc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccccc2Br)c1 3089624 ZJRROXRZKXJVDT-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(Br)c1 9311309 BTRKJQQPUNFZNC-AWNIVKPZSA-N 494.139 4.529 50 40 JJGB C/C(CC(=O)Nc1ccc(Br)cc1C)=N\NC(=O)c1cc2ccccc2cc1O 12629119 VLOHPUSTLOKEBC-AFUMVMLFSA-N 454.324 4.751 50 40 JJGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1sc2ccccc2c1Cl 16158273 AFBNGCIRXPARTB-FBCYGCLPSA-N 454.689 4.695 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1 59960219 OXYKIMJSVBGXCA-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3cccc(F)c3)C(C#N)=C(N)O2)S1(=O)=O 67225343 DCIMXNCUBGLZAC-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB CCCCCOC(=O)c1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1 113482107 DCVVCYGBNOPRDJ-QFIPXVFZSA-N 488.569 4.770 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(Br)cn34)c2C)cc1 408786785 WCLXMHSBEIFAAF-LGJNPRDNSA-N 494.393 4.975 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC(=O)OC 408791934 FLKWLAXYSSPXPG-PXLXIMEGSA-N 486.524 4.762 50 40 JJGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1Cl 409260183 MDYVHEAPVSWXAZ-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC 6578066 PCNJDSLBOCZXGV-KRWDZBQOSA-N 455.967 4.885 50 40 JJGB N#C/C(=C\n1cc(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1nn(CCO)c(N)c1C#N 8435165 HEHGUVJJPYPWAB-SAPNQHFASA-N 477.355 4.703 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 9019661 YKZGPQLVWAIGRS-VULFUBBASA-N 464.978 4.989 50 40 JJGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)c1 9291525 XAERJMQYKFSBSF-HAVVHWLPSA-N 478.552 4.678 50 40 JJGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccc(Cl)cc1 16712144 CAKIDONJQSYLIL-QRQIAZFYSA-N 476.989 4.980 50 40 JJGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C)cc2)cc1 19956723 LOHPNCOHRGCREO-MFKUBSTISA-N 488.034 4.716 50 40 JJGB C/C(=N\NC(=O)COc1c(C)cccc1C)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 33633225 QEVFKYLTYNVTMW-AFUMVMLFSA-N 456.757 4.531 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408607180 CHWHRKUPWGRVSO-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OS(=O)(=O)c1ccc(C)cc1 408754821 OKHBWLZALOIXEA-HKWRFOASSA-N 460.511 4.511 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Cl)c1 408761600 GVWIIXULZPZDQF-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408981388 ATYXGNIEUFSIFU-DHDCSXOGSA-N 459.727 4.977 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC(=O)OC 409036519 RPUVPSURDAQQDW-RHANQZHGSA-N 483.524 4.616 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409263883 JHIVNUSBHMVPGT-LDADJPATSA-N 461.905 4.917 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1 409267527 NECMSVOTFXSHKP-WWINXXQNSA-N 461.949 4.731 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nnc2-c2ccc(C)cc2)cc1 1240370 BUTOTLVYBHVXMI-KOEQRZSOSA-N 477.615 4.945 50 40 JJGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl 2311195 UWXHJAPOSXQADD-LEWJYISDSA-N 483.977 4.989 50 40 JJGB CCn1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nnc1-c1ccc(C)cc1 2353595 LETSWLGQMDGFEH-VAQLEAJTSA-N 484.423 4.904 50 40 JJGB C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c(cccc31)[C@](C)(c1ccccc1)CC2(C)C 9234611 IUVBMXOKIJIXAJ-UIRLRLCQSA-N 479.580 4.736 50 40 JJGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1 9381794 GISPUIDGXOPWMZ-OAHLLOKOSA-N 479.027 4.660 50 40 JJGB COC(=O)c1cc(-c2ccc(-c3ccc(/C(C)=N\NC(N)=O)s3)s2)nc2ccccc12 13764398 WPUVRKPKHSHBDO-ROTLSHHCSA-N 450.545 4.871 50 40 JJGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19948599 CDWFTZMGFMIKTM-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc(Cl)c(O)c(Cl)c2)ccc1OC(=O)c1ccccc1 20228554 DSCOQVPAKYUKOW-BRJLIKDPSA-N 459.285 4.691 50 40 JJGB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32 22564431 RLIDMCYUAMGURR-WVDZOPJMSA-N 457.574 4.848 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1 59233020 IRVHUELDBRRVJG-CPNJWEJPSA-N 487.468 4.767 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3cc(Cl)c(OCc4ccccc4)c(OC)c3)CC2=O)cc1 408608873 QDBDDUWOULGPDS-HXUWFJFHSA-N 493.991 4.986 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OS(=O)(=O)c1ccc(C)cc1 408891781 VHOZCWIBHPMTKH-DHRITJCHSA-N 493.368 4.842 50 40 JJGB COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 409221582 SHXGERIVJLCNCP-QPEQYQDCSA-N 483.240 4.565 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1 409223093 GPJSPOJYTZFDFY-UYRXBGFRSA-N 489.915 4.690 50 40 JJGB N#C/C(=C\C1=C(Br)[C@H](O)[C@H](Br)C=C1Br)c1nc2ccccc2[nH]1 409337270 ZBKBWLMMWRZCMZ-DJBPLVEDSA-N 499.988 4.536 50 40 JJGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc2ccccc12 3112967 CVOMYAGXTGMXHP-FOKLQQMPSA-N 492.167 4.903 50 40 JJGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1 6163269 LIUDCKYBISJYIQ-NBVRZTHBSA-N 456.926 4.546 50 40 JJGB O=C(N/N=C/c1cccc2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1 8780769 LOKOIXASKYXFJK-WGOQTCKBSA-N 450.380 4.965 50 40 JJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)o2)ccc1Cl 8811009 SNBCBWBEYBVUEA-DHRITJCHSA-N 456.882 4.558 50 40 JJGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12 9322152 QWGRJHGTVOSTOG-HAHDFKILSA-N 465.509 4.711 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 13239502 DJNMJHYPUWHYBU-DHRITJCHSA-N 479.949 4.889 50 40 JJGB COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1 13297900 HMCUOAILBSBKOT-NRFANRHFSA-N 469.950 4.743 50 40 JJGB N#C/C(C(N)=O)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 13806222 XIAIROJPQBTZAC-TWQQJCIXSA-N 497.201 4.667 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 16157501 NLGXOUOBQRTHQY-MFKUBSTISA-N 472.950 4.579 50 40 JJGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C/c2ccccc2)cc1 20059494 IYCUJFCKMPHIDE-ZTKZIYFRSA-N 499.592 4.855 50 40 JJGB CC1CCN(C(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)CC1 100868646 ARUNAWUFAFVWRC-IUIKQTSFSA-N 486.086 4.931 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OC 408764074 VYLCLBSKSQRKEI-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OS(=O)(=O)c2ccc(C)cc2)c1 408898529 WOBSMJLMHAGNAH-QGOAFFKASA-N 482.945 4.970 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 409006520 OKDKNTOLHBOVGK-CVKSISIWSA-N 460.361 4.561 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(Br)cc1 1209346 HGRKUYCFTMKOJK-MZJWZYIUSA-N 496.361 4.548 50 40 JJGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)NC1=O 2360378 UURIDEGFMHPWLW-IBGZPJMESA-N 452.879 4.808 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 8452169 ZQGPUVUFHXILJF-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O 38534830 BUMSZCCRTSOLQY-BHGWPJFGSA-N 460.273 4.950 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)O 59336249 LBYVCCIJBCNTRY-WZUFQYTHSA-N 455.681 4.664 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408616711 ZYSOYHWFJOFFMB-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCC 408724541 FNCGCRQQSZDITP-GDNBJRDFSA-N 462.287 4.634 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408727441 SHGAJNYRGCQUID-LUOAPIJWSA-N 472.328 4.863 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1 408754924 LUZAWWSMHLWGJH-LFIBNONCSA-N 483.889 4.562 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 408766302 UDTGAUVQCNNOQB-ZMOGYAJESA-N 463.342 4.833 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC 408785292 WBOKEOXNWWNQRA-HKWRFOASSA-N 496.405 4.668 50 40 JJGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc(I)cc1 409372918 QGXHDSNTWDGGBO-LFYBBSHMSA-N 454.061 4.847 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 2077366 NNMGMCUYZKLTTA-ZMOGYAJESA-N 479.341 4.534 50 40 JJGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2340819 HUGHCEGIPZTNPJ-FYAMCCBRSA-N 471.557 4.611 50 40 JJGB CCOc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1O 2341078 IZHJMRYTCAXMGL-LSHDLFTRSA-N 495.051 4.831 50 40 JJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1 2727086 HMRFKVMCCUOXOY-NDZAJKAJSA-N 492.491 4.645 50 40 JJGB COc1cc(/C=C(\C#N)c2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)cs2)ccc1O 9327423 YYQJMMFTXQOYAI-AWNIVKPZSA-N 465.516 4.998 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)cc1 10315764 VADWNRWCQOATGT-UXHLAJHPSA-N 450.542 4.961 50 40 JJGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c2ccccc21 13567692 WNBRTSYIISJEAT-MHZLTWQESA-N 470.960 4.640 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N1 25337042 IYUQLNBTYOZZPP-QFIPXVFZSA-N 451.548 4.527 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(Cl)cc1 32519999 DSPGABSZKOPIHD-LGJNPRDNSA-N 495.944 4.951 50 40 JJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32815404 ASAUJGYPRMQJCI-CVKSISIWSA-N 459.893 4.794 50 40 JJGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3)c3ccccc32)cc1 46085126 MOSDOBBDNCUPKU-IKPAITLHSA-N 471.557 4.702 50 40 JJGB N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 59336206 OBIAOGUXPYCZNE-POHAHGRESA-N 459.070 4.849 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 408609715 LEACJVXEHNOVQY-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408740674 DCPIQEIKZHDSEW-WJDWOHSUSA-N 460.402 4.850 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408778515 GPWHXGNOGRWAMD-MFOYZWKCSA-N 488.338 4.767 50 40 JJGB N#C/C(C(=O)Nc1ccc(F)cc1)=C(/C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408873519 VFIOJSAVGIUIHB-QURGRASLSA-N 474.879 4.979 50 40 JJGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 409041876 WBYUZPRRPOFJKB-OBGWFSINSA-N 499.567 4.673 50 40 JJGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl 2311197 UWXHJAPOSXQADD-NHCUHLMSSA-N 483.977 4.989 50 40 JJGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])cc1 3173610 OYYYURXCUXEIGQ-UHFFFAOYSA-N 464.279 4.724 50 40 JJGB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1 8683412 ZYIGZKMAPGPBIG-HAVVHWLPSA-N 480.572 4.638 50 40 JJGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 16741516 NHSYLQHVQDDMHH-IWIPYMOSSA-N 466.541 4.939 50 40 JJGB O=C(CCCSCCCC(=O)N/N=C\C=C\c1ccccc1)N/N=C\C=C/c1ccccc1 17284825 LIPSAVBKPCSNKY-OOLOEAFYSA-N 462.619 4.911 50 40 JJGB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1 26779659 ZYIGZKMAPGPBIG-QJOMJCCJSA-N 480.572 4.638 50 40 JJGB CCN(CC)c1ccc(/C=N\NC(=O)COc2ccc(Br)c3ccccc23)cc1 30802489 DWUBBCSIIOIESK-MYYYXRDXSA-N 454.368 4.978 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 59101896 ANFZJPSDEPDTEK-MZJWZYIUSA-N 469.900 4.546 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 408787592 CJBBDBVFQXOLJQ-NTUHNPAUSA-N 479.714 4.510 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408793037 CZLSDNVESKRVED-RIYZIHGNSA-N 463.715 4.590 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(=O)OC 408798701 WQCJTWUDCYJASK-RIYZIHGNSA-N 493.741 4.599 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)c(OC)c1 408873767 VMFCQYJENFLBAC-YDZHTSKRSA-N 472.541 4.823 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1cccc(Cl)c1 408898564 XAAHMAJRUUEMPF-YDZHTSKRSA-N 493.766 4.634 50 40 JJGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccc2ccccc2c1 409080904 ODXODCVSXUWDFG-GRSHGNNSSA-N 498.320 4.814 50 40 JJGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1)S(C)(=O)=O 409111720 CDWUFZIUXCHARJ-WPWMEQJKSA-N 463.603 4.849 50 40 JJGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409134589 SHNUEJBVDLPTEO-CQSZACIVSA-N 476.421 4.838 50 40 JJGB COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CCCC3=O)sc2c1CCCC2 2188774 JEDZKRDYNYFCLG-IBGZPJMESA-N 465.600 4.780 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1 2199431 UTQLSUXTFOHSRX-LSHDLFTRSA-N 495.051 4.743 50 40 JJGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(O)c(O)c1 2699703 VLFWJKCEJUAMNW-DHRITJCHSA-N 485.997 4.757 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nc2ccccc2c1=O 2705694 LQLFTTMKDAADEE-VULFUBBASA-N 462.962 4.590 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 3116482 BGDPLXXMTKVQGX-DHRITJCHSA-N 487.737 4.851 50 40 JJGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1OCc1cccc(Br)c1 3167290 ZBQGSVOLPPHAMC-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 9159860 HHLUNPAABMADKV-CJLVFECKSA-N 464.525 4.581 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccccc3F)CSC2=C1C#N 9693459 USTLXQGBOZCEPT-AWEZNQCLSA-N 474.355 4.816 50 40 JJGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(N2CCc3ccccc3C2)cc1 58281853 VRRJDNIBDNPSQB-UHFFFAOYSA-N 456.424 4.933 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccc(Br)cc2)cc1 59499237 PTKVYORGZDBJKZ-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 408610637 OQPSYEKPJQBVFH-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] 408882268 QOILLLSWFRMKIP-WGOQTCKBSA-N 489.509 4.588 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 409130347 LMACTRTWJGZQQX-JOCHJYFZSA-N 481.346 4.851 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 409251674 BAIIPAOFVOUFII-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c(C)c1 409256537 LWZIUBSOHIXYQI-NDENLUEZSA-N 470.485 4.775 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1Cl 409258021 SRWMDRKVQKAHTL-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1 409270708 HIPMBZUJKSSANL-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 409369048 ZEQYNDWKHOKCPG-VULFUBBASA-N 464.319 4.672 50 40 JJGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 1434447 JTCICTBAHPWSCU-AFUMVMLFSA-N 469.335 4.566 50 40 JJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 1765731 DAMVZUDNEIADNS-PTGBLXJZSA-N 480.572 4.638 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1I 2176469 WILNTHOEHLWOFN-RHKYMZEHSA-N 496.348 4.756 50 40 JJGB O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 3177669 FZMIDGFBSKQYFP-VWLOTQADSA-N 465.486 4.817 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 9259064 SLLMXGVMYGXNBW-AWQFTUOYSA-N 452.102 4.730 50 40 JJGB N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 12276857 FENXBVKTNULLKD-HSZRJFAPSA-N 475.614 4.786 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 20232363 XTAFQMBKMBBPSN-ZXVVBBHZSA-N 479.602 4.596 50 40 JJGB CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 31902260 YVBPOIGLTALJMP-OYKKKHCWSA-N 457.987 4.650 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59197844 KDHYOYQMBATKOR-SSDVNMTOSA-N 490.335 4.770 50 40 JJGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccc(Cl)cc5)cc4)[C@@H]13)[C@H]2Br 408690979 XNVBLEXJTAQRJA-KSCVBYKOSA-N 462.727 4.642 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1OC 408727373 WDMMZNVULYFQEX-OGLMXYFKSA-N 454.530 4.937 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(Cl)cc2)cc1 408778626 IZVHLGYTTGVSRN-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2)cc1 408977061 CPZJRXNQQHJRKU-QVGKIPNLSA-N 490.412 4.862 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 409057566 PYMVQMKXEDUPMY-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(I)c1)c1ccccc1 409241532 YDAUDQLUVLSFCR-DKTFCQPKSA-N 497.130 4.544 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 409269697 LUQLCPLGJFYKSI-YKKQWCMESA-N 491.975 4.821 50 40 JJGB COc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 2100068 WALADQCSKJDDDG-AEIQVQRHSA-N 482.378 4.987 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(F)c1 9261876 AFPKJULFDMHACK-XODNFHPESA-N 477.293 4.674 50 40 JJGB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C1=O 9313215 RVOVCZWZOMNMNB-SDXDJHTJSA-N 453.926 4.583 50 40 JJGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 13055150 XGFYGEIZVFMSKG-HSZRJFAPSA-N 498.004 4.980 50 40 JJGB CCC/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 13513610 YCUNTPIYIDZRHI-PTGBLXJZSA-N 472.412 4.657 50 40 JJGB O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)NNC(=O)c1ccccc1 14359659 FRJUSSRHLCIYMP-UHFFFAOYSA-N 466.559 4.617 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1ccccc1Cl 23723773 PQDZJBRBRPGLCU-NCAKCNDRSA-N 481.980 4.968 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1 26123483 FKPAWGVTFXRJHV-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33429436 NUTXHJXKZQRSLG-MUXKCCDJSA-N 499.926 4.668 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1O 59474916 HZUZMRVRCJYYOI-NVNXTCNLSA-N 462.287 4.558 50 40 JJGB Cc1oc2c(c1CC(=O)OC(=O)Cc1c(C)oc3c1C(=O)CC(C)(C)C3)C(=O)CC(C)(C)C2 70671991 PJKMHPDXNVOIEW-UHFFFAOYSA-N 454.519 4.655 50 40 JJGB biogenic CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc21 208455915 XGBUBSMNOYXRDL-DHRITJCHSA-N 456.384 4.918 50 40 JJGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408569738 PTHOYCPRLLAJFB-DHRITJCHSA-N 482.583 4.961 50 40 JJGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408569838 QMWXFOQIJHJPFW-GCMSVZMUSA-N 460.621 4.880 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1 408711688 FZOYOAVVMVRGBE-OEAKJJBVSA-N 458.299 4.997 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 408790769 YLBKOFSZNNJSMK-GZTJUZNOSA-N 486.309 4.556 50 40 JJGB CN(C)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408857092 SBQBAOUIRVRDAW-FBHDLOMBSA-N 465.145 4.788 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC 409239303 PHLMSEUEMYCRNG-UYRXBGFRSA-N 457.368 4.902 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 1875208 OXSVAPMZXXCHLF-AEQNYHIXSA-N 499.552 4.510 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 3560257 PQEKCWVHTUAHNR-OVCLIPMQSA-N 456.745 4.848 50 40 JJGB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC(C)(C)O3 9050664 VUYALLXGVKCVKU-HKWPXORHSA-N 483.609 4.650 50 40 JJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccc(Br)cc2)o1 9203477 YXUMRPUODIRCED-AFUMVMLFSA-N 463.335 4.896 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccccc3)nc3ccccc3c2=O)cc1 16712136 USZDCOZQKRXJSE-ZYWUUAAGSA-N 454.555 4.602 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683470 XMHUPJUVHGLBDJ-VWLOTQADSA-N 484.508 4.699 50 40 JJGB N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 408759380 DCHLSSVRMCPEOZ-SSZFMOIBSA-N 483.889 4.562 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 408783797 RGAZDASZGFUORG-TURZUDJPSA-N 471.582 4.748 50 40 JJGB O=C(N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 408936819 GFXCVKZBRGUJJO-UUYOSTAYSA-N 453.252 4.658 50 40 JJGB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 409020051 YULMPHTWHKKNHB-SXPOYZCRSA-N 470.784 4.707 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409225096 OUPNSKIKBPGMAE-HZHRSRAPSA-N 469.541 4.635 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 409255952 MPTJYOHNIMBFGN-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2357485 CTCHJZVHMVQGIX-YDYXIROLSA-N 473.529 4.899 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 9323068 KHSMUBRIBNVFRW-DHRITJCHSA-N 479.290 4.572 50 40 JJGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C\c1c2ccccc2cc2ccccc12 13548986 VZYFVBRBUBQWTH-YUMHPJSZSA-N 465.538 4.790 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)cc1Br 14407884 OKNWOACKIFJXLH-ZMOGYAJESA-N 469.339 4.766 50 40 JJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(O)c(Br)c1 100195004 IFEWVBBMLPOYKF-JYOAFUTRSA-N 472.140 4.926 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCc1ccc(F)cc1 408607165 CBSQFYGRQDMLPV-KBVAKVRCSA-N 491.563 4.693 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 408744192 DIXCSODBMNFKCX-ODLFYWEKSA-N 458.470 4.557 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(C)c2)cc1 408787066 QJERIJPRFQNZOH-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCC(=O)Nc1ccccc1 408967389 QHSCLNXFHDMHRY-IPPBACCNSA-N 494.910 4.531 50 40 JJGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 409000709 ZQDJLQQHHRCLHW-OGLMXYFKSA-N 483.480 4.524 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 409136069 WNUIHZAALRZOGY-JJIBRWJFSA-N 476.023 4.754 50 40 JJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)c(O)c(Br)c1 3024074 UHKJHLLESUEQPU-CGOBSMCZSA-N 496.970 4.753 50 40 JJGB N#CC1=C(n2cccc2)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12377298 WIKPZQLXNDZFGO-HHHXNRCGSA-N 450.473 4.737 50 40 JJGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1C 35198281 NJVXFDKGPJFEHX-WYMPLXKRSA-N 463.471 4.928 50 40 JJGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)c1C 96669483 WDGTWLDAVRCQLN-XKZIYDEJSA-N 479.540 4.905 50 40 JJGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(C)cc3OC)c3ccccc32)c1 408542362 LFHFYFNJSCMISV-RWPZCVJISA-N 455.514 4.557 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 408864698 YKNUAWRBSRSGHZ-MTDXEUNCSA-N 491.613 4.522 50 40 JJGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12 408948794 GWSMQEBRVGLSLI-QNGOZBTKSA-N 482.515 4.590 50 40 JJGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccc(I)c1 409243969 ZVRUHEOXKQLXRU-CFRMEGHHSA-N 475.305 4.531 50 40 JJGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@H]1C#N 875461 ZZELSQUMGNWWJZ-JXFKEZNVSA-N 497.374 4.758 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2)cc1 2295866 YIIDCRGVDLYACC-PQRBOASESA-N 493.357 4.769 50 40 JJGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2342055 CGJYXLIMDXYXDK-YDYXIROLSA-N 457.530 4.568 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 8812093 NXQFQDMSRKPKTF-DHRITJCHSA-N 457.299 4.940 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1OC 9289517 BEGFFMFXAAGRLY-MZJWZYIUSA-N 487.339 4.923 50 40 JJGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 19948595 WTZKUUNHWUHGBW-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1 32520000 SIWZSXNOBUEBJX-LGJNPRDNSA-N 494.960 4.687 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408862357 IUGJKLUIWORTCJ-ADTIMHKYSA-N 471.582 4.790 50 40 JJGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OCC(=O)O)c2)cc(C(C)(C)C)c1O 408922660 FUNMJFYGVOKJTK-JFLMPSFJSA-N 454.567 4.534 50 40 JJGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 409118671 PKWILAACYSDHKX-JVWAILMASA-N 465.550 4.784 50 40 JJGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c1 409273641 ZRCXOXOZUWCNHC-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB O=C(COc1ccccc1Cl)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409375709 OFNYPVFKQNOEIK-PPDIBHTLSA-N 490.318 4.679 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccncc2)cc1 1479394 YDNKOWNARALSLC-VULFUBBASA-N 462.966 4.534 50 40 JJGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 3145762 CYBNUQHCKOTDNJ-OCSSWDANSA-N 471.944 4.998 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccc(C)cc2)cc1 9045707 XSWFAFUYDHUWMW-MUFRIFMGSA-N 496.596 4.975 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 16216782 JQXDGBLJSNDECV-STZFKDTASA-N 466.497 4.830 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OC(C)C 16688290 ACMBBUIIADBWIL-LGJNPRDNSA-N 486.366 4.712 50 40 JJGB CC/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 16712245 SVGPIELHJNNHEC-MEFGMAGPSA-N 492.992 4.711 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2C)ccc1OCc1ccccc1C#N 23410754 GGFKKPHZIOEXFG-CGKHLXHRSA-N 457.530 4.762 50 40 JJGB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl 408605142 KRRKSIVLTNDVID-HXUWFJFHSA-N 465.966 4.762 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccccc1 408980839 SXRNOGSZMALSCI-PVPASAESSA-N 450.514 4.561 50 40 JJGB Cc1cc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc(C)c1Cl 989536 HOVCDJPYYBTSOG-KPSZGOFPSA-N 464.541 4.604 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1784535 QJVCQIPIPBBRHU-IPPBACCNSA-N 482.565 4.827 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 2078185 KNSHBIYHEADHHC-DHRITJCHSA-N 495.289 4.794 50 40 JJGB Cn1ncc2c(SCC(=O)N(/N=C/c3ccccc3)c3cccc(C(F)(F)F)c3)ncnc21 11684196 FXDWXKLLHHGYKJ-VPUKRXIYSA-N 470.480 4.542 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1cccs1 20028857 CPNHCBXEHSOHSW-QFIPXVFZSA-N 465.600 4.854 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC)c(OCC)c2)cc1 20197372 HISZFOBOQVGJLO-OEAKJJBVSA-N 496.345 4.641 50 40 JJGB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/NP(=O)(c2ccccc2)c2ccccc2)cc1 53355330 COTXWMMYOZPNQU-NHFJDJAPSA-N 489.537 4.648 50 40 JJGB N#C/C(=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 59087132 CRWBQDNKMFELMG-JENJNIGESA-N 463.965 4.966 50 40 JJGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3\C(=O)N(CCC(C)C)c4ccccc43)cc12 105482145 BSNJMCSQFSNPJU-VYIQYICTSA-N 471.586 4.922 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 107682073 QMBMITPCLMOWCQ-YSURURNPSA-N 463.273 4.636 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1 408611185 QCQDIPXHAQQAQG-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OCC 408763187 OCDUESKVCIURAU-SRZZPIQSSA-N 472.710 4.506 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 408785783 ZHLLURIVJZCRID-CVKSISIWSA-N 469.994 4.611 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccccc1C(=O)O 408886138 DQYASQBDKGFZGG-SFQUDFHCSA-N 491.297 4.912 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2)cc1 408980717 SPDISMRHEDOBMC-RPUKTSEFSA-N 463.603 4.678 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)Cc2ccccc2F)cc1 409007645 YPEWVDHWSJAMCA-STBIYBPSSA-N 495.620 4.773 50 40 JJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)cc1 409014757 YJYHWDJZUAQDTK-WGOQTCKBSA-N 454.523 4.655 50 40 JJGB C[C@@H](C(=O)N/N=C/c1c(F)cccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027045 SONKZPJMVLVROJ-WBILBPDKSA-N 489.956 4.576 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 409137965 ZZSBWWKBUNMPQQ-QFIPXVFZSA-N 467.928 4.797 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1Br 409204446 HOPBDVYEEBECBY-MMOHFDRGSA-N 473.330 4.657 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409233028 JOUNFRVQYZYFST-NTFVMDSBSA-N 477.492 4.743 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)c(C)c1 409268525 VAQRIHGBTIXTJD-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OC 409310468 VDWPCZQIWQOUPI-DICXZTSXSA-N 481.936 4.529 50 40 JJGB Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Br 2785406 MXLFGMHIFCMGDO-NRFANRHFSA-N 465.351 4.895 50 40 JJGB Cc1noc(C)c1CCC(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 15331803 NHMQNUQWZIIVDX-CCVNUDIWSA-N 473.451 4.853 50 40 JJGB C[C@H]1CCC[C@@H](C)N1CCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 16044567 QRGXAXRGDSVFPA-HDICACEKSA-N 464.997 4.969 50 40 JJGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 20059604 NGYOTTJAVMNTCL-DHRITJCHSA-N 496.803 4.992 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OC 33379327 IZIXPQHAMCQRES-UFFVCSGVSA-N 478.324 4.743 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C#N 59427760 WXILIMPGIJSDRY-NSKAYECMSA-N 473.316 4.504 50 40 JJGB O=C(N/N=C1/CC(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 102929357 PMCBMQPXEJHESN-PLRJNAJWSA-N 488.352 4.515 50 40 JJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2NC(=O)CN(CCCl)CCCl 118929001 IDOXMVAUYAOGFZ-OKTORKBISA-N 471.513 4.575 50 40 JJGB COc1cc(I)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408735244 OWRDARVMGAOYKG-WUXMJOGZSA-N 468.678 4.507 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1O 408767688 ZZTUNOJHPHSCFC-OQLLNIDSSA-N 470.266 4.704 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccccc1 408853178 ZFSCURNHALDHOS-AFUMVMLFSA-N 454.324 4.586 50 40 JJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1 409232204 OVVULJSGGYMYSV-ZMFRSBBQSA-N 459.290 4.999 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 654751 RXUIOUUWWLAYKE-OAQYLSRUSA-N 451.866 4.642 50 40 JJGB O=C(C(Br)Br)[C@@H](Br)[C@H](Br)c1ccccc1 1675762 UUUQKIQSKJSFCW-SFYZADRCSA-N 463.789 4.571 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)nc12 2400610 HCRWXXNMNMJBRY-XSFVSMFZSA-N 477.929 4.787 50 40 JJGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408567306 CWAPVRXKQOOSMU-DHRITJCHSA-N 482.583 4.961 50 40 JJGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 408839288 QDVGEHMLYXYKCO-SSDVNMTOSA-N 491.139 4.821 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408909174 GQBCWFFUBQUZMD-OJANRJRPSA-N 486.547 4.636 50 40 JJGB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc2c(c1)COC2 409129348 GETKLLQTWBIKRS-OLGWDCAHSA-N 491.341 4.862 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(I)c1 409186711 GVOMATCRWADEOE-SRZZPIQSSA-N 488.310 4.676 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409313898 PUOFNGQEUCWDIU-SFHVURJKSA-N 455.967 4.758 50 40 JJGB COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 20249744 CWPNQIXZUSRPEJ-PCLIKHOPSA-N 455.539 4.945 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 28213983 RABFJVNBPQSCFY-UVHMKAGCSA-N 486.355 4.848 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 408792322 ARKQLHKTUNZAIT-YYTOJMEDSA-N 469.541 4.887 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCC(=O)OC 408992200 SJBPWYQNIJJMEH-ODLFYWEKSA-N 468.937 4.873 50 40 JJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)c(O)c1 409011344 GEMLZRHCZFMAKO-YDZHTSKRSA-N 474.298 4.703 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)c1C 409267038 RQWIYQOEXFRIHE-WGARJPEWSA-N 480.362 4.847 50 40 JJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 409376583 ZSPABUHDIKNSEX-OQIQZUQJSA-N 466.965 4.912 50 40 JJGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 2251407 FFCUFYXBMKLGET-TWKHWXDSSA-N 466.585 4.546 50 40 JJGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@@H](C(=O)OC)C(O)=N2)cc1 2311016 CIRWYFGRXWSLRQ-LEWJYISDSA-N 499.976 4.689 50 40 JJGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1 12562707 XGPOKVRYSKMPBK-ZVHZXABRSA-N 462.358 4.948 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(C)cc1 16807949 APMVBMFQKMIAOZ-WPWMEQJKSA-N 476.993 4.924 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 19953274 VIYJZIJFKZKJLY-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl 58913306 JUVHQPLHJGLCRD-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408780043 QWDCFQRYDBSLPR-ZXVVBBHZSA-N 484.021 4.947 50 40 JJGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409362414 VGBYRLFHNUJVBI-CPVAOEHFSA-N 468.513 4.853 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1 9934803 XDMVDMSFWFXWNL-UXOQWUASSA-N 482.334 4.532 50 40 JJGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 12569569 YHLOLCPNXOZUHC-UHFFFAOYSA-N 475.980 4.565 50 40 JJGB N#C/C(=C\c1ccc(I)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151910 IZNSTYRKBCOWEB-UKTHLTGXSA-N 459.312 4.649 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240617 RXCAOJOAQKCEBL-TURZUDJPSA-N 456.546 4.813 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 59437023 DBWYLJOYAIQJRG-AFUMVMLFSA-N 453.882 4.990 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)c(C(=O)OCC)c1C 408547469 XFNZIULYNWEKKI-GZTJUZNOSA-N 485.558 4.536 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1C 408691898 WWOMYBNTWFBFSW-BRJLIKDPSA-N 484.354 4.635 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1 408817793 UNMMANAUBNSITJ-LICLKQGHSA-N 487.350 4.967 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OC 409321226 SAAKOGOFCWFEFW-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 1022838 ASZIITNXZBXTMZ-NRFANRHFSA-N 495.004 4.895 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1CSC1=NCCS1 8437659 UFZYEJRBXDJMCH-FQEVSTJZSA-N 489.626 4.948 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1cccc(C#N)c1 9204702 ZNPOLAYFXVIUHH-LQKURTRISA-N 492.373 4.991 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cccc(Br)c3)o2)cc1Cl 15018735 DSAQDOCUIFBFGR-KSEXSDGBSA-N 461.699 4.913 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(I)cc1 18193315 AZMSOVZAPLMGFK-MOSHPQCFSA-N 481.337 4.922 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 27022714 UTKJOGZWHIRNNW-DTQAZKPQSA-N 472.888 4.694 50 40 JJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 28213565 CUQIHJOGAZODHL-KQBIVOJMSA-N 475.614 4.635 50 40 JJGB O=C(NNc1cc(Br)ccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408607066 MWUDCSCAVZFXRN-GOSISDBHSA-N 480.362 4.524 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(F)cc1 408612371 VCRVUMOJGPIVIQ-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 408736928 DCANRLLDXUSNEC-CVKSISIWSA-N 467.909 4.919 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC(C)=O)c(Br)c1 408761293 DTSDABYUKUNTRJ-NTUHNPAUSA-N 494.139 4.691 50 40 JJGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408796541 PFFPUHLERGQJTD-NTEUORMPSA-N 463.715 4.590 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(SC)cc3)cc2)CC1 408830010 LCUXPJVZUYXGTA-TURZUDJPSA-N 474.630 4.503 50 40 JJGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])ccc2OC)cc1 408886971 NECQDHRIJSFHGH-CPNJWEJPSA-N 487.468 4.685 50 40 JJGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)cc1 408998711 RYWOAMKPXNEAJQ-NDZAJKAJSA-N 493.519 4.931 50 40 JJGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409360337 PDNAHJFYCJQESS-LGJNPRDNSA-N 456.315 4.729 50 40 JJGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2397764 JAWJMFNSQSHDRY-XSFVSMFZSA-N 477.929 4.787 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 2412987 OKFCPBRPVMNOCQ-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB CCCCCCC(=O)N/N=C/c1cc(Br)cc(/C=N/NC(=O)CCCCCC)c1O 8399426 LVZHQHRAVKGAML-FEZYOMQXSA-N 481.435 4.996 50 40 JJGB C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccc(NC(=O)CCC(=O)O)cc1 13322332 BIBOTBGXWKFAGU-KBVAKVRCSA-N 496.523 4.565 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1[N+](=O)[O-] 15018667 VTZWLEQDHMEVFG-RWPZCVJISA-N 480.480 4.782 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 16438210 RCGPJWSDRINZRB-LDADJPATSA-N 487.478 4.651 50 40 JJGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=S)Nc3ccccc3)cc12 16687738 WPOJBLLJASFEIC-UHFFFAOYSA-N 489.553 4.673 50 40 JJGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 16735969 ITKTUJQAZUFERU-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(I)c2)cc1OC 33631512 RYIHVBMNBGZWCG-VTGBELTLSA-N 486.737 4.894 50 40 JJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC 35251327 KDUHDNPHBMSHAA-HKNSOBRKSA-N 469.763 4.818 50 40 JJGB Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58914098 DTKLDWXOSGJUBH-MBTHVWNTSA-N 471.388 4.600 50 40 JJGB CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC 169806512 KWBZWRZCDGHBIQ-UHFFFAOYSA-N 496.758 4.755 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC 408541994 ITVNDAQRZWFAIY-SXGWCWSVSA-N 471.307 4.656 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408608592 HUAOIQUUYUIBHB-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408609567 KFQBTRPGCRFVNM-XODNFHPESA-N 490.774 4.992 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408613312 YWMLMJVIQOWPGW-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408744604 GECLOIPYLYFZOI-ZSOIEALJSA-N 493.741 4.599 50 40 JJGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408745665 ODOINABGFRQGLH-ZROIWOOFSA-N 463.715 4.590 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408778017 OLMQCVZNXVAQHF-MTDXEUNCSA-N 493.629 4.863 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 408779872 MOCRQHLOKIBTKB-NKFKGCMQSA-N 470.573 4.875 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C)c(Cl)c2)cc1 408786449 KENULIFYTRABQP-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(O)c(I)c2)c1 408904594 LYQOUOYHJSWXDN-UHFFFAOYSA-N 493.732 4.822 50 40 JJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)c1 408941734 QJVYEMUIIKYOLR-DHRITJCHSA-N 467.367 4.562 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409023926 FNJKBFWRVFHFMZ-HKSLHJNNSA-N 479.602 4.758 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)c(Br)c1O 409234701 XJYMCYYBANIVFT-GDNBJRDFSA-N 494.183 4.582 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1Cl 409312916 AFORETDBIKITTD-MRXNPFEDSA-N 455.967 4.676 50 40 JJGB Cc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 409318770 YBHPXKKRHRBCCY-QGZVFWFLSA-N 488.382 4.916 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccc(C)cc1 2176231 LEWWKCUMXXFBPL-YZSQISJMSA-N 481.643 4.625 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1C 12542988 HQAWBPZGTHWOHD-WSDLNYQXSA-N 487.556 4.984 50 40 JJGB O=C(NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccccc1Br 29505041 HTPWXHDAJFFCMV-UHFFFAOYSA-N 468.332 4.907 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30822033 MTVPNHNGFBLNMI-CFRMEGHHSA-N 468.397 4.597 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 48572950 JVHALWQWRALVQH-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 50579994 DWMHADGVQNMNDL-CQUHBBLWSA-N 469.936 4.778 50 40 JJGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59332915 XSYZERDRZMYOAC-BWAHOGKJSA-N 471.564 4.817 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cc(C)ccc2C)cc1 408786181 GJFXRKFXXCSELD-CVKSISIWSA-N 469.994 4.611 50 40 JJGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)NC1CCCC1 409190966 CXNOFVOIYYTAKS-AQTBWJFISA-N 472.326 4.836 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1OC(=O)c1ccc(C)cc1 409226089 SQTNWOKSZCGOPH-UHFFFAOYSA-N 497.507 4.832 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409226278 ULAWPMIWUNCDOD-QGOAFFKASA-N 491.931 4.920 50 40 JJGB COc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 409376795 CYUYVYCROURKNZ-AQTBWJFISA-N 461.905 4.912 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc(Br)cc1 409377474 IOXCSNVUNXMYDX-JFLMPSFJSA-N 482.378 4.989 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccc(Br)cc1 661049 PPONYDQKCWMCKR-NRFANRHFSA-N 451.320 4.843 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccccc2C)cc1 20059994 FYCIYOOOHWTBEX-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(C)cc1 35316329 NFEHTMFNIPCKNU-FQEVSTJZSA-N 481.350 4.595 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1 59427402 DZURRLUPDWBDLB-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(O)c(Br)c1 408570837 ZCILWDJZONGBOQ-ZVBGSRNCSA-N 487.828 4.816 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408762354 ATJOFNHRWDQQIX-ZMOGYAJESA-N 492.538 4.666 50 40 JJGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408787461 AJXYSHDTQLOJCZ-MKMNVTDBSA-N 493.741 4.517 50 40 JJGB CC(C)Oc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408874845 DKHIKYOMNBHDMX-YSURURNPSA-N 495.388 4.985 50 40 JJGB COc1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1OC 408876490 PILOATHKVJKQOL-JFLMPSFJSA-N 451.910 4.764 50 40 JJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408879391 DDNFZKUAADGPLK-LSHDLFTRSA-N 456.867 4.892 50 40 JJGB CCOC(=O)COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 409032371 CXACUCAVCMFPIH-OGLMXYFKSA-N 453.498 4.608 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 9087660 SCPIFIRDAUNNGN-QGZVFWFLSA-N 462.358 4.713 50 40 JJGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(CCCC#N)c3ccccc32)cc1 18173451 LJCLSRHBGYWPNJ-QCKNELIISA-N 474.605 4.950 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccccc1 34887891 FHIIHMZMKKKPKF-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21 46084981 VQQWWXJQGPXWFJ-FVDSYPCUSA-N 457.530 4.642 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1C 59372774 SXMPZAFLEBMZSU-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)c(C)c1 59372776 YYBBRQXTRZSIBC-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccc(F)cc1 408602313 CWIFNIIPVBJQNY-HXUWFJFHSA-N 477.536 4.526 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 408610867 OUGILHMSPGAWRT-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 408906584 HXLYLKGWLGZECF-VULFUBBASA-N 490.412 4.956 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409025373 QCWWIJICOBPHJM-FGAYPWGZSA-N 479.602 4.907 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2cccc(C)c2)cc1 409063114 HDENPQYWBWKQRN-OGLMXYFKSA-N 477.630 4.768 50 40 JJGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1 409197515 HNCZAKRFYQMTKF-VKMIRQPFSA-N 456.546 4.809 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3n2)ccc1OC(=O)c1ccccc1Cl 704786 MQVJQCYKBIQWJW-JFLMPSFJSA-N 459.889 4.880 50 40 JJGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 9158166 UUJSVZSDTDNHAW-CJLVFECKSA-N 471.538 4.696 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2Nc2ccccc2)cc1 9235496 QTFBIFWATDQYSK-WGOQTCKBSA-N 493.361 4.846 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccc(Br)cc1 14134730 JNCOTVNGGRKVTG-ZMOGYAJESA-N 455.308 4.506 50 40 JJGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 16699811 CZJFWVGFARWBJQ-MTIYOZEWSA-N 470.573 4.776 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 23723880 DMWKJIAGMRLLMU-RCCKNPSSSA-N 489.959 4.632 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 59305867 RCMFIJJRXSTQPJ-UUILKARUSA-N 456.123 4.736 50 40 JJGB Cc1nc2ccccn2c1P(=NS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1 102141535 PWNDZAYIVNFBIK-UHFFFAOYSA-N 471.522 4.509 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl 109041798 KAQZXKOENRZHNL-RPPGKUMJSA-N 475.328 4.861 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl 408607919 FQXKOPQNPDNJKW-KKMKTNMSSA-N 490.318 4.809 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 408750831 SGDSHSVRNOSSST-GTWSWNCMSA-N 495.579 4.657 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)c(Cl)c1 408761739 HDZLBGOGEZKTPE-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1I 408764197 SHXVCXGGJVQWHB-WQLSENKSSA-N 453.077 4.599 50 40 JJGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 409189910 KOCQAYCMSZXIES-WYMPLXKRSA-N 455.854 4.837 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 648237 LDIBIAAKWQUTJG-VWLOTQADSA-N 462.546 4.844 50 40 JJGB O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(Br)c(Br)s1 2791774 BQPTWZYYUYBRJV-UHFFFAOYSA-N 469.611 4.558 50 40 JJGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)c1 12560653 NIWYAAWJANPECY-LGUFXXKBSA-N 455.624 4.919 50 40 JJGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)cc1 13174078 MCILOAUWMDXLQC-QFIPXVFZSA-N 478.599 4.507 50 40 JJGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 26962606 BHDYGKXZMUAJLZ-SMNNTEATSA-N 478.552 4.783 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(OC)cc2)cc1 34696842 ZTEKXAKJNLNHMS-CAPFRKAQSA-N 471.513 4.657 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 58926027 QHVBSJFYHWQYSQ-AFUMVMLFSA-N 476.385 4.724 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(Br)cc1OCc1ccccc1 59305726 WJELPSWXQHMCTA-VCHYOVAHSA-N 467.319 4.853 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1OCc1ccccc1Cl 408610921 OZMXQXPZSBSFII-OKCVXOCRSA-N 493.991 4.818 50 40 JJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c1 408678431 ZATCRLXGPQNPKP-OGLMXYFKSA-N 458.562 4.553 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OC(C)C)c(OC)c1 408710643 BLCGKJJYRVKZPK-LSHDLFTRSA-N 455.736 4.671 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCC(=O)O 408798142 UZCDKBMCBUXZRS-YBFXNURJSA-N 492.915 4.937 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408881638 LUVVTSZSCRQKJP-DHRITJCHSA-N 493.368 4.842 50 40 JJGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409007008 MDQQLCIACJWDOV-FMCGGJTJSA-N 499.611 4.963 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 409045888 JKKQEXKRODHDKI-LDADJPATSA-N 461.905 4.917 50 40 JJGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 409238804 MACFDKZDAWMESM-BKAYVGFPSA-N 453.336 4.644 50 40 JJGB NC(=O)N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 409383804 IDQJLPDEJMFNCM-AUEPDCJTSA-N 477.156 4.946 50 40 JJGB CCCOc1ccc([C@@H]2CN(C(=O)CCl)[C@](C)(C(=O)OCC)c3[nH]c4ccccc4c32)cc1OC 1083103553 PGYRJPUXBDVEQD-PPHZAIPVSA-N 499.007 4.957 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)cc1 10118540 IHQZHKAPEKYPJR-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 10315742 OSQTYPIHNFHZHY-AFUMVMLFSA-N 454.914 4.747 50 40 JJGB CC1(C)[C@]2(C(=O)NCc3ccccc3)CC[C@@]1(C(Br)Br)[C@H]2Br 98046359 UIKKPSSZEXZGHL-OAUYIBNBSA-N 494.065 4.989 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)c(OCC)c1 408606906 RRNWZVCTCMYKLG-QHCPKHFHSA-N 490.585 4.569 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 409017282 FPLCICZCDUDHPG-RDRPBHBLSA-N 467.525 4.559 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccc(Cl)cc2)cc1 1245446 AQCQSLGQRNBHOP-AFUMVMLFSA-N 481.965 4.822 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccccc2)cc1 1828431 GGUBJNSNCNECSZ-WPWMEQJKSA-N 471.586 4.884 50 40 JJGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1Br 3127341 NJJDSXHWCTWKLO-DNTJNYDQSA-N 458.150 4.766 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 3210767 ABMBSHORYKWQSI-IPPBACCNSA-N 457.452 4.855 50 40 JJGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1CC(C)C 8934392 CQPKPKSXQQCXSC-QGZVFWFLSA-N 462.413 4.984 50 40 JJGB COc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C)cc1 13893685 WFKJUVALDQWUOW-UHFFFAOYSA-N 485.650 4.907 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1 20348501 ROQRPSRBPWAQPI-QHCPKHFHSA-N 463.534 4.623 50 40 JJGB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 102649249 NXFJZRPIIMTORI-RGTCPLQGSA-N 462.727 4.642 50 40 JJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c1C 106953425 DUQINEVZFSJKGO-WKULSOCRSA-N 450.542 4.975 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OCC 408898722 MOEUHOFMYDDXFZ-RIYZIHGNSA-N 490.310 4.709 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OCC 409322519 KFMIKNCMYCYMHI-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)c([N+](=O)[O-])c1 2708494 AEQLZDLLQHJDKM-SDNWHVSQSA-N 476.514 4.748 50 40 JJGB CCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 3174779 NJYDZHWAVCPPPN-SSDVNMTOSA-N 484.188 4.789 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 3176267 SSFOSGIWLIYHRZ-WPWMEQJKSA-N 477.973 4.839 50 40 JJGB COc1ccc2c(c1)-c1c(ccc(OC)c1OC(=O)C(=O)c1ccccc1)C[C@@H](Cl)N(C)CC2 31719938 RVUFIQLGIPPCBB-QHCPKHFHSA-N 479.960 4.754 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl 408616135 WLWWTCKXKGFMHL-CCVNUDIWSA-N 499.926 4.554 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)c(OC)c1 408745845 ALLGXXRIYZJGPX-YDZHTSKRSA-N 474.298 4.616 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)c(Cl)c2)cc1 408775553 IJMLRGFXXKJNME-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408790834 ZGPQZUIITFLDIS-XNTDXEJSSA-N 451.822 4.840 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)cc1 408896083 PCXFSQWQNIXYPU-CPNJWEJPSA-N 477.498 4.525 50 40 JJGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 409002720 PFCVEOJXUQTGCY-LGJNPRDNSA-N 469.328 4.968 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409127549 NVJZDCOFVIZMDL-ZXVVBBHZSA-N 479.602 4.763 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409260299 OFYKACAWZQYLSJ-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NNC(=O)c1ccc(Cl)cc1 2620135 AVDMYGXNUFYDBU-UHFFFAOYSA-N 490.416 4.920 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccccc1C#N 8811160 AOVLVQCQEJUZIB-WKULSOCRSA-N 493.947 4.970 50 40 JJGB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1 9839439 OXSBNVHSPADILG-UHFFFAOYSA-N 497.551 4.525 50 40 JJGB CCOc1c(Br)cc(C(=O)NNC(=O)c2ccccc2COc2ccccc2)cc1OC 12766444 IUNXIUPMHOITKE-UHFFFAOYSA-N 499.361 4.510 50 40 JJGB O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NNC(=O)Cc1ccccc1 13524838 PQYGGINQCJWZSP-UHFFFAOYSA-N 498.530 4.586 50 40 JJGB Cc1cccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Br)cc2)c1 30738383 ZYWIKZMZRLLOTI-WGARJPEWSA-N 466.335 4.539 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 58918253 NMIVFVQOXLLMIT-YZSQISJMSA-N 473.957 4.523 50 40 JJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(I)o1 96466262 QITLBOZEDZXJMJ-XFFZJAGNSA-N 471.092 4.755 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)c1 408967550 QVCQXFPXJBNVEK-MTDXEUNCSA-N 454.530 4.825 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C 1106780 FUNSOSJYJWPIES-RPPGKUMJSA-N 460.412 4.794 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(F)cc1 1775516 IKZQHYPISHCJPP-ZVBGSRNCSA-N 452.989 4.865 50 40 JJGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Br)cc2)o1 3036630 AEKQQUSHYSIKLX-LSHDLFTRSA-N 478.686 4.800 50 40 JJGB Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c3ccccc32)cc1 4082089 LIFJVOHGGBTJSM-MTDXEUNCSA-N 482.565 4.741 50 40 JJGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 6190623 ZMVKRMOKHLFYOL-QQNPRBCQSA-N 492.417 4.872 50 40 JJGB N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc2cc(Cl)ccc2o1 6235104 GJUNDUDPDATROP-QXMHVHEDSA-N 457.924 4.715 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 8812559 XZJDJPWNPXMIJI-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1O 13942055 JMVQLCSYDQIKNI-QQXSKIMKSA-N 477.977 4.926 50 40 JJGB N#CC(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)=C1Nc2ccccc2N1 38212333 RLIRFGWYRFDPQV-UHFFFAOYSA-N 452.495 4.962 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 59427416 ZEGFSTBVRXTYGZ-AJBULDERSA-N 495.579 4.657 50 40 JJGB Cc1cc(C)c(OCC(=O)NN=C2CCC(=NNC(=O)COc3c(C)cc(C)cc3C)CC2)c(C)c1 59942136 VWOCDYQWDUXLFI-UHFFFAOYSA-N 492.620 4.513 50 40 JJGB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc4cc(Cl)ccc4o3)cc2)n1 100929708 AUCQQYRHNJOJEF-QINSGFPZSA-N 480.937 4.665 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408725668 NKNDZYMIZLBFAN-GDNBJRDFSA-N 492.313 4.643 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 408744026 JERSJKLWDDSFTB-UYRXBGFRSA-N 460.490 4.955 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C)cc2C)cc1 408783211 MFVAKGXALPJSFT-CVKSISIWSA-N 469.994 4.611 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)ccc1Cl 408993508 DPUWMKWJLCTICO-OPEKNORGSA-N 460.317 4.628 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409008112 UBVSKHGQSNCYIH-KGENOOAVSA-N 455.514 4.875 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OCC 409186205 YTDHIJXDLQTJRN-RDRPBHBLSA-N 457.574 4.806 50 40 JJGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br 409310300 UETBLDJCDHQHBW-YUMHPJSZSA-N 493.357 4.813 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC 409316930 RRSBUKYBBODXNE-VYYCAZPPSA-N 482.920 4.788 50 40 JJGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 16478314 FSMURXLBFTVLOR-OEHLLJELSA-N 484.987 4.809 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 20232320 XKBXAUJEPLJKRG-PCLIKHOPSA-N 499.683 4.784 50 40 JJGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 35166934 UOVXLIGBUCGLEO-PKAZHMFMSA-N 459.502 4.604 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 59436975 WMKRSPKITQDRSH-JBASAIQMSA-N 470.617 4.952 50 40 JJGB N#C[C@H](C(=O)/C(=N\NC(=O)c1ccccc1O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104286107 NSESCDYZPCIYJX-IBAMJDMASA-N 491.334 4.969 50 40 JJGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408788157 IQYCEHKQYPXWPI-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 409041087 IEEXEWIIZZDHBG-IZZDOVSWSA-N 454.093 4.905 50 40 JJGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)sc2c1CCCC2 409205207 AGDRCZQOMFTGPA-AFUMVMLFSA-N 469.632 4.965 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1)Nc1ccccc1 681307 WOXJOPYZWLWFPQ-VULFUBBASA-N 492.329 4.977 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2ccc(Cl)cc2)cc1 1261351 KFSDXBAKEIKEJQ-JFLMPSFJSA-N 492.992 4.624 50 40 JJGB N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)c(F)c1 8816288 XDNGOUDVCCEATK-FJEPWZHXSA-N 467.456 4.892 50 40 JJGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1C 9159700 GCCSZPFHKUGXOL-RCCKNPSSSA-N 471.538 4.750 50 40 JJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)cc1 10315745 YFEKPOKSRNGEJQ-OGLMXYFKSA-N 461.562 4.751 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 13770756 KWYBLXCPEXSSBH-XDJHFCHBSA-N 466.497 4.658 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 16429467 PSOSHJFUCBFQRG-GUJRAXHGSA-N 488.416 4.690 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 20213971 AHPYVHTYMWSFAW-ZXVVBBHZSA-N 495.601 4.574 50 40 JJGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccccc3F)C(C#N)=C(N)O2)S1(=O)=O 20558685 PGCQRWDHMSKOEX-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(Br)c2)cc1 33777924 WDHRIKHBBLFVDZ-MZJWZYIUSA-N 491.345 4.622 50 40 JJGB COC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408854645 JQKGWFKZUIVKJU-MIXAMLLLSA-N 467.525 4.768 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408896910 OWMGGSDSIUGETE-FOWTUZBSSA-N 483.889 4.562 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c1 409072895 UFLWOROLTRIUQB-AQTBWJFISA-N 452.919 4.962 50 40 JJGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 1453315 TXMBUYMROYEJQC-SAPNQHFASA-N 458.905 4.944 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1OC 1752937 RWCMVYUWPLEWGC-CVKSISIWSA-N 451.910 4.764 50 40 JJGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1889038 KZYMSZMGRYUBBL-SSXUBFHHSA-N 481.936 4.815 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3079914 MHQJYAJJUCAIRX-WPWMEQJKSA-N 478.468 4.866 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1Cl 8873216 BBYYKLADICAMFP-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 16741677 ROZWTFBYSYXMKU-SAPNQHFASA-N 467.554 4.586 50 40 JJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240497 WADJDGYZJIPKMA-AJBULDERSA-N 478.596 4.627 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(OC)c1 20240591 MVHDKXXLMMIZCO-TWKHWXDSSA-N 471.601 4.922 50 40 JJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 20248668 KQJBEPVNEKUBRT-KVBLLREYSA-N 490.654 4.948 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 33510881 MXCPKSVVZFGOCL-LGJNPRDNSA-N 487.325 4.948 50 40 JJGB COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 38680163 GDJCWCKJBXJPQQ-NRFANRHFSA-N 450.853 4.925 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 108200232 TZCRGVIDNZMVDF-NDENLUEZSA-N 487.468 4.816 50 40 JJGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408850572 OHPXCYVRLOFULM-HOEBFWFUSA-N 486.105 4.729 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)ccc1OC 409315808 OQGIAJSPYXJZNQ-DICXZTSXSA-N 481.936 4.529 50 40 JJGB COc1ccc(OCc2ccc([C@@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc2OC)cc1 2768295 UGWKBSAKXWKIRV-JYFHCDHNSA-N 466.541 4.876 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)C(C)(C)C 8843169 HCPPXTHPMIUIFV-OEAKJJBVSA-N 456.395 4.727 50 40 JJGB CCOC(=O)/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 105969473 AWEBXADOEQECFH-NFFVHWSESA-O 480.524 4.815 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(N(C)C)cc1 408949494 IFCFPOKCAGCORJ-KQWNVCNZSA-N 451.574 4.907 50 40 JJGB CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc(Br)cc1Br 409108075 UXKDGJFTYWOFCZ-NKVSQWTQSA-N 490.579 4.793 50 40 JJGB CC(C)n1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c2ccccc21 409169148 PAQYTFQYVUVPPP-IRSOAJISSA-N 482.540 4.572 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409257071 NVEGDPOLGRHKCB-KGENOOAVSA-N 485.540 4.971 50 40 JJGB Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Br)cc1 648073 JUENRTJBVPADOR-NRFANRHFSA-N 465.351 4.895 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(OC)c1 1245131 HTEZQYHJDLEPJD-JVWAILMASA-N 487.585 4.502 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 1434074 LBKCVCNVEUVGCF-ZOCNZVAZSA-N 480.520 4.964 50 40 JJGB Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 2264231 ORSZPPVZDNACNZ-LSFURLLWSA-N 454.770 4.685 50 40 JJGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1O 9111212 GHJXAJQQPIQQCC-IMRQLAEWSA-N 487.585 4.589 50 40 JJGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 9262046 GKBGXOLBXFHOAL-LSHDLFTRSA-N 478.686 4.800 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(I)cc1 10118431 PDCTYMMAEJLQKD-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccc(Cl)cc3Cl)nc12 13806816 UVDNHCMGIVRQPV-XNTDXEJSSA-N 495.322 4.918 50 40 JJGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(Br)cc1 15134201 MIDHGQQDJXNHPO-VULFUBBASA-N 497.345 4.514 50 40 JJGB COc1ccc(C=NNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1COc1ccc(F)cc1F 15930777 ZAEZHRAUXWBYOX-UHFFFAOYSA-N 494.498 4.771 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 17644057 LFRUPVQGOODABC-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)NCc1ccccc1 58882671 KQCJBLKXZIUHGP-QXPFVDMISA-N 477.564 4.664 50 40 JJGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCC3=CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100773559 RCDJEKRGEWVOFY-NIIHOXDUSA-N 491.625 4.525 50 40 JJGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Oc4ccccc4Cl)cc2)[C@@H]13 102649255 NXFJZRPIIMTORI-HTVVGEMYSA-N 462.727 4.642 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1 408787869 HBLOGMGICGLCPP-WOJGMQOQSA-N 493.313 4.978 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408790508 WRZJKFSJDMZHGT-RCCKNPSSSA-N 471.469 4.896 50 40 JJGB COc1cc(/C=N\NC(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 408851691 MNZIULUVJZZTOH-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)c(OC)c1 408876977 SDHRQKVNGHEIDM-SRZZPIQSSA-N 476.504 4.654 50 40 JJGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 409038882 PTQQTIMNZQRCQC-NTEUORMPSA-N 499.748 4.796 50 40 JJGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409072381 NFRBXFZNZBBQKC-WJDWOHSUSA-N 483.889 4.562 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409253701 YBBPXMWGVKYSMB-FUSDPXDGSA-N 465.912 4.561 50 40 JJGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C 409393658 YVXIRMBDDHJPOU-MUFRIFMGSA-N 454.530 4.596 50 40 JJGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453199 YABLFVSHSLZIQV-XMHGGMMESA-N 457.555 4.850 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2378081 YTRPFSYWQBYOIH-YDYXIROLSA-N 455.539 4.760 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 2696432 VYCOIVIMKQHQOF-VULFUBBASA-N 462.962 4.590 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccccc1 3031977 DEEGUNWVBPBRST-JFLMPSFJSA-N 466.921 4.795 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccccc3)nc3ccccc3c2=O)cc1 4473692 AKUKWWUDURRHHT-SILQRRHJSA-N 484.581 4.692 50 40 JJGB COc1ccccc1Nc1nnc(SCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)s1 8780455 MNNSZWKAMXCQMY-UYRXBGFRSA-N 467.601 4.929 50 40 JJGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1 12250804 LPLGXOJBGUIKHA-DEOSSOPVSA-N 476.602 4.796 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 26712598 ORXDHFRLJLDTBE-DEDYPNTBSA-N 458.470 4.527 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C)c(Cl)c2)cc1 408787155 SNSLEYFMIBYBCY-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408962104 PWXFEXVVVPYSEO-DNTJNYDQSA-N 452.648 4.529 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccnc1 409031990 IHGZXRUZETUJLB-WYMPLXKRSA-N 489.167 4.950 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 409261288 CHXGIDALJLQDMO-WWTGGXICSA-N 465.912 4.561 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OCC 409349691 UNBCOXYYAXJSIR-FOKLQQMPSA-N 499.203 4.571 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3[N+](=O)[O-])S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934945 VSVDWUAOJJMFND-OGCOBRASSA-N 498.564 4.646 50 40 JJGB N#CC1=C2NC(=O)c3c(sc4c3CCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1064123 MMHZOOUCHDYXKR-HXUWFJFHSA-N 472.526 4.625 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3OC)C3=C2C(=O)CC(C)(C)C3)cc1 1426555 LACYBCAJLDCDGV-DEOSSOPVSA-N 459.546 4.653 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1Br 1774862 MTFJDDKEFYFHIE-KEBDBYFISA-N 479.450 4.835 50 40 JJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)c([N+](=O)[O-])c1 2078423 UKWLHJGNJVCFJE-SRZZPIQSSA-N 475.242 4.532 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 8383692 ZACPUXJKVOHENO-LGJNPRDNSA-N 487.325 4.948 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 33656873 YBBQQJRHBOAOQD-DBFSUHOCSA-N 467.447 4.776 50 40 JJGB Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 46084803 VMBCPQWZTKZHAP-QVTSOHHYSA-N 485.584 4.617 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 59101665 RNGWYUHQCCJQSY-VFLNYLIXSA-N 489.425 4.521 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1 408608371 PGSSRHBYYWEJMO-LJQANCHMSA-N 479.964 4.814 50 40 JJGB CCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408974198 WRJJGSWQVVSZHD-JXXQQCOQSA-N 473.598 4.666 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1C 409008636 ZCQGPRCSQHXZHS-WGARJPEWSA-N 496.361 4.548 50 40 JJGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1 409013819 VZWXBSMOLPDWND-WGARJPEWSA-N 490.610 4.865 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)cc2c1 409187791 UJDLLMYOENWEHY-NTFVMDSBSA-N 471.513 4.921 50 40 JJGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc(OC)c1OC 2442419 DKQLTMORGUTOKT-IBGZPJMESA-N 465.575 4.549 50 40 JJGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1OC 9693326 NAYXNFRETUKYPB-KRWDZBQOSA-N 455.967 4.885 50 40 JJGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214556 JUHAGZDBJIQNGF-UBXTYJAUSA-N 465.550 4.615 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1cccc(Br)c1 59383336 PCKZOUFBQCYUJU-AWQFTUOYSA-N 472.202 4.604 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 107570103 UNJBRUQQDMIWLY-ZMOGYAJESA-N 456.340 4.638 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Br)c1O 408570660 XLOKAVMYYADSBW-SSDVNMTOSA-N 497.436 4.561 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc2ccccc12 408604456 JJMFVJHGADPRLN-HSZRJFAPSA-N 452.539 4.925 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 408768146 CHZHTLCJPGYGMW-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 408803722 SPIZLPLODXRGCR-LDADJPATSA-N 491.931 4.920 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NN(c2ccccc2)c2ccccc2)cc1 409001505 ITXKFLHKTSVWII-MHZLTWQESA-N 485.609 4.754 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409083179 UYOPFNZOTVBZHB-RGEXLXHISA-N 459.458 4.737 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC(C)C 409195099 TTYKOQLGDFAPCP-UFFVCSGVSA-N 472.710 4.504 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 409235558 CFHXSTIZZJWJTN-RPPGKUMJSA-N 463.994 4.992 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl 409256721 PEAXLNCKOFHPRB-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)nnc2-c2ccncc2)cc1 1479402 WEDWVSXTOMXPBO-MUFRIFMGSA-N 494.580 4.739 50 40 JJGB Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 3079767 ZYWIKZMZRLLOTI-VULFUBBASA-N 466.335 4.539 50 40 JJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9763182 VVPAQSWXDJBBRK-ONUIUJJFSA-N 465.623 4.904 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 13922818 YBRWYMYKEFKAQR-MZJWZYIUSA-N 469.900 4.546 50 40 JJGB Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 13941821 DXJJEYSBMWWKJG-OVVQPSECSA-N 497.389 4.996 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)cc2)n1 15317606 QWLHWYHDMHAKCN-UHFFFAOYSA-N 482.609 4.979 50 40 JJGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 33759616 SLLMXGVMYGXNBW-UKWGHVSLSA-N 452.102 4.730 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 33959662 PAXVZISADXRJAH-VULFUBBASA-N 454.910 4.709 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC 59104177 HLHVKDTUJVAECP-YVLHZVERSA-N 468.351 4.604 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OCC#N 408753357 MEDHZKYVVBGERH-QPEQYQDCSA-N 491.139 4.668 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408777167 WDHDLQDNFSSDPH-ZHZULCJRSA-N 472.501 4.794 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Br)cc1 409190479 OJEJTTJBABSIBR-PDGQHHTCSA-N 482.378 4.741 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br 3079796 HIGNTUCGEPURDM-AEOXGOBCSA-N 484.188 4.918 50 40 JJGB CCOc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc(OCC)c1OCC 3239017 QBUVJRRDSIAGHQ-CVKSISIWSA-N 470.957 4.794 50 40 JJGB N#CC(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)=C1Nc2ccccc2N1 3295623 AGFZDAXZTFXHAC-UHFFFAOYSA-N 485.960 4.917 50 40 JJGB O=C(NNC(=O)c1csc(-n2nc(-c3cccs3)cc2C(F)(F)F)n1)c1ccc(Cl)cc1 8770007 URTKXHOAZWFZHW-UHFFFAOYSA-N 497.911 4.804 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc(F)cc1 30843578 WBXLKHLULVHBIM-MBTHVWNTSA-N 464.493 4.590 50 40 JJGB O=C(COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Nc1ccc(F)cc1 33492974 BCGXVKCHGZUIPH-LGJNPRDNSA-N 492.488 4.730 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C 58912765 JESSHFHUVXFDPL-DHRITJCHSA-N 467.367 4.562 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 98087094 YIMCQTHBZCTJPA-JFLMPSFJSA-N 490.357 4.632 50 40 JJGB CCCCCCn1c(SC/C(O)=C(\C#N)C(=O)NCc2ccccc2)nc2ccccc2c1=O 102426665 UBONUZRAVJNFPJ-LNVKXUELSA-N 476.602 4.721 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCCC2)c(F)c1 408569650 PCQSPZJLKIAIIJ-MFKUBSTISA-N 459.612 4.824 50 40 JJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(I)cc3)c2C)c1 408589285 LEBYSPHIMBJZJP-DHRITJCHSA-N 486.357 4.569 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409241073 WXCLEWNDQOGMAY-ZMFRSBBQSA-N 471.872 4.668 50 40 JJGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1 12401428 QXHLSHIBJSRUGP-BRJLIKDPSA-N 460.962 4.896 50 40 JJGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1 12587810 YEXSDQJWSVTYMB-KYTGFPJZSA-N 458.606 4.890 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 14361323 WCJMUVUCJCALNO-CVTVWXOJSA-N 486.956 4.571 50 40 JJGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)n[nH]2)ccc1OCc1ccc(C)cc1 18148696 WHJHBBNLTSAHMQ-RWPZCVJISA-N 458.493 4.876 50 40 JJGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4cccnc4)cc3[C@@H]3C=CC[C@@H]32)cc1 58917783 XTXRNNHMEGUMHE-YAECIACVSA-N 466.541 4.849 50 40 JJGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 83301763 WPMQIGNIWUZVCR-JOWQQVNMSA-N 477.517 4.536 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c(Br)cc1OCc1ccccc1 107809889 YJTQTHHNGXWDKO-VULFUBBASA-N 496.361 4.759 50 40 JJGB O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408601809 BTBOWOLZFFYKPQ-QGZVFWFLSA-N 453.901 4.554 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 408611702 RSKRFQNFQMZOFD-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408612431 VJIMTAFDDSOVBL-OPEKNORGSA-N 456.757 4.592 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)CC1 408863552 PFGCLWYZSNAXEU-FDAWAROLSA-N 496.533 4.800 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)cc1 408889051 BEHPPGGQIKYPGB-DEDYPNTBSA-N 482.452 4.981 50 40 JJGB COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 409033968 MMXXARUOIVVTLW-MDWZMJQESA-N 485.323 4.696 50 40 JJGB COc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)ccc1OCc1ccccc1 409323505 PNDXCSLKJBGQRK-WGARJPEWSA-N 499.361 4.818 50 40 JJGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 9246889 JVVVEZWTGPDRHS-LQKURTRISA-N 468.469 4.529 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 9355273 ORFXOZPOEBFHSZ-LQKURTRISA-N 483.480 4.805 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC(C)C)c(OC)c2)cc1 20197960 RRGBPJMJXGMSIL-YDZHTSKRSA-N 496.345 4.640 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 21966028 NJONNBOIFGQGPQ-NWZXOKCJSA-N 498.764 4.729 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccn1)[C@@H]2Br 100012909 AYSYGAXXLZIKSF-ONERCXAPSA-N 481.026 4.706 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C 408590886 RCPHMHFSTGYXGA-JVWAILMASA-N 456.502 4.857 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408760481 ZJPBFHDWZOATAI-ZHZULCJRSA-N 490.537 4.520 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1 409269884 AQQKZJMMPSJNJG-AQTBWJFISA-N 461.905 4.912 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)ccc1OC 409312382 LECHBNSIRNZLIH-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)ccc1OC 409314305 FSANQQVXLBREBH-DICXZTSXSA-N 452.482 4.585 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nc2ccccc2c1=O 1781303 XXQKLOAOFHBEKK-MUFRIFMGSA-N 494.576 4.795 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887989 JKPHDDATYPIXDW-YMGIJWJESA-N 484.537 4.968 50 40 JJGB CC(C)(C)OC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 2294228 XSLYPEMSIJCODR-FZSIALSZSA-N 472.959 4.538 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 16162868 TXUVZANQCQTBGR-JVWAILMASA-N 457.490 4.857 50 40 JJGB C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N)c1ccccc1 16576914 KDXWHTLGQMDMKV-CQSZACIVSA-N 465.425 4.823 50 40 JJGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1 20558277 QVNBUGKCRJWPJA-XMMPIXPASA-N 485.565 4.612 50 40 JJGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 34798747 DCYOBSSXIAHXMC-RKVPGOIHSA-N 458.914 4.936 50 40 JJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 59224746 XIZMDYPTEPDWTG-VZUCSPMQSA-N 466.675 4.574 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1c(OC)ccc2ccccc12 408602734 DKLIDMYNYMCWDQ-XMMPIXPASA-N 482.565 4.934 50 40 JJGB COc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c1 408828889 JWCMSZZVQHLLDZ-UHFFFAOYSA-N 471.623 4.599 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409253844 VOJOSOHJBFWWJC-DICXZTSXSA-N 465.937 4.829 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Br 8812080 XLPQOCRYWPLDOC-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccccc1Cl 20348457 RMYSPTFVJKNWGV-HSZRJFAPSA-N 486.037 4.947 50 40 JJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 33706801 LRALKWAUBZOFGS-VBKFSLOCSA-N 488.412 4.628 50 40 JJGB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1 100958939 PVJDYSDBDKKOST-DHDCSXOGSA-N 458.297 4.649 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408527444 FTCWDWQUKBFLJQ-VULFUBBASA-N 452.352 4.899 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2OCC)c(C(=O)OCC)c1C 408546145 DJXJLUKMRROONH-SFQUDFHCSA-N 485.558 4.536 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408609951 SOYFUWZROPHCKI-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1 408954527 XPJKRZPQYKEXPK-VYYCAZPPSA-N 477.904 4.876 50 40 JJGB CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2ccccc12 409016697 RIRAUFZBXAIIHQ-HGQHNSGJSA-N 451.954 4.553 50 40 JJGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c1C 409323506 PNFQLIBQBLZOQR-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409370552 AANNFPGPCUNEOA-LGJNPRDNSA-N 460.361 4.908 50 40 JJGB CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2[C@H](c2ccc(Br)cc2)CN1C(=O)CCl 1083103691 VMGCPAUOUIDHCW-SBUREZEXSA-N 489.797 4.922 50 40 JJGB CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 2238687 NFUAFNMTVYVEPT-JFLMPSFJSA-N 492.988 4.680 50 40 JJGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C12CC3CC(CC(C3)C1)C2 13302319 OJYAYSHTIMTBQC-HUUQGKSUSA-N 490.604 4.677 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 13856593 RAKQYROOQMZPSK-RDTXWAMCSA-N 499.188 4.879 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccco1 20348580 SDDBVIBPECSXQV-OAQYLSRUSA-N 469.950 4.730 50 40 JJGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c1 27022334 PSDPERIMKWHVLJ-HKWRFOASSA-N 494.580 4.730 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(Br)cc1 30803032 YYPRSGMSYWGCPE-ZMFRSBBQSA-N 482.334 4.534 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(Br)cc1 59333723 PJHSSNVNUCDEEG-UNOMPAQXSA-N 455.352 4.760 50 40 JJGB CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101149806 WJAMFOFBMMSDLD-MFKUBSTISA-N 471.520 4.727 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409123851 ILJHPARAZOKNCH-JOCHJYFZSA-N 461.905 4.614 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409227765 WLXALAQLCYCJQD-NZESAHIUSA-N 463.877 4.939 50 40 JJGB CCc1ccc(/C=N/NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1 8454806 IIDSEERQYKWGFQ-WBSLIQCRSA-N 456.255 4.598 50 40 JJGB CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCCC2 27026843 NARMTDWMZCBEES-UZQPLGKSSA-N 482.440 4.901 50 40 JJGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 33499773 DVYXKYVWERIXFQ-DHRITJCHSA-N 475.482 4.851 50 40 JJGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccccc1F 33579490 UXJQCMMBZJSIOX-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 108262772 NWNFHOPYUQKZOT-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCc1ccccc1Cl 408612609 WCVDXDFOOTTYFB-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 408856594 KSRWXIJTLODCSK-OYKKKHCWSA-N 480.568 4.936 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2Cl)cc1 408856815 DUNWOVSMZMLJTP-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2 2436033 MDXZFVDLSNGLTQ-MUUNZHRXSA-N 493.954 4.753 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)CSC3=C(C#N)C(C)(C)[C@H](C#N)C(=O)N3)ccc21 8780506 NRJYYPQZCPEAIN-GOSISDBHSA-N 457.559 4.517 50 40 JJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 8780759 YHGDLEFKXQCEFH-GZIVZEMBSA-N 497.136 4.673 50 40 JJGB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(Cl)c1 8819722 XAPNBDNCZHVMFU-RGEXLXHISA-N 488.034 4.563 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 18173175 OAYNDBGWFFFISS-OVVQPSECSA-N 457.555 4.570 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 23471835 HGDXXERDPKCLIB-DFKUXCBWSA-N 483.660 4.615 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c(C(=O)OCC)c1C 107908736 XHCDXODPJZHFHS-GHRIWEEISA-N 484.574 4.712 50 40 JJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CI)CC[C@@]43C)[C@@H]1CCC2=O 118923405 MLUAUWXRNXTGCU-KZVLABISSA-N 456.364 4.865 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC#N)c3ccccc23)c(C(=O)OCC)c1C 408547564 ZAKPFPORMDZJNQ-SFQUDFHCSA-N 489.553 4.607 50 40 JJGB COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCc1ccccc1 408764389 MRRYKHDAKNJYPF-FDAWAROLSA-N 491.547 4.893 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC(=O)O 408792476 KDMUOFRSVPHOAV-KGENOOAVSA-N 472.497 4.673 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409007909 RQNKKVQKUCINEV-STZFKDTASA-N 455.514 4.875 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 409025502 VYIJTSXWKHYPQP-OEAKJJBVSA-N 482.414 4.791 50 40 JJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c(OCC)c1 718506 JWYFRBOELDXTRU-GOSISDBHSA-N 454.889 4.885 50 40 JJGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 1022833 ZARIWPINHRJFJH-NRFANRHFSA-N 495.004 4.895 50 40 JJGB CSc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 9730589 XWPGLOFTLNVHGN-MFKUBSTISA-N 488.034 4.792 50 40 JJGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 16917400 PYKUKLBBKCUZNE-RVDMUPIBSA-N 474.454 4.588 50 40 JJGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1ccccc1Cl 408602723 FKQBBEBUOHRKKK-LJQANCHMSA-N 479.964 4.732 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1C#N 408678384 XZNFVWOXUKEPDY-RDRPBHBLSA-N 454.530 4.510 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 408778109 BCDVMXRBHXAGOP-ZMOGYAJESA-N 487.341 4.780 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CSc3ccc(OC)cc3)c2C)cc1 408785383 WWDSMEHMNZGKSZ-YSMPRRRNSA-N 465.575 4.522 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 408891508 RQBWDPGXSWFTLX-LTGZKZEYSA-N 470.481 4.637 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1Br 408975715 CKLUFOCALUULRS-VGOFMYFVSA-N 465.145 4.837 50 40 JJGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1 409008127 UGIKVBBQMDSONN-FMCGGJTJSA-N 499.611 4.833 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 409024747 NSBOVVRKYQZHHM-SZXQPVLSSA-N 463.603 4.569 50 40 JJGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(C3=C=CCS3)cs2)sc(C(=O)OC)c1C 9424668 SCOUJWCREKOBDA-XFXZXTDPSA-N 459.574 4.696 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C)s3)nnc2-c2ccc(C)cc2)cc1 9836762 BRMLYNJUJXMESG-QFEZKATASA-N 477.615 4.864 50 40 JJGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 59233104 PNCLKQDKTTUQDC-MUPHDSPYSA-N 464.363 4.654 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 59334019 QRKGMFBVGNMTLD-NSIKDUERSA-N 464.703 4.585 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)cc1 107846008 YTFPZOWABPWDFK-VULFUBBASA-N 488.525 4.899 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OCC 408754351 QJFRYINALMNZAH-SRZZPIQSSA-N 470.161 4.773 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956631 ZHFPGKZIAMAKGX-OPEKNORGSA-N 460.317 4.628 50 40 JJGB COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c2)cc1 409219961 WWQNIHRKPOSFAP-UHFFFAOYSA-N 493.519 4.931 50 40 JJGB COC(=O)c1ccc([C@@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1 409337584 ZJJJXPLFMOYLNF-KRWDZBQOSA-N 457.349 4.508 50 40 JJGB Cc1n[nH]c2c1[C@@H](c1cc(COc3ccc(Br)cc3)c(C)s1)C(C#N)=C(N)O2 2727120 NDKWDQCEGPQLGB-GOSISDBHSA-N 457.353 4.648 50 40 JJGB O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)[C@H](O)c1ccccc1 8893752 OKLBTWLITIMANM-GUZGMJKESA-N 453.296 4.754 50 40 JJGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cccc1[N+](=O)[O-] 28217476 INHGIPXSJWHMJU-FSJBWODESA-N 455.312 4.837 50 40 JJGB FC(F)(F)c1nnc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)nn12 33354915 HNOUWPZEIZIRRW-UHFFFAOYSA-N 463.403 4.952 50 40 JJGB CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)NC3CCCCC3)=C2N2CCOCC2)cc1 35352055 CYLQYVAJQKKGMX-HHMRLWQFSA-N 479.669 4.914 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC 59484037 KAUAHSDNUYHTMQ-YBEGLDIGSA-N 476.314 4.943 50 40 JJGB O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O 408660184 WKSYYOMVMHBYOD-GOSISDBHSA-N 481.763 4.770 50 40 JJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408843673 AOGYWRHKJGDDOQ-YVLHZVERSA-N 482.765 4.862 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCc1ccccc1 408883077 QJGYAHDALRICSZ-FSJBWODESA-N 490.297 4.544 50 40 JJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 408956038 VSFVRNWBZSXMRM-WQRHYEAKSA-N 482.378 4.994 50 40 JJGB Cc1c(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N 409066088 GXUWFXSEVZSJKG-LGUSAWBASA-N 494.260 4.502 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)cc2c1 409187259 OCQNBFMBDZBTLL-MBTHVWNTSA-N 475.476 4.752 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1OC 409319238 CKDRUBOKPYFYEI-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OC 409324889 VNKJSILCLCTDDX-DICXZTSXSA-N 481.936 4.529 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC 409392514 PYHBGCUMQDCZJM-NVNXTCNLSA-N 455.898 4.630 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 637283 FCMDOEJMDIHGHR-OGLMXYFKSA-N 450.510 4.895 50 40 JJGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1OC 2310321 GRBOEEOQEYRHBF-DHIUTWEWSA-N 493.585 4.652 50 40 JJGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2359629 FOGQBTGQZCLNTI-YDYXIROLSA-N 455.539 4.760 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 2734395 HIQFZGUGADYPPX-WEVVVXLNSA-N 470.073 4.850 50 40 JJGB Cc1cc(C(C)C)ccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3145901 NLAJENCZMHOXAO-JFLMPSFJSA-N 475.501 4.775 50 40 JJGB COc1cccc(OCc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccccc5)c43)ccc2OC)c1 8568138 GVTOHZUASYKJLS-XMMPIXPASA-N 480.524 4.891 50 40 JJGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)c1ccc(I)cc1 12465102 FOWURQGOMAYLAB-OEAKJJBVSA-N 463.319 4.549 50 40 JJGB COc1ccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12 27297637 NNXRKVCZYKDZLK-IXCJQBJRSA-N 471.564 4.774 50 40 JJGB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc(SC#N)cc1 101129611 NHTLEGZYSBWDOO-LICLKQGHSA-N 460.300 4.583 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408606512 MFBKGCQGLDWSNL-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCc1c(F)cccc1Cl 408610366 TWQFYQHMXDJOHB-KRWDZBQOSA-N 497.954 4.871 50 40 JJGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)sc2c1CCCC2 409198073 WIERORUGMBTLBY-IIPRTONHSA-N 488.613 4.969 50 40 JJGB CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409284928 VQQIGYTUXYXGJU-UHFFFAOYSA-N 496.401 4.798 50 40 JJGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 12375878 MATZHVMTRBTCBZ-OUPLGOGSSA-N 495.560 4.889 50 40 JJGB N#CC(C(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)=C1Nc2ccccc2N1 15980683 GTMIUPIFDVSUMK-FESCCGCPSA-N 453.542 4.910 50 40 JJGB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 36243636 WMVYBBWDFRHJPT-UBIKKPPRSA-N 478.505 4.851 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 408611967 SVUYLPCBGFLFOZ-DHRITJCHSA-N 486.753 4.770 50 40 JJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc(I)c1 408759025 WQWBPORRNVKQRO-KPKJPENVSA-N 453.077 4.599 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(OCC)c2)cc1 408793566 PMKYVEGCIDFZGP-LFIBNONCSA-N 470.323 4.695 50 40 JJGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408811869 BNTHAOAFXRJGJO-GDNBJRDFSA-N 492.288 4.939 50 40 JJGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408821806 ATNCSOHEIUWUOQ-GDNBJRDFSA-N 490.368 4.919 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 408861575 STSAMYYVWFVYOP-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 409253895 HBOHSILSIKDQCI-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC(C)=O)c(OC)c3)n2)cc1OC 12140006 MRXHYYPQZCJSOE-CAOOACKPSA-N 466.515 4.834 50 40 JJGB CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2)c(OCC)c1 15009419 DDCCBZUGPUPOIS-LICLKQGHSA-N 477.298 4.739 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3COc4cc5ccccc5cc4O3)o2)cc1 67197038 FWKXYATWFLADBF-JOQGDWRCSA-N 470.481 4.567 50 40 JJGB Cc1ccc([C@@H]2[C@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2c2ccc(Cl)c(C)c2)cc1 102671571 FUYVXXGYSZYRLE-YTFSRNRJSA-N 485.923 4.652 50 40 JJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 108207030 HPMYTKWEXNSOKM-ZMOGYAJESA-N 453.340 4.579 50 40 JJGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408851842 GQEBXVGCTCFIEI-ROTLSHHCSA-N 471.966 4.697 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)c2ccccc12 408906704 DHQVQOZORSRKTJ-ISNDEZQZSA-N 461.562 4.826 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C)c1ccccc1 408978458 IMINCOGXXSNPCC-MJHSOURCSA-N 476.577 4.820 50 40 JJGB CCCCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2cc(Br)ccc21 2324460 DWIWFPXDVKZUHD-NFFVHWSESA-N 479.378 4.681 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(C)cc1 4196390 BROFKVGNNSZEGY-DHRITJCHSA-N 454.324 4.504 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C3=CC[C@@H]4C[C@H]3C4(C)C)cc2)cc1 6146230 PUTMZEMQPVKZET-LVGVVDSRSA-N 467.591 4.594 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 33702209 VAPHFNKGUMBGQN-AJBULDERSA-N 495.579 4.657 50 40 JJGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 35132091 UFPJCSUIWNTWOK-DHRITJCHSA-N 451.548 4.505 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59334826 JXTWQTJHXHVSPE-WQRHYEAKSA-N 470.323 4.660 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(I)c2)c1 408745006 IYSBFJRBVDUAHV-GDNBJRDFSA-N 462.287 4.634 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OC(C)C 408794712 BAWBXWRHTRHAKR-OQLLNIDSSA-N 492.313 4.728 50 40 JJGB O=C(CNC(=O)c1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408807345 BWBFRKJPHYTKKV-VFLNYLIXSA-N 479.367 4.877 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408914873 YIUOWXXSKWXWHY-PXMCARDJSA-N 484.350 4.517 50 40 JJGB Cc1ccccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1 409011312 GAAMSNWZJFWSBA-AWQFTUOYSA-N 483.103 4.872 50 40 JJGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cccc2ccccc12 409090445 PMWZHLAMSBCDLL-UFFVCSGVSA-N 495.114 4.676 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)cc1 409186936 JVJUMHJVPUFTTH-PGLADWBHSA-N 450.546 4.701 50 40 JJGB CN(CCP(=O)(c1ccccc1)c1ccccc1)CCP(=O)(c1ccccc1)c1ccccc1 2159453 DXRHZNPMLTYMON-UHFFFAOYSA-N 487.520 4.946 50 40 JJGB biogenic O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1cccs1 6141997 QOYUEFJATODPIH-YZSQISJMSA-N 491.594 4.892 50 40 JJGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 9160743 NDDVNMBYRUPVLD-HHHXNRCGSA-N 479.927 4.649 50 40 JJGB CNC(=O)c1c(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)sc2c1CCCC2 9223197 HYYDQUHZQJHCLQ-OBGWFSINSA-N 481.581 4.847 50 40 JJGB COc1ccc(OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccc4ccccc34)CC(=O)N2)c1 12250522 QVDHOYQGQXTTDG-HXUWFJFHSA-N 473.554 4.568 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 16311256 VFRGQWISAGCBSN-JVWAILMASA-N 491.617 4.788 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1OC 20064850 IGVXAYHFITWPGX-VWLOTQADSA-N 489.597 4.801 50 40 JJGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3-n3cccc3)cc2)cc1 30738219 LBKUBXVLFAQKCO-UTQBMDSWSA-N 465.509 4.869 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Cl)c3)n2-c2ccccc2)cc1 31871068 GOMPUVIEYGQAMT-YSMPRRRNSA-N 477.977 4.839 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 35340906 JVEGTNJYPWZBAQ-ZMFRSBBQSA-N 484.325 4.678 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)cc1 35394809 VIXVVXUMPGBRRT-AQTBWJFISA-N 476.485 4.598 50 40 JJGB COc1ccc2nc(/C(C#N)=C\c3cccc(OC)c3OCC(=O)Nc3ccc(F)cc3)[nH]c2c1 50574893 CJRAQXUUDNETQC-ATVHPVEESA-N 472.476 4.801 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(Br)cc1OCc1ccccc1C#N 59534035 LGSCITVGVMKZJZ-DJKKODMXSA-N 492.329 4.725 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OC 408726160 QLRYMHPEHWDUAP-YBEGLDIGSA-N 476.314 4.807 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc3ccccc3n2)c(C)n1-c1ccc(Br)cc1 408737606 FNUYSRXOAQZRQF-VULFUBBASA-N 477.362 4.934 50 40 JJGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)cc1 408762356 KAUIJIJSKZEANH-VBKFSLOCSA-N 483.889 4.562 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1 409027230 AWXGOFOPARKYET-NDZAJKAJSA-N 497.620 4.846 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)C2=C1CCCC2=O 409145475 QXXSGNVRZBKKAA-QFIPXVFZSA-N 482.353 4.897 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccccc1 409241639 KVYAUYODUGVKOI-BRJLIKDPSA-N 470.982 4.577 50 40 JJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1 409382836 RTDARLUTAXXNMF-VCHYOVAHSA-N 481.306 4.997 50 40 JJGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCc3ccc(Br)cc3)cc1)C(=O)N2 8427052 XXROGOGTXHZOEP-UHFFFAOYSA-N 478.346 4.731 50 40 JJGB CN(NC(=O)/N=C/NOCc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 8781495 XZZQRIHNDIKUQV-UHFFFAOYSA-N 470.666 4.871 50 40 JJGB CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1O[C@@H](C)c1ccccc1 8861553 QKZHLXWJOGAVFO-LUILSVGHSA-N 456.593 4.628 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOCCOc1ccccc1C 12285462 TUAIWRWODACHAT-HAVVHWLPSA-N 490.556 4.685 50 40 JJGB COc1ccc(-c2nnc(S[C@H](C)C(=O)NNC(=O)c3ccccc3)n2[C@@H]2CCCC[C@H]2C)cc1 102124003 LVSBLSSDRBAPQJ-JBYIUTFZSA-N 493.633 4.647 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)c(C)c1 408936178 OOWOJAGZSSCFKC-DHRITJCHSA-N 468.351 4.716 50 40 JJGB O=C(COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1 409266791 RFRXXYXORULQAM-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1OC 409304936 UCILSQCHOMITFJ-YUMHPJSZSA-N 493.516 4.744 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409316094 LIYANISCYKJFPD-AWEZNQCLSA-N 462.358 4.713 50 40 JJGB Cc1ccccc1C(=O)NNC(=O)CSC1=N[C@H](c2ccc(Cl)cc2)c2ccccc2C1 1443427 CHLPGEVNEHPPJV-XMMPIXPASA-N 463.990 4.887 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1ccco1 12467697 FTVYGBITEURBIK-BUVRLJJBSA-N 496.390 4.922 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(C)n1-c1ccc(I)cc1 12565158 XWFYMZSXBCSBOD-XNTDXEJSSA-N 474.327 4.701 50 40 JJGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C(C)=C/c2ccccc2)c1 15018330 YMTRVZUKTUDCSG-SOPLJYGISA-N 469.541 4.680 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Cl)C2CCCCC2)c(C)c1 35314019 XOKGYVCCUSXLNR-YSMPRRRNSA-N 476.042 4.739 50 40 JJGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336165 GORSRXYMAYWACC-GHXNOFRVSA-N 484.133 4.853 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(C#N)cc1 408570823 YZPMSFSAQNNKOY-JFLMPSFJSA-N 476.627 4.974 50 40 JJGB Cc1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1[N+](=O)[O-] 408749634 IDTINOANGYHKKG-PKAZHMFMSA-N 455.470 4.549 50 40 JJGB O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)c1ccco1 408826830 LKQOGTZDGOTUQT-CVKSISIWSA-N 497.960 4.681 50 40 JJGB CCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1OC(=O)c1ccco1 409223515 IEMPUWRNBWYPJM-UHFFFAOYSA-N 497.507 4.914 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OC 409312512 LWJNWQHKFXTDEU-DICXZTSXSA-N 452.482 4.585 50 40 JJGB Cc1n[nH]c2c1[C@H](c1cc(COc3ccccc3Br)c(C)s1)C(C#N)=C(N)O2 1009144 KUVPCXDWSPXLBL-SFHVURJKSA-N 457.353 4.648 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 9187314 VKQUKVLXPRCYFG-SFQUDFHCSA-N 469.457 4.561 50 40 JJGB Cc1c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)oc2ccc(Br)cc12 13865317 DAEVVTQVBHLPHK-UHFFFAOYSA-N 452.264 4.502 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 15226985 BGXJDLQVGUXZJR-LSCVHKIXSA-N 463.877 4.690 50 40 JJGB COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 20259273 VAWJVWWZDDTWTE-UDWIEESQSA-N 486.503 4.571 50 40 JJGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28213692 NRVXJZQQDBTYKZ-VULFUBBASA-N 474.026 4.551 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3Cl)cc2)cc1 28213715 NVKRXELPIHVWAT-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)Nc1cccc(Cl)c1 28215571 LEHWQRSTCSJSNX-BRJLIKDPSA-N 487.299 4.683 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1Br 59034374 RBNUTMRCXBZSMB-DNTJNYDQSA-N 499.184 4.604 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 59401624 BTIDDOZXPOREGW-JVWAILMASA-N 463.603 4.574 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)NCc1ccccc1 408755667 SAGMTPMNRZLNAN-XSFVSMFZSA-N 490.357 4.690 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O 408794512 ISNHCHMGXWSZER-KPKJPENVSA-N 468.678 4.595 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408796371 NWUQVQBNKAUCCP-QGOAFFKASA-N 461.905 4.912 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC(=O)c1ccccc1 408886152 ILRYHOCXYKAIOW-CPNJWEJPSA-N 487.468 4.767 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccccc1F 409084199 XDLZOQYDBKCUOV-WGARJPEWSA-N 471.326 4.869 50 40 JJGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)o2)cccc1[N+](=O)[O-] 409152685 FZTXIUIKDNYKEI-BTSCWMHGSA-N 482.924 4.721 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 20058230 HDQGLMGQVFURAY-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1 20061165 UOFNFBPBPDXILZ-LGJNPRDNSA-N 494.375 4.863 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 209644351 CHKFUAFUNYAASX-WJDWOHSUSA-N 457.324 4.967 50 40 JJGB C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 408612991 YEHXXSPBCLQVAE-JZNDDVEWSA-N 470.356 4.900 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1C#N 408676082 DXVJDWHUSSTZML-NDZAJKAJSA-N 468.557 4.900 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(Br)c2)c1 408745393 RJOAHFUVTGBVHX-ZSOIEALJSA-N 475.140 4.968 50 40 JJGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C 408807533 COEAGCWGCRFEND-RGEXLXHISA-N 458.587 4.940 50 40 JJGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408994860 HIAHHJIWEWZEON-DICXZTSXSA-N 455.474 4.954 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1OC 409009639 HFPUDCPXSHPIHW-DICXZTSXSA-N 481.936 4.529 50 40 JJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Br)c2)c1C 409177362 FIRMPRJMXIRNOO-WYMPLXKRSA-N 485.338 4.846 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 409254481 DUIZRBRQCGTEBO-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(OC)c1 2053942 YCYWXZDLCNOKCT-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(CC)cc2)c(OCC)c1 4290907 DPDZEVCCHIZQJP-LTGZKZEYSA-N 451.519 4.882 50 40 JJGB CC(C)(Br)[C@@H](Br)CC[C@](C)(Br)[C@H](Br)CO 5940636 KNNMIDQUZTUBJU-XKSSXDPKSA-N 473.869 4.613 50 40 JJGB Cc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1Br 12289552 OPZQXTKVTUPSBJ-UHFFFAOYSA-N 482.812 4.575 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 13685576 AYBZKVMXMDBHIE-NTFVMDSBSA-N 492.988 4.680 50 40 JJGB Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(OCCC(C)C)cc3)c3ccccc32)c1 46085051 YJHKFZPPYQBWER-PNOGMODKSA-N 485.584 4.866 50 40 JJGB CCOc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 211038915 YXLQKYMGWFXAPI-XAYXJRQQSA-N 493.629 4.714 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409007321 NULOMXPVGXIOJT-OKCVXOCRSA-N 488.588 4.590 50 40 JJGB CCCCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 2345052 WYORRNLMBCBWLW-VYIQYICTSA-N 486.410 4.927 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 9972774 ZOLKABNJNWOPFH-UYRXBGFRSA-N 459.477 4.706 50 40 JJGB CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1 27563362 FJACNJJCBWRPEC-DPFHIXPQSA-N 487.556 4.818 50 40 JJGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 58918530 ANZKEXAMUFOZOD-MFKUBSTISA-N 488.034 4.716 50 40 JJGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccccc2F)cc1 108207237 AYMXOHLYVLJXIH-ZMFRSBBQSA-N 484.325 4.678 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OCC)c2)c(C#N)c1C 408546676 MJHBCQADXJZART-VIZOYTHASA-N 472.950 4.884 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)c1 408725423 OWFJOSNGEMJDFM-OGLMXYFKSA-N 454.530 4.937 50 40 JJGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1 409122755 BGGQKOJOXZPBMS-AFUMVMLFSA-N 476.385 4.891 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccccc1F 409127134 CXIHJOZSODAFHP-FQEVSTJZSA-N 454.889 4.707 50 40 JJGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 2494628 ZCPJSNAMIRSGSS-BTYIYWSLSA-N 451.320 4.666 50 40 JJGB N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428446 DHKCVUKEPOOQGD-SFHVURJKSA-N 489.326 4.863 50 40 JJGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 14166131 IVCIHIGAYOGVMM-JFLMPSFJSA-N 479.989 4.871 50 40 JJGB CN1C(=C(C#N)C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)N(C)c2ccccc21 18264262 TUJXZDWSUROSCL-UHFFFAOYSA-N 455.898 4.741 50 40 JJGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 39400750 VMIXYCMASOQFPB-NXUGVVLJSA-N 456.329 4.720 50 40 JJGB CC1(C)[C@]2(C(=O)Nc3ccccn3)CC[C@@]1(C(Br)Br)[C@@H]2Br 101051206 AYSYGAXXLZIKSF-NZVBXONLSA-N 481.026 4.706 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cc(Cl)ccc2C)cc1 408774002 VBZFABXVLSZTFP-VULFUBBASA-N 490.412 4.956 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c2cccc(C)c2)cc1 408826892 DLODKKXJTABDTF-RWPZCVJISA-N 489.519 4.668 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408851540 LAFUERDOOXSKQL-GATIEOLUSA-N 460.317 4.628 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408878996 DPOBFTZUDLIMEV-AFUMVMLFSA-N 493.368 4.924 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OCC 409312171 DQINFZKHYMMMQM-QRQIAZFYSA-N 476.529 4.915 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OCC 409315404 IQRZRYGMIYJHLD-YUMHPJSZSA-N 493.516 4.744 50 40 JJGB COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1O 409368445 VZWWIEAXGUCVDQ-SDQBBNPISA-N 456.077 4.832 50 40 JJGB N#C/C(C(N)=O)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 935151 VAEKGTIIXLFZRV-UYPHOHSBSA-N 452.750 4.558 50 40 JJGB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)n1 3279431 KHFWTZMSLJUXBA-UHFFFAOYSA-N 493.526 4.510 50 40 JJGB O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccc(Br)c1 9668320 TXUKIWUSDIKODP-WSDLNYQXSA-N 485.250 4.822 50 40 JJGB COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 12807793 LLVRWDHFFDRBNQ-HAVVHWLPSA-N 483.572 4.534 50 40 JJGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1 20059608 MWZFGLNPNCUCTA-DHRITJCHSA-N 496.803 4.992 50 40 JJGB Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CCOc3ccc(C(C)(C)C)cc3)c3ccccc32)c1 103041210 BELVIJLVHCBTGY-TVKQRKNISA-N 485.584 4.617 50 40 JJGB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br 113468530 GZDIUGDPVXTWLS-UYRXBGFRSA-N 498.406 4.770 50 40 JJGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408730065 FCKGTTLCKKHTMB-UVHMKAGCSA-N 462.962 4.743 50 40 JJGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 409212813 QPQQMPJDMSRGAJ-SXGWCWSVSA-N 475.295 4.762 50 40 JJGB C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N/N=C/c1cccnc1 694990 DJVJSOIZXKWSQO-HVAQTUQNSA-N 492.008 4.559 50 40 JJGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3ccc(C)cc3nc2N2CCCCC2)C(C#N)=C(N)O1 1221388 KUDUEEURNGRDNA-HSZRJFAPSA-N 460.578 4.957 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)c1OC 3175092 AQNSRTZTNOVKBU-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 3199716 FVHNXZDMTOTFPE-UHFFFAOYSA-N 455.893 4.668 50 40 JJGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(F)cc1 20232635 SENSYZRJSNZFLS-ZXVVBBHZSA-N 467.566 4.563 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1 20348500 VDQPHLMVTPRZKY-XMMPIXPASA-N 459.571 4.792 50 40 JJGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 28627723 IVXVNKIIPPGSRB-SANMLTNESA-N 498.608 4.972 50 40 JJGB COc1cc(C(=O)Oc2cccc(/C=N\NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC 32223230 LNQNHNHGOPJREG-RHANQZHGSA-N 490.556 4.993 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59335247 ABELNADRLHXVJY-AUWJEWJLSA-N 463.715 4.508 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409006014 GYXHLVFVVPPFGM-VULFUBBASA-N 496.361 4.548 50 40 JJGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NC1CCCC1 409187905 CUHWYESLBMDOMN-BOPFTXTBSA-N 470.323 4.902 50 40 JJGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 3075031 OGTXVHZKOQPPLO-BHGWPJFGSA-N 475.774 4.743 50 40 JJGB CO[C@H](C(=O)N/N=C/c1cccc(OCc2cccc(Br)c2)c1)c1ccccc1 3089669 UHRWDOWIQQUDGV-IBUSPFOHSA-N 453.336 4.866 50 40 JJGB N#C/C(=C\N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1nc2ccccc2s1 8665316 TWGMZRJSYHTIJB-OGCDXQGUSA-N 450.526 4.970 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9632701 KAOBJGRXJVBIRT-LGJNPRDNSA-N 451.313 4.516 50 40 JJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C 9647924 FSKONYOYPZTIEI-BKQORJHRSA-N 464.591 4.662 50 40 JJGB CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)NC3CCCCC3)=C2N2CCOCC2)cc1 12500733 CYLQYVAJQKKGMX-AQGLTECQSA-N 479.669 4.914 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 13923259 PCFPSDSUBGSRKK-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 20207134 WLLCGJJIAYCZSF-JJIBRWJFSA-N 476.023 4.754 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccc(F)cc1 32581107 ACPMAVNVEYWOCR-CCVNUDIWSA-N 484.911 4.935 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ncccn2)ccc1OCc1cccc(Cl)c1 59503043 KXXMBTYCVCTMFX-JZNDDVEWSA-N 470.982 4.739 50 40 JJGB C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccccc1 408613416 ZQECPPKJQIQQBE-NKZWWHGNSA-N 470.356 4.900 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCC#N 408746263 DFKONJFZOZJZAP-JYRVWZFOSA-N 491.139 4.668 50 40 JJGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Br)cc1 408852176 JBSKQCYPORABMO-XFXZXTDPSA-N 465.145 4.950 50 40 JJGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 408906272 FAYFOVIQJVUAGV-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408968747 YPOQJJBNEHOCHS-KKMKTNMSSA-N 482.855 4.610 50 40 JJGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3ccccc3Cl)c2)cc1C 409011447 HUESYAQMCOLMHC-VYYCAZPPSA-N 465.937 4.503 50 40 JJGB Cc1ccccc1C(O)(C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1C 1410626 BSXMDWNHRHDODJ-UHFFFAOYSA-N 495.535 4.826 50 40 JJGB Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)cc1 8823902 LLPJGQWJDJENET-UHFFFAOYSA-N 498.402 4.563 50 40 JJGB C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1 9428288 KXDJUASDNBJOPR-QRQIAZFYSA-N 488.638 4.959 50 40 JJGB COc1ccc(N([C@@H](C)C(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 19953810 VRIPGPTWTDWLBN-IBGZPJMESA-N 451.633 4.627 50 40 JJGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NCCC(C)C)=C(C#N)[C@H]1c1ccco1 20348205 WZGIEMJTWLYVDF-QFIPXVFZSA-N 479.602 4.571 50 40 JJGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)cc1 33803378 NKXZQKQRQIZEGF-ATVHPVEESA-N 457.324 4.960 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 59101601 FDSZVYBUXDPONO-CCVNUDIWSA-N 483.927 4.854 50 40 JJGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102542473 CVDZHTPRONRJPT-QFIPXVFZSA-N 462.531 4.879 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 108136626 KVDRSWRIJWKHRZ-AQTBWJFISA-N 491.931 4.920 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408544896 YIVUSJDLZMFBEB-ATVHPVEESA-N 455.470 4.925 50 40 JJGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O 408644007 GRLPXJBLDXQWIA-GOSISDBHSA-N 499.753 4.909 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 408879259 CMLXEUWLRNGNCM-LQKURTRISA-N 489.519 4.613 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OC(C)=O 408985872 YOIBXVPIOANPSH-NSIKDUERSA-N 463.715 4.891 50 40 JJGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1 409031727 KNTLRKSFEVCZPT-WPWMEQJKSA-N 452.539 5.330 50 40 JJGB Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 409064836 QEACYOWKZMNFMT-MUFRIFMGSA-N 493.523 4.621 50 40 JJGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 409267393 VJDDUYMTNDRHFR-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccco1 409410067 SWGLQJCVHXQRHX-UHFFFAOYSA-N 480.436 4.666 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3)n2-c2ccccc2)cc1 9086537 OSTHHTYVTAXEGN-ITYLOYPMSA-N 457.559 4.575 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1C#N 9204503 OMQYXDLNCAJENO-JFLMPSFJSA-N 478.346 4.601 50 40 JJGB COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 12629228 JCWFNZIXKOJINL-LQKURTRISA-N 459.502 4.667 50 40 JJGB biogenic C[C@H]1CCC[C@H](C)N1CCC(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 16044568 QRGXAXRGDSVFPA-ROUUACIJSA-N 464.997 4.969 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2F)cc1 19816715 MCIBRVJGMBUHFQ-OGLMXYFKSA-N 475.545 4.633 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cc(Cl)cc(Cl)c2)cc1 19926445 UUQRJMUCPYTXRL-UHFFFAOYSA-N 468.406 4.933 50 40 JJGB Cc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 35124130 WUGOINLEYIHEBA-MBTHVWNTSA-N 498.048 4.915 50 40 JJGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 108252218 UJUPIUHDJDEQTD-ZMFRSBBQSA-N 497.642 4.984 50 40 JJGB COc1cc(C(=O)N/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)ccc1I 208440195 DCGVWCCOJNAHEG-CFRMEGHHSA-N 489.357 4.695 50 40 JJGB COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)O)cc1OC 408583504 VECQSJIRYHPYLF-WLRTZDKTSA-N 497.139 4.756 50 40 JJGB Cc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1C 408691363 ZMVZGTFHDBRSET-SQDPYLFBSA-N 456.336 4.605 50 40 JJGB CC(C)n1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c2ccccc21 409169147 PAQYTFQYVUVPPP-FNYQFALQSA-N 482.540 4.572 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OC)cc3Br)cc2c1 409187103 MCDYGRIVNNZOBP-FMCGGJTJSA-N 461.312 4.765 50 40 JJGB O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 409195178 RZTORLFARHHOEV-ZMOGYAJESA-N 478.921 4.948 50 40 JJGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)sc2c1CCCC2 1453382 QBECIQIUJUINOK-UKTHLTGXSA-N 475.364 4.730 50 40 JJGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1 2738321 AAZCYJNLNOVAOI-AXWQKLLISA-N 471.557 4.748 50 40 JJGB COc1cc(C(=O)NNc2ccccc2)ccc1-c1ccc(C(=O)NNc2ccccc2)cc1 6907010 CYSOYYULKBKQRC-UHFFFAOYSA-N 452.514 4.876 50 40 JJGB Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)c3sc(-c4ccccc4)cc3N)c2Cl)cc1 9533195 CVGDMJULMYIJOV-UHFFFAOYSA-N 479.993 4.587 50 40 JJGB COc1ccc(C(C)(C)C)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 12276868 DCUPPLMIMFBUKM-KRWDZBQOSA-N 467.566 4.842 50 40 JJGB C[C@H]1CC2(CCCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32 22564444 RLIDMCYUAMGURR-OLRZCDJHSA-N 457.574 4.848 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658507 VHACSHYMRVKYNF-AREMUKBSSA-N 486.524 4.930 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 59254491 IIZUXZVZXKAFBY-SSDVNMTOSA-N 456.498 4.535 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 59536523 ZHDQBIIMJFHPHS-MFKUBSTISA-N 472.950 4.579 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(I)c1OC 408760821 AENWTSZOBIAPPK-ZVBGSRNCSA-N 493.128 4.769 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(=O)(=O)c1ccccc1 408788797 HIRQUWOUEJPLHN-SZXQPVLSSA-N 463.603 4.569 50 40 JJGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 408789198 KOWYJSNWHJKONQ-JFLMPSFJSA-N 479.989 4.871 50 40 JJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 408799637 HEQYIBOQXDYKPN-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/C=C/c1ccccc1 408862175 GAQOAEVQFKSFPE-LVNKZZSMSA-N 463.346 4.863 50 40 JJGB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NN(c1ccccc1)c1ccccc1 408999889 STRJAXQLRXVIIW-YKSBVNFPSA-N 451.592 4.558 50 40 JJGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1 409036177 AGGMULXRUWYHFQ-WPWMEQJKSA-N 452.539 5.330 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC 409185066 REVVXUVXOVYUOV-CFRMEGHHSA-N 473.323 4.931 50 40 JJGB COc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1OCc1ccc(C(=O)O)cc1 409186541 DMSJYTPXXPEKQP-STBIYBPSSA-N 468.509 4.818 50 40 JJGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409362225 IMULDXMYPGGCCF-WYMPLXKRSA-N 469.841 4.511 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 2414503 NQXYNQRYVQDICY-BMRADRMJSA-N 470.460 4.570 50 40 JJGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 3169775 SWQZBRPDGIWTRG-LSHDLFTRSA-N 478.686 4.800 50 40 JJGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)COc1ccc(C)cc1Br 15134614 QAGICTXSIWKJFS-WGOQTCKBSA-N 468.351 4.810 50 40 JJGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 59101595 RQQCZGSAAFUBLL-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1 59334764 RQQCBKKKXPDWDH-UYRXBGFRSA-N 472.326 4.594 50 40 JJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59678175 TXAONUPLBDUMMQ-WKULSOCRSA-N 498.539 4.662 50 40 JJGB C/C(=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)OCO2 96399248 ORLHASOLZXIJTD-RHANQZHGSA-N 463.493 4.883 50 40 JJGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1OCC(=O)O 108153468 WXFCBJGPNMWXBG-AUWJEWJLSA-N 456.296 4.560 50 40 JJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I 408742095 MYEQAWIRKDXOFX-JYRVWZFOSA-N 497.130 4.998 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OC(C)=O 408754731 HQDPABCVJXVRQB-NTUHNPAUSA-N 494.139 4.691 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 408777681 FXAXELLUOIFNNA-VFCFBJKWSA-N 493.629 4.728 50 40 JJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408904396 IWMDZHYPVMVJMI-ROTLSHHCSA-N 460.446 4.519 50 40 JJGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cccc(I)c1 409015536 RKFZKQNLWLZXMU-CIAFOILYSA-N 494.130 4.608 50 40 JJGB C[C@H](C(=O)N/N=C/c1cccc2ccccc12)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409029331 ZHLNELJFXWMMBX-WDMWBOBFSA-N 487.581 4.937 50 40 JJGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 409122080 YUIUBLMLXNYKAP-XIVOGXDVSA-N 475.614 4.882 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1Br 409179719 STQHUZMCRDODKS-FSJBWODESA-N 455.312 4.837 50 40 JJGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(Cl)cccc2Cl)c1 2736785 LDCZZBUZYYCQMG-SJOBBXTASA-N 498.366 4.932 50 40 JJGB CCOc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 9233719 ZEEBLNLTPKIJNT-UHFFFAOYSA-N 475.242 4.608 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 19949398 DXWTYWQZEZBHBR-HPNDGRJYSA-N 463.603 4.624 50 40 JJGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4cccc(F)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558612 WBWPVFCLVUCQMS-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 33560231 BJQCDVSHIMHWGS-WGARJPEWSA-N 467.909 4.837 50 40 JJGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 33699739 VSISGXPANHBFOT-YSMPRRRNSA-N 467.909 4.919 50 40 JJGB O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408640059 AEPTVQNZBPBXGJ-KSSFIOAISA-N 454.737 4.770 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCc1ccccc1 408750273 ZALICBFDEQWZGF-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408790702 QZQZDDGVGIMVEW-GZTJUZNOSA-N 485.334 4.745 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2OC)cc1 408889212 FNSYBFBJERJJCY-XDHOZWIPSA-N 487.468 4.685 50 40 JJGB O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409007633 YKTJFWJRWWMURN-OPEKNORGSA-N 456.732 4.788 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(I)c1O 409199299 CDXXYBGFGRVAQF-FBCYGCLPSA-N 481.142 4.546 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)n1 409237108 JABNBMGAGSBPBF-WKULSOCRSA-N 481.581 4.940 50 40 JJGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 8717776 QNLCERLHROCBNL-FBKQIBBUSA-N 475.339 4.578 50 40 JJGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 8817001 QPYJLLPNNCCCET-ZXVVBBHZSA-N 471.586 4.884 50 40 JJGB CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1)c1ccc(O)cc1 9076261 QQMCSVXQXHXTQL-SLEBQGDGSA-N 487.585 4.671 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1OC 9234485 XDAYDZCGUSHJEB-RCCKNPSSSA-N 485.540 4.966 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc(Br)ccc1O 12374711 ANSDPUDVALIDBF-UFFVCSGVSA-N 464.113 4.941 50 40 JJGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(I)cc1 20248128 QIIGTOXLHPYXOF-UDWIEESQSA-N 458.752 4.718 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558580 OWQSPILDXKOLNH-HSZRJFAPSA-N 473.529 4.661 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408818424 VKKJXLUXNTYJHH-OEAKJJBVSA-N 470.525 4.659 50 40 JJGB Cc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)o1 408970821 KTEBJJQIMFARIJ-UNBCSGRISA-N 488.371 4.540 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409008568 YACQLQZGXZATPB-XSFVSMFZSA-N 471.513 4.575 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OC 409325517 ZMGSLOHYDXNVAW-DICXZTSXSA-N 481.936 4.529 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1Cl 409337547 YWGOUIWPGHBHSC-MRXNPFEDSA-N 455.967 4.676 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 658011 LQLGRFMBEQFERD-SSDVNMTOSA-N 458.268 4.698 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 1210908 SPHTWAPRJAECHR-LFYBBSHMSA-N 484.133 4.853 50 40 JJGB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc12 3421990 XMBPRKDQMAOLSA-UHFFFAOYSA-N 473.489 4.533 50 40 JJGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 59336020 GMERWSSKZCKSAV-WTKPLQERSA-N 457.067 4.915 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 408605360 JWJDEWPEWXMBSS-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 408611639 RKENIQUUUVSJOC-LQKURTRISA-N 493.947 4.581 50 40 JJGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)NCc1ccccc1 409071530 GUSLYLZSRHSFLS-WOJGMQOQSA-N 487.364 4.984 50 40 JJGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 409170126 UDSLSYLHSINMPU-XYGFXTTESA-N 480.496 4.597 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409227660 ZZZDEGKXBATTNO-NBVRZTHBSA-N 461.905 4.912 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409238151 VZGCHNPNNBMXCY-MFOYZWKCSA-N 474.344 4.801 50 40 JJGB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc1 9381863 KVBNITYWDCUCJN-GOSISDBHSA-N 472.636 4.623 50 40 JJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1F 15230896 AJYXRSFAJOKWKT-PGMHBOJBSA-N 474.536 4.623 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)c1ccccc1 28213875 HKTUPBIAVPFZSO-UBXTYJAUSA-N 482.005 4.839 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)cc1 33738471 YMXVRRLADVFRFP-WSDLNYQXSA-N 458.337 4.916 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 40144510 VQSYTLZNYGIZDF-PXLXIMEGSA-N 456.498 4.997 50 40 JJGB CC(/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)=C\c1ccco1 100852618 SPAFBORVRACBJE-TWDUBYOBSA-N 458.543 4.585 50 40 JJGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408867673 MDUMWFJEAJSZMB-ISAGNRBTSA-N 492.000 4.950 50 40 JJGB CCOc1cc(OCC)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408904074 DIHMLDYVGYXWBF-JJFYIABZSA-N 476.283 4.665 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc([N+](=O)[O-])ccc2o1 408961207 BILDTJNMSBEGPB-LSHDLFTRSA-N 454.782 4.927 50 40 JJGB O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 409222392 CPAUTEQANGXRLS-YSMPRRRNSA-N 484.424 4.639 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 409247757 NQZZQQRHOJXVLF-FPJJECCMSA-N 457.486 4.967 50 40 JJGB Cc1ccccc1-n1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 1744940 ABUKZRRTEZITBR-JOARMNLUSA-N 499.552 4.510 50 40 JJGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)cc2OC)cc1 2658802 YTRAGRHPNNCPCO-OEAKJJBVSA-N 477.538 4.708 50 40 JJGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(I)c2)cc1 2771380 QWSPKLVEHYWIPX-NSMHLIOHSA-N 450.320 4.724 50 40 JJGB C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cccc1c32 22716130 IQEVPKFCSDMSDM-GUNSETOZSA-N 479.536 4.722 50 40 JJGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 28213623 QXCWRWXGACEQMJ-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 33389815 BOGAYCPYNXICHT-VYYCAZPPSA-N 469.900 4.659 50 40 JJGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 59401632 UOBRAVNONHIOGS-YZSQISJMSA-N 462.531 4.621 50 40 JJGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OC(C)C 107856304 TYRMFDGYYVVYMU-PXNMLYILSA-N 463.271 4.849 50 40 JJGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 408727887 YQJVMHAZPDPBES-OGLMXYFKSA-N 452.514 4.707 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 408810265 IMVBNHWHYWENJL-JAIQZWGSSA-N 463.921 4.678 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 409026419 OLCNPAIJBKFARO-CVKSISIWSA-N 490.412 4.901 50 40 JJGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(C)C)c1 409156383 NOXGCYCFOBJLCU-QNDNQQOJSA-N 481.936 4.511 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)cc1 409186880 JBGGZWXYPFHJFJ-QFEZKATASA-N 470.367 4.784 50 40 JJGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409223884 HEHFRSXGAUYZNW-MSXFZWOLSA-N 458.257 4.885 50 40 JJGB N#C/C(=C\c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12)c1nc2ccccc2[nH]1 9187219 OHNDQVHCJCBSGO-GZTJUZNOSA-N 461.481 4.949 50 40 JJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(I)o2)c1C 9263110 FYWXARONAGYWPW-IZZDOVSWSA-N 471.092 4.809 50 40 JJGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)COc1cccc(Br)c1 9665852 GAWVAKGOMRJFIV-YSURURNPSA-N 496.192 4.838 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9833635 IBKHKDAFCZDMFV-XNTDXEJSSA-N 476.401 4.555 50 40 JJGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28213730 LWVGDDZKGAXDNR-VULFUBBASA-N 474.026 4.551 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33672069 JPROBAVYEDOIBJ-GTWSWNCMSA-N 461.521 4.523 50 40 JJGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)Cc2ccccc2)cc1 59443949 AYPOUQOJOACRBI-UHFFFAOYSA-N 485.650 4.595 50 40 JJGB COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O 106173886 RCEJEPHMAPGIPZ-DICXZTSXSA-N 459.502 4.744 50 40 JJGB CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1 408780893 MSVGLANBDHBRTJ-SGWCAAJKSA-N 493.629 4.692 50 40 JJGB O=C(NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1 408838172 CPAWVCSTVGMMRL-UHFFFAOYSA-N 494.916 4.790 50 40 JJGB Cc1ccccc1COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 408881540 LQKAQMLBINJNPV-TWKHWXDSSA-N 450.538 4.960 50 40 JJGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1 409002686 WGBLCZSHYGJBFF-RPPGKUMJSA-N 474.344 4.717 50 40 JJGB COc1cccc(/C=N\NC(=O)Nc2ccc(Br)cc2)c1OCc1ccc(C(=O)O)cc1 409186861 IVBDDUVTKWIFAY-MXAYSNPKSA-N 498.333 4.891 50 40 JJGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1 409318938 YXYPCWVKQNNEBE-LJQANCHMSA-N 451.617 4.990 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1 409345641 MMNYNRDZLLMBEG-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3075056 OLPXYKKBPAFHKN-FOKLQQMPSA-N 472.295 4.763 50 40 JJGB Cc1cc(Br)c(OCC(=O)N/N=C/c2ccccc2Cl)c(Br)c1 3148306 WWBZDEYYHHTSJL-DNTJNYDQSA-N 460.553 4.703 50 40 JJGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(F)cc2)cc1 3166466 OBGAXDSSMFQFLO-OUPLGOGSSA-N 458.537 4.593 50 40 JJGB COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 31906053 BSJIBBQUPLSBSE-WGARJPEWSA-N 464.978 4.989 50 40 JJGB C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(\C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 136460740 OJCKRNPLOZHAOU-RSXXJMTFSA-N 489.653 4.636 50 40 JJGB in-vitro CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(OCC)c2)c(C(=O)OCC)c1C 408546717 NUBVKWIJJKEKIL-GZTJUZNOSA-N 485.558 4.536 50 40 JJGB CCOc1ccccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650252 MAMCQRIXNMSHOH-JXFKEZNVSA-N 464.345 4.515 50 40 JJGB COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1I 408745884 APPFVHZOHYAJPN-CFRMEGHHSA-N 487.341 4.780 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2Cl)cc1 408778962 NRTDZGUHQKDJOP-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C#CCOc1c(Br)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 408806924 BOSUUVYVYWXGRZ-WPWMEQJKSA-N 477.358 4.752 50 40 JJGB COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)ccc1OC(=O)c1ccco1 409226180 SQMYPTHMXOSGBJ-UHFFFAOYSA-N 497.507 4.832 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Br)cc2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1 409318337 VRZASTSIDAOWDR-CQSZACIVSA-N 494.773 4.952 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 409318806 ZSSLJKJRYHMEBI-NTFVMDSBSA-N 493.947 4.695 50 40 JJGB CC(C)(C)[Si](O[C@H]1[C@H]2C[C@H]3C[C@@H](N2)[C@H]1N(Cc1ccccc1)C3)(c1ccccc1)c1ccccc1 953000555 CDMMGZKAVLWRCB-CXXSABEWSA-N 482.744 4.566 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1 2309729 KPWPZHFWIPWWKB-DEOSSOPVSA-N 459.571 4.805 50 40 JJGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 3115524 AQWDDAXZWINHTL-KIBLKLHPSA-N 450.709 4.787 50 40 JJGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 13337803 NTXJUAGWTYWUQP-DHRITJCHSA-N 477.567 4.816 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 59382999 MRYGBHOJEPAHSG-TURZUDJPSA-N 493.629 4.828 50 40 JJGB COc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccc(OC)c(OC)c2)cc1 101673920 RAMYPUBFSIHMBK-SJORKVTESA-N 458.146 4.795 50 40 JJGB CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408725713 NDSVWJYUCZBCBO-YBEGLDIGSA-N 476.314 4.807 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408892269 YIHMWKVABMYNJE-LFIBNONCSA-N 483.889 4.562 50 40 JJGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408969980 YFEUPZMGEHTFAS-SQEMJAKJSA-N 481.980 4.968 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C 409016121 UQENBEKHRSBOQA-STBIYBPSSA-N 467.525 4.938 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCc1cccc(C(=O)O)c1 409234545 LMVZILWCLXLBEV-JYBCESJWSA-N 456.498 4.757 50 40 JJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)ccc1Cl 409261773 AZDBWMOOJMMXBU-WSDLNYQXSA-N 452.985 4.813 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 409267291 ULZDUIILMOEMSL-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB COC(=O)c1ccc([C@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1 409337585 ZJJJXPLFMOYLNF-QGZVFWFLSA-N 457.349 4.508 50 40 JJGB O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N/c1ccc(Cl)cc1 3117218 NQIQZMYSGFJJGN-FOKLQQMPSA-N 469.793 4.824 50 40 JJGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1OC 9399181 BYYVTSBUXZJTBO-NTUHNPAUSA-N 487.169 4.567 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 26571012 GAOUDIWHFNLDFA-MFKUBSTISA-N 454.368 4.832 50 40 JJGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 33527499 MHLOGIPHJAFLMR-OPEKNORGSA-N 486.435 4.687 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c(OC)c1 33762282 CCYDBTPAGYCNSV-VULFUBBASA-N 499.361 4.818 50 40 JJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38650347 UCAFMXMGPDLLPC-RUZDIDTESA-N 456.498 4.920 50 40 JJGB O=C(O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc32)c1 408676734 MWNVKWQPJMZZHP-STBIYBPSSA-N 466.541 4.752 50 40 JJGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408759959 OXIIGCQEFFQMLX-DNTJNYDQSA-N 474.536 4.554 50 40 JJGB O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904720 NOBLKSCFQWRVJA-CFRMEGHHSA-N 460.402 4.592 50 40 JJGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCCCC2)cc1 408962493 YOUMNFZYPOTETF-QRVIBDJDSA-N 495.215 4.731 50 40 JJGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c1 409000561 TYPIUIQIYILYTQ-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409007969 SOEJIYHPSQVDHY-JJFYIABZSA-N 485.584 4.573 50 40 JJGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2cccc(F)c2)C2=C1CC(C)(C)CC2=O 409133757 RJIYQPCPPPKREW-RUZDIDTESA-N 475.564 4.787 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCCOc1ccc(Cl)cc1 409206103 HQJLGEFZXMCEML-YGYFLSRZSA-N 463.921 4.564 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nnc2-c2ccccc2)cc1 1478238 FXVMQZNJNHVMLR-ZVHZXABRSA-N 463.588 4.555 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(CC)c([N+](=O)[O-])c2)sc2c1CCCC2 3354754 BUGFPRDJQUWYPQ-LFIBNONCSA-N 453.520 4.820 50 40 JJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1C(=O)O 9850205 PFKGZNYJFBPQEC-STZFKDTASA-N 452.514 4.540 50 40 JJGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1I 12555970 KXFZIYYLIIXRIJ-RVDMUPIBSA-N 484.249 4.795 50 40 JJGB O=C(N/N=C\C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1ccccc1 38534891 PWHPHVUZXVNBGR-UXMDHSOWSA-N 497.554 4.653 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1 408607457 DADNOLWBYXSDOR-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408789320 IZRVGKADSYVKIO-SFQUDFHCSA-N 469.335 4.804 50 40 JJGB CC[C@H](C)Oc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408940147 JEHSWPKBKQMZKI-JFVYAULHSA-N 492.313 4.987 50 40 JJGB C[C@H](Br)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3125965 CXGNUMLUNZHOEQ-VIFPVBQESA-N 452.157 4.516 50 40 JJGB COc1cccc(/C=N/NC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1OC 3174961 UHCSFRMQDXEPOM-AFUMVMLFSA-N 469.335 4.809 50 40 JJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1I 12555971 XAAMKNLMNIKZLQ-XYOKQWHBSA-N 483.103 4.608 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(F)cc1 22819995 VCOQUUAEAGUORQ-FQEVSTJZSA-N 499.340 4.816 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2OC)cc1 35046053 FPBISMRDZWGZSE-KGENOOAVSA-N 485.540 4.884 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1cccc(C(=O)O)c1 59250027 LSOVVZMHNKHAIL-STBIYBPSSA-N 468.509 4.818 50 40 JJGB N#C/C(C(=O)Nc1ccco1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 223812912 KXXVUMJDAOMOTJ-MNDPQUGUSA-N 451.269 4.650 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1 408885752 AFCGUSIALZCEJS-SFQUDFHCSA-N 468.918 4.667 50 40 JJGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974391 ZAKLMAKAFPNGNZ-YABZZONLSA-N 463.990 4.921 50 40 JJGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1 409254415 DNWJINIAPAYVHG-KBEKLNEQSA-N 475.976 4.985 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OC 409366744 XVOLYZCAZUWSJH-YSMPRRRNSA-N 483.362 4.738 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(O)c1 409390960 GJKVAJRQUAYMIU-ZMOGYAJESA-N 455.308 4.506 50 40 JJGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C\C3=CC[C@H]4C[C@H]3C4(C)C)cc2)cc1 585139651 PUTMZEMQPVKZET-IGRVIEPFSA-N 467.591 4.594 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cncc(Br)c1 2744385 LFVHSYBGOQKKIA-BHGWPJFGSA-N 489.167 4.950 50 40 JJGB C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)COc1ccc(Br)c(C)c1 14921934 QQWHACAAGJWFEL-WYMPLXKRSA-N 487.181 4.964 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1Oc1nc(Cl)ncc1F 16157696 RXIANFHFUMXHKD-PGGKNCGUSA-N 479.693 4.596 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c2)cc1 20248694 ZUIQBNUHHLUKCZ-YBFXNURJSA-N 491.475 4.553 50 40 JJGB COC(=O)N/N=C(/C)[C@H](CN1CCCCC1)[C@H](C1=C(O)c2ccccc2OC1)c1ccccc1 104296160 AEKMAVFCRPYIEQ-RBSZXLRXSA-N 463.578 4.966 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCCC2)cc1F 408569528 OLDXFODFRIWFTE-MFKUBSTISA-N 459.612 4.824 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl 408789229 HRAZPUSHSQWOCT-CXUHLZMHSA-N 491.327 4.658 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccc(C)cc1 408891839 WAIGLEKESSMXAO-QGOAFFKASA-N 482.945 4.970 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(Cl)cc1 408893510 GPVPIUGMJMJJIQ-LDADJPATSA-N 476.872 4.812 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OS(=O)(=O)c1ccc(C)cc1 408893750 HHOZXLGGGPLUIT-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1)c1ccccc1 408980019 PNRWTEZCWGXFMY-FOBKEZNCSA-N 489.572 4.910 50 40 JJGB N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 3291737 YKEPZBLVCCJBQT-XYOKQWHBSA-N 466.324 4.772 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 8812645 ZYMUEYMJQYAWLL-SSDVNMTOSA-N 458.268 4.698 50 40 JJGB C/C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C)nc2c1c(C)nn2C 22708102 PVGWUKAZPDUXAN-VAGCLOCRSA-N 472.431 4.815 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58911896 RMXMKDGPKYNXMG-PBEVGHANSA-N 457.361 4.728 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1 408782653 ILJJWOUSVVTBSQ-NVMNQCDNSA-N 487.350 4.557 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OC(C)C 408945276 NSJZJZJNEMGRHF-FMCGGJTJSA-N 492.313 4.987 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)OCO3 409095743 IQJNKCPJJJVHPF-HSZRJFAPSA-N 477.860 4.774 50 40 JJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1OC 409319485 HAFJKDCZQVOJJW-DICXZTSXSA-N 452.482 4.585 50 40 JJGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)cc1O 716431 DFOIXYTXEXPFMC-OAQYLSRUSA-N 484.325 4.607 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(C)cc1 4196392 DQSBOIMPOAIKBA-DHRITJCHSA-N 454.324 4.504 50 40 JJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccc(Cl)cc2)cc1 9272568 QLJLTECXBPGLCJ-VULFUBBASA-N 477.977 4.844 50 40 JJGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 32929266 GGSQQPXWXGPZOB-QFEZKATASA-N 467.319 4.506 50 40 JJGB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C2 102142767 FEFDTVMXLOZPMG-RBISFHTESA-N 491.593 4.889 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c(C#N)c1C 408547144 RXRCJGMYSKUYQY-XNTDXEJSSA-N 474.494 4.782 50 40 JJGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408778333 DTABTODMBIWNQC-YZSQISJMSA-N 473.957 4.523 50 40 JJGB N#C/C(=C\C1=C(Br)[C@H](O)[C@@H](Br)C=C1Br)c1nc2ccccc2[nH]1 409337278 ZBKBWLMMWRZCMZ-IUHZURBISA-N 499.988 4.536 50 40 JJGB COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)cc1 409377270 HHTROAWHRLJTKM-STZFKDTASA-N 455.514 4.875 50 40 JJGB N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)[C@@H]2CCCC=C12 663550 SSIPYSVUQFZIQN-ZBLYBZFDSA-N 465.944 4.635 50 40 JJGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2cccs2)nc2ccccc12 3202432 LLOYBWMNRPDZCX-FOKLQQMPSA-N 452.879 4.994 50 40 JJGB CC/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\CC)c2ccc(OC)cc2)cc1)c1ccc(OC)cc1 8398774 LLWLFPPKFMOQME-XDHTVYJESA-N 486.572 4.792 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Oc2nc(Cl)ncc2F)c1 9234495 XFUCSJVVBBEQHG-NTEUORMPSA-N 454.845 4.624 50 40 JJGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1C 13759213 CTZYFGKKGDCLGH-PXLXIMEGSA-N 464.525 4.635 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926203 RPCJXCXMBMHPGI-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)cc1 20198175 BRBFJUUGTUXXMB-SRZZPIQSSA-N 470.161 4.773 50 40 JJGB CCCOc1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27224952 DVIQFHVYYXDHAK-LSYYVWMOSA-N 493.611 4.800 50 40 JJGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 28214538 BLJCYVKWIFGZHX-JNWIWMBKSA-N 475.614 4.715 50 40 JJGB COc1cccc(/C=N/NC(=O)c2csc(-n3nc(-c4ccccc4)cc3C(F)(F)F)n2)c1 33527498 FFZHRDVEIDYISH-RPPGKUMJSA-N 471.464 4.787 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1ccc(Cl)cc1 59472950 DWEOVNDBZMNQIM-OGCGYOKDSA-N 466.921 4.608 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccccc1 408724572 FRBFPDSRHCPSAG-VULFUBBASA-N 468.351 4.773 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCc1ccccc1 408776130 MEZJFTUOOYCAQO-ZDLGFXPLSA-N 490.341 4.700 50 40 JJGB COc1cccc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OCC#N 409400639 DVBWKQQRTCTHJS-UHFFFAOYSA-N 498.539 4.941 50 40 JJGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 8702921 WSGFQNQPVFMIIY-KRKVXHQISA-N 479.584 4.935 50 40 JJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1C 8812771 NOAJMVDKUXSZHP-VULFUBBASA-N 498.377 4.806 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3)nnc2-c2ccccc2)cc1 33342153 JIANZGCPBMJTOJ-NLRVBDNBSA-N 457.559 4.575 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(F)cc1 59445039 IVMDFQWPCHUHQR-DHRITJCHSA-N 457.299 4.940 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59533961 REZDTHJMOVIONY-FSJBWODESA-N 470.825 4.721 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 408760893 APRNBTHZPYFOCC-CVKSISIWSA-N 451.910 4.520 50 40 JJGB COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 408987463 OUWACGFPLNEHOT-XGICHPGQSA-N 497.676 4.716 50 40 JJGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409006069 LOKHRAVXMILWDY-MZJWZYIUSA-N 470.356 4.855 50 40 JJGB COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)c1 409013759 VFFMEUYRKXXLFV-AWQFTUOYSA-N 499.102 4.572 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OCC 409324914 WIGZRGGQDWZSFX-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 6431829 JKXYQONSMFBTRL-VULFUBBASA-N 466.335 4.539 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1 8856274 ZJAQTWGVBYXXKU-YZSQISJMSA-N 452.555 4.802 50 40 JJGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccccc2C)c(OC)c1 13881205 MWNJXCMOQVHPBG-GZTJUZNOSA-N 460.324 4.694 50 40 JJGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 19940230 GETYVBSJCQPKHE-OAQYLSRUSA-N 471.966 4.954 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240679 PLJKXPQRXCEDOO-MWAVMZGNSA-N 454.618 4.971 50 40 JJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 20764071 DEHDNQOXSAHBBK-WSDLNYQXSA-N 458.268 4.780 50 40 JJGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651449 ZSBADRLKXROKFZ-JOCHJYFZSA-N 477.314 4.895 50 40 JJGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 58913642 LOAGAKHJEANXCN-RPPGKUMJSA-N 489.359 4.507 50 40 JJGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408606773 AXNPTNJFCJJHCW-CVKSISIWSA-N 480.362 4.679 50 40 JJGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 408611697 RRJPXHKHJBFBNX-JVWAILMASA-N 465.937 4.797 50 40 JJGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OC 408691828 SLBASHCOSREVSY-NVNXTCNLSA-N 459.287 4.655 50 40 JJGB COCCNC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 408807780 KZSVUYVFQMHJTF-XMHGGMMESA-N 465.347 4.851 50 40 JJGB COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1c(C)ccc2ccccc12 408873140 NNEWWGHRPMBSBV-RQZCQDPDSA-N 451.320 4.891 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OC(C)=O 408982443 HAAUQQCDHJCPOE-VGOFMYFVSA-N 463.715 4.891 50 40 JJGB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(SC#N)c1O 409044529 VTICNJSBJZZRNO-UHFFFAOYSA-N 471.494 4.557 50 40 JJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409129676 VVRMSTACFZNTAI-OAQYLSRUSA-N 451.866 4.642 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCCOc1ccccc1Cl 409195040 OURBREIOECBFAP-ZKQTYJKJSA-N 463.921 4.564 50 40 JJGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 9311557 JYSULVJSSQEDBI-VZUCSPMQSA-N 470.106 4.765 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3)n2-c2ccc(C)cc2)cc1 9762987 RUCUDPATRUWCOD-DIBXZPPDSA-N 471.586 4.884 50 40 JJGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 16712452 DKFLSZMVAYPTIK-LGJNPRDNSA-N 483.380 4.935 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccc1[N+](=O)[O-] 19849134 IWLLOELUUJAXIV-MXAYSNPKSA-N 479.949 4.889 50 40 JJGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Oc2nc(Cl)ncc2F)cc1 30738288 OEFKPQCORHJQMT-OPVMPGTRSA-N 473.942 4.914 50 40 JJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Br 408756235 YHCKOFBMGPIERE-MDWZMJQESA-N 497.130 4.998 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(Br)c2)c1 408760005 PUVFJGYKWLFJCX-AWNIVKPZSA-N 494.139 4.691 50 40 JJGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)OCc1ccccc1 408998565 BJHCPCLUBRRXPF-RJEICEEESA-N 491.551 4.704 50 40 JJGB CC(C)[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409174730 OILPBNJWIBDTFS-VFHZOOBCSA-N 488.632 4.771 50 40 JJGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl 409261097 BBZLBLNSLIDNAM-MXAYSNPKSA-N 486.753 4.884 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OCC 409325422 YLSYOALJOUTEHT-NTFVMDSBSA-N 466.509 4.975 50 40 JJGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3Br)=C2C#N)cc1 639235 KAHXRIQPMBNRCU-MRXNPFEDSA-N 470.392 4.777 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 1896149 QOMJLQPPXGJKHD-MFKUBSTISA-N 451.596 4.514 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nc3ccccc3c2=O)cc1 2231106 IVBRAXJJYVLCKL-STBIYBPSSA-N 494.576 4.790 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 9086486 OMBGVWICPBJBNJ-ITYLOYPMSA-N 457.559 4.575 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1OC 9109490 AKIADRAATNKKQT-FQEVSTJZSA-N 487.581 4.958 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl 28911835 FVXNSWAOSIFMNB-ZKTNYTPDSA-N 458.917 4.659 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCc1ccccc1 33598125 GZXLJKLIHIEKIU-QFEZKATASA-N 469.335 4.896 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc(Br)cc1 33650885 YJIUHGCUGWFKGX-OYKKKHCWSA-N 468.307 4.629 50 40 JJGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 33659764 GIEBYHXGKLFMGN-DHRITJCHSA-N 451.548 4.505 50 40 JJGB CCn1c2ccccc2c2cc(/C=N\NC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)ccc21 36046693 RJAVNUXZLAZRHU-SDEVNZIBSA-N 460.603 4.710 50 40 JJGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408612312 UYBUVBOHGRQMNJ-MUFRIFMGSA-N 463.965 4.809 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408612702 XDPPCJPKJKKNJP-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB CC(=O)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 408759930 OIWDCDIHKNOEGN-JYRVWZFOSA-N 464.113 4.683 50 40 JJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1C 408966274 ZDLQSWXMNQEQHE-XODNFHPESA-N 457.452 4.972 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC 408970986 CDHKKRHGRFKNBJ-FSJBWODESA-N 461.312 4.765 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 409143635 MVVZDBAHWJQAIY-QFIPXVFZSA-N 467.928 4.797 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCC(=O)Nc3ccccc3)cc2c1 409187119 MHCCXPQFUXHIMJ-YUMHPJSZSA-N 457.486 4.613 50 40 JJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1C 409322189 JEQPJZOZFCBQIP-GOSISDBHSA-N 470.392 4.777 50 40 JJGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccccc1Cl 409362748 KAAYTDKVYPSUDU-YDZHTSKRSA-N 451.013 4.964 50 40 JJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1Cl 2161641 DSAQDOCUIFBFGR-FOKLQQMPSA-N 461.699 4.913 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2276401 XEQXCXPZWPJGHU-OVVQPSECSA-N 471.586 4.966 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 3090290 MUAVMYXOVABZTQ-OKCVXOCRSA-N 471.488 4.769 50 40 JJGB O=C(CNc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 6473728 YKTHXJJNOJLBBZ-LGJNPRDNSA-N 486.753 4.884 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 9345105 HDFUTYOXSLDHCM-HMMYKYKNSA-N 450.498 4.958 50 40 JJGB COc1ccc(CCNC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cc1OC 16436292 FOSWWLRKRMEGSR-CPNJWEJPSA-N 499.398 4.830 50 40 JJGB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](CI)S1 36625072 FDLHCSHJDRGWCX-JSGCOSHPSA-N 454.358 4.574 50 40 JJGB O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1 105985085 RTCLXLKMCZNXCU-FBCYGCLPSA-N 454.689 4.695 50 40 JJGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O 408783515 MGBDWQDDQJCZKH-JFLMPSFJSA-N 495.988 4.571 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 408888819 BHRIDYZAWSIVSA-XDHOZWIPSA-N 488.456 4.945 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccccc2)cc1 1478316 LUUQJWVSQPIHSF-ZVHZXABRSA-N 463.588 4.555 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F 2053938 WPEOJUACNOBDAC-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccccc1OC 2310320 GRBOEEOQEYRHBF-PKTZIBPZSA-N 493.585 4.652 50 40 JJGB O=C(N/N=C/c1cc2ccccc2nc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1 8434881 RTZRDKCTYPFQLP-IKCALLGASA-N 460.946 4.871 50 40 JJGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 13387971 ZLZPJQUASNRSED-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 19937030 XFKWUPGNNHMEHZ-KOEQRZSOSA-N 498.402 4.594 50 40 JJGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20238313 LGSMFFXITGXQKQ-INIZCTEOSA-N 462.413 4.805 50 40 JJGB COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)c1 38680172 HENCIVIQBQEMKD-NRFANRHFSA-N 450.853 4.925 50 40 JJGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 40138191 FCMGLGLZJKAILI-OVXWJCGASA-N 493.563 4.863 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 59332852 RAFXVDLRCFUNRZ-BWAHOGKJSA-N 467.569 4.838 50 40 JJGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 408677000 OILCJQMTFHTCSE-PCLIKHOPSA-N 472.383 4.777 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1 408691793 QGBMYUQIQKIVPG-VULFUBBASA-N 469.383 4.818 50 40 JJGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Cl 408747668 RHFQCFLSIMTFGK-ZVBGSRNCSA-N 493.128 4.769 50 40 JJGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1 408766855 SZRSRLPLFHKIDO-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 408785588 HSTYMKMELXTIHE-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 408787979 HXWYZZZZGLRYLI-RIYZIHGNSA-N 460.284 4.700 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 408885757 AGGOCYALVQXVOJ-LDADJPATSA-N 491.297 4.912 50 40 JJGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1 408995810 NMHVGLJHJYURJH-BUVRLJJBSA-N 470.310 4.563 50 40 JJGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 409184235 JJONCJBYPGKKKU-DHDCSXOGSA-N 464.157 4.786 50 40 JJGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)SCCS1 409366571 WIOTXGABRROKPI-ZMOGYAJESA-N 490.448 4.936 50 40 JJGB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 705914 SYNFBKRRCBPDBJ-OAQYLSRUSA-N 495.004 4.949 50 40 JJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)o2)sc2c1CC[C@H](C)C2 1452888 OQTXCCDZQXOSFT-UTEVDWOZSA-N 463.353 4.951 50 40 JJGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 8780768 FJMKZCPBPFPSAB-OVVQPSECSA-N 458.518 4.749 50 40 JJGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc(Br)c1O 9910493 DDKWPGLQPFMTFN-HNNXBMFYSA-N 490.354 4.522 50 40 JJGB Cc1cccc(C)c1OCC(=O)N/N=C\c1ccc(-c2ccc(I)cc2)o1 13477522 SFALHBSYZIQRTN-FMCGGJTJSA-N 474.298 4.697 50 40 JJGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240674 IGSHTANBUULHIG-VUTHCHCSSA-N 455.558 4.603 50 40 JJGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408543190 NEOXZEKIKSBTKK-OCKHKDLRSA-N 476.872 4.861 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)c(C#N)c1C 408546681 MMFRPCOPHNHMMK-RQZCQDPDSA-N 452.532 4.619 50 40 JJGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408725535 JVERZEIEWIGMRQ-ZSOIEALJSA-N 460.284 4.700 50 40 JJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408766485 UTJNJSBUTJGLEW-QNGOZBTKSA-N 453.498 4.761 50 40 JJGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 408988754 FUKWUICVMKRYRG-AAGJOFLKSA-N 466.544 4.558 50 40 JJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 3204964 IYUGWOORZUQYHD-AFUMVMLFSA-N 466.950 4.694 50 40 JJGB CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C(C#N)=C/c3cc(C)n(CCOC)c3C)ccc21 9672387 NZDCRBZEVRFANQ-PXLXIMEGSA-N 498.583 4.968 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1C#N 9805570 KGCIFKOHJSKJMU-DEOSSOPVSA-N 487.899 4.746 50 40 JJGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 20157789 PZZBOYGIKVODFN-NJZRLIGZSA-N 469.585 4.982 50 40 JJGB COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 33665798 KCZCEYFBYWBCCC-MXAYSNPKSA-N 466.563 4.897 50 40 JJGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(C(=O)O)cc1 100201101 WXIHRGOLZYIVHD-JMIUGGIZSA-N 478.508 4.981 50 40 JJGB Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc32)cc1 408677409 QKORQEDJXNELMT-UXHLAJHPSA-N 479.584 4.953 50 40 JJGB COc1ccc(C(=O)N/N=C(\COc2ccc(C)cc2)c2ccc(Br)cc2)cc1 408734502 VSFNXYHRKMLMQJ-YYDJUVGSSA-N 453.336 4.979 50 40 JJGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 409108221 SKPUZMHEXWCRFH-WJDWOHSUSA-N 456.340 4.612 50 40 JJGB CC[C@H](C)Oc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409190048 VHNWIMMKFDGAGP-JHAVZTMOSA-N 486.737 4.894 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1 409194981 OAIDPBPAGIZHIQ-NQLRXCNRSA-N 478.346 4.794 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 409259970 INAWANATWYHTBI-JCMHNJIXSA-N 483.524 4.653 50 40 JJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccc([N+](=O)[O-])c1 9291787 ZVZHSNAXLDHXMD-QFIPXVFZSA-N 465.469 4.782 50 40 JJGB N#CC(C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1)=C1Nc2ccccc2N1 9635208 SQOMMMOZQOUHFS-UHFFFAOYSA-N 498.543 4.919 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OC 12275987 DYAFUJJYYCPSJP-MHECFPHRSA-N 470.978 4.781 50 40 JJGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 16479477 XLCZSWOMQRIWHV-ZTKZIYFRSA-N 499.592 4.820 50 40 JJGB COc1cccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1OCc1cccc(C(=O)O)c1 32101819 FILUUPQVYKCFPX-HZHRSRAPSA-N 495.535 4.720 50 40 JJGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(Br)ccc3O)c(-n3cccc3)c12 96336486 ILJKJZDFEZEUPU-BHGWPJFGSA-N 499.390 4.774 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2F)cc1 108105619 GWDDZOJSABSNDR-XDJHFCHBSA-N 459.477 4.788 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 408609521 KBXAAAUZTNOYKW-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br 408675791 AZODMWJEVXPGHN-YDZHTSKRSA-N 495.215 4.974 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(I)cc1 408804574 AWTRGAWCFURNOE-RCCKNPSSSA-N 495.364 4.965 50 40 JJGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 409184394 KYCDFQAYAMAOKW-TURZUDJPSA-N 493.629 4.828 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1 409319922 NQDWJGHANDMKAW-INIZCTEOSA-N 455.967 4.622 50 40 JJGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1CCc1ccc(S(N)(=O)=O)cc1 584906221 DYWDVCIOYUKWPI-UHFFFAOYSA-N 462.600 4.587 50 40 JJGB C#CCOc1ccc(Br)c(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c1 2750929 FRFLXMODVDGJCQ-WGOQTCKBSA-N 463.331 4.804 50 40 JJGB O=C(Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1Br 3084797 JNFYHHYJWMTKNF-VULFUBBASA-N 461.319 4.947 50 40 JJGB C[C@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl 6177337 CJIRCQLSUKSMNK-IAJLJQDKSA-N 463.899 4.887 50 40 JJGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)N=C(O)[C@@H]2C(=O)OC)cc1 9088806 HCPKACSRFAFNHI-FCHUYYIVSA-N 493.585 4.652 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 12362692 IYQVPDMRIOLQMI-REUXIKODSA-N 492.357 4.557 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 19953414 NLDAOCSYHPHJNO-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 27563629 CDSUHUGGWPGQEZ-HEHNFIMWSA-N 476.573 4.966 50 40 JJGB CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)/c(=N\NC(=O)c3ccccc3)oc2c1 35104228 PUSHQGOGZOAKSC-KDJFERLWSA-N 454.530 4.777 50 40 JJGB CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 35144047 YLMJYRBNLCZMLG-ZMOGYAJESA-N 457.324 4.782 50 40 JJGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408565798 AOMDZSXZMCXTHZ-KMKOMSMNSA-N 450.651 4.645 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1Cl 408972714 VJLQQPMHMOMHEC-BRJLIKDPSA-N 487.785 4.907 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccc(F)cc2)cc1 409060233 ZWXSKHMDWJEEBE-LQKURTRISA-N 481.593 4.599 50 40 JJGB COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1OCC(=O)Nc1ccc(F)cc1 409244827 JFLQEELFLZNDJB-AFDUHFSSSA-N 473.504 4.636 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409260088 KLTVLANDWXGPOK-WWINXXQNSA-N 461.949 4.731 50 40 JJGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2)cc1C 409267714 VZTWLWJRIJOHRC-WGARJPEWSA-N 480.362 4.847 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OCC 409302794 KQEGMIFWJVYWPZ-QRQIAZFYSA-N 474.513 4.691 50 40 JJGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Br)c1OC 409392032 NFANDJROMWWYHR-DHRITJCHSA-N 456.340 4.572 50 40 JJGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2360502 OHZLTEYKKDMZEZ-NLTRVXJZSA-N 485.565 4.769 50 40 JJGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 8812903 FLRMQAQESVEXSI-SSDVNMTOSA-N 498.171 4.558 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3sccc3C)n2-c2ccccc2)cc1 9380206 RVAGIYHXHBNCKZ-OYKKKHCWSA-N 463.588 4.555 50 40 JJGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc(N)nc(Nc4ccccc4)n3)cc2)cc1 9469656 HSGDWQQRCDSNHE-RCCKNPSSSA-N 478.512 4.627 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCC 10118653 FTOUGUOAHMHUGV-SRZZPIQSSA-N 472.710 4.506 50 40 JJGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)c1 13058434 OCDQGQQGPMXLFC-HKOYGPOVSA-N 464.573 4.884 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(F)cc1 13063084 QZXLCQBURAIVJT-VVEOGCPPSA-N 489.425 4.635 50 40 JJGB COc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 20059822 LKTQIHHYPSNZSX-MTDXEUNCSA-N 487.581 4.502 50 40 JJGB Cc1ccsc1/C=N/NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 20233213 KMGOHSWELBOCDZ-FSJBWODESA-N 482.414 4.709 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 83317695 ZYLCFSNGRRCPQZ-CFRMEGHHSA-N 484.306 4.709 50 40 JJGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccn1)[C@H]2Br 101051209 AYSYGAXXLZIKSF-LKTVYLICSA-N 481.026 4.706 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1ccccc1 408718601 HSTVWVQRISXVHD-QRQIAZFYSA-N 473.529 4.663 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408803684 SBSKSBFETPALGO-GZTJUZNOSA-N 469.419 4.539 50 40 JJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 408947926 DPZFZTQJUJPHMW-KQWNVCNZSA-N 478.552 4.760 50 40 JJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409067780 PWQKZUPCXURNHA-QGOAFFKASA-N 452.919 4.962 50 40 JJGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1C 409261933 GARUDGPYJIIXFN-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1 409321381 HIWJGTFKFSZJLV-QGZVFWFLSA-N 455.967 4.622 50 40 JJGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2422829 BYMMWUQQTPLLLN-CPNJWEJPSA-N 481.892 4.618 50 40 JJGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccccc2O)cc1 4045766 IFKRPVYHGAXSMR-CGUDFOFQSA-N 470.573 4.550 50 40 JJGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12579044 XIZNCXKLBZREJP-UHFFFAOYSA-N 497.020 4.523 50 40 JJGB CCOC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)sc2c1CCCC2 27026849 NARMTDWMZCBEES-ARBPTSGCSA-N 482.440 4.901 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 108894383 ZVNYADFYZWFSCG-MZJWZYIUSA-N 462.575 4.687 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 408608224 VLYLLGNERVZUHR-VXLYETTFSA-N 496.523 4.999 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 408718405 MFPKBLJVRKYNBE-VULFUBBASA-N 494.345 4.699 50 40 JJGB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 408759235 AGMYTMWCAKJCQA-QVGKIPNLSA-N 488.009 4.752 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C(C)C)cc2)cc1 408785045 FNDZGDOGMVVVAG-MTDXEUNCSA-N 492.645 4.530 50 40 JJGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccccc2)cc1 408838696 HFDMHRYQYCQMEE-WPWMEQJKSA-N 453.454 4.515 50 40 JJGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408861501 BJZFPTNNTAAZIV-ZOODIOSSSA-N 486.597 4.573 50 40 JJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 408885466 AJDSCYIHAIARNE-XYOKQWHBSA-N 465.101 4.974 50 40 JJGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NCCc1c[nH]c2ccccc12 408951073 KWPWUQOCXYGPOB-GHXNOFRVSA-N 463.129 4.552 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 934957 AHGIQEFSNIYXEF-IEQIIXMPSA-N 467.594 4.780 50 40 JJGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(C#N)cc1 16214591 NUFCIHRTPQQWBQ-LPYMAVHISA-N 472.508 4.850 50 40 JJGB CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)s1 20191797 PQEBBXABWAMPGI-UHFFFAOYSA-N 498.995 4.505 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558566 MYQZEGTYLPCLAW-QHCPKHFHSA-N 455.539 4.522 50 40 JJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214165 PJIJWJUBGOYPST-AEIQVQRHSA-N 474.026 4.799 50 40 JJGB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(N(C)CCCl)cc3)C2=O)cc1 32099512 SZBWEDUATZANLC-RGEXLXHISA-N 479.886 4.887 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 34720022 ZNTMCCOSLMCNJH-LQKURTRISA-N 454.482 4.890 50 40 JJGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 50934429 WUIOHYFXINUUTF-BOPFTXTBSA-N 490.497 4.620 50 40 JJGB N#C/C(=C/c1ccc(-n2cccn2)cc1)S(=O)(=O)c1cc(Br)ccc1Br 96947649 SLKNHIDJAALYJQ-YBEGLDIGSA-N 493.180 4.736 50 40 JJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 108946864 RVOKEJXLYGGXOO-LQKURTRISA-N 454.482 4.890 50 40 JJGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC 408582379 NKCUXDUTVVSPSU-GZTJUZNOSA-N 459.283 4.775 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1 408793481 PDZABJWPBYNKJS-PXLXIMEGSA-N 456.498 4.997 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc([N+](=O)[O-])cc2)cc1 408809200 NLASPNRVULTZIX-DEDYPNTBSA-N 487.468 4.515 50 40 JJGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)c(OC)cc1Cl 408828704 LWGXGFMSCFMHLE-WUXMJOGZSA-N 451.704 4.674 50 40 JJGB COc1ccc(C(=O)N/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 408925955 VGBCHZLBCAKKIF-WPWMEQJKSA-N 474.538 4.688 50 40 JJGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl 409127365 CLECTCJLRLBQTC-LJQANCHMSA-N 464.393 4.775 50 40 JJGB Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3ccccc3C#N)c(Cl)c1)C(C#N)=C(N)O2 409131980 QDANGPNYPRGVTB-IBGZPJMESA-N 452.301 4.694 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 409254762 IPUQDVWWXHYEEE-ZMFRSBBQSA-N 480.908 4.646 50 40 JJGB Cc1ccc(NCc2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1 2096968 GSQJFQHJYPPYFR-RWPZCVJISA-N 474.565 4.569 50 40 JJGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC 10118654 KKIAXBSAPODHJF-WSDLNYQXSA-N 486.737 4.896 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 33783962 CMOWUPAYHWLVLX-WQRHYEAKSA-N 475.888 4.601 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408607159 CBJSHSDJHCXCJR-CTOFZRSPSA-N 479.964 4.645 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 408732028 OGDHXWAMUQCQBT-UVHMKAGCSA-N 462.962 4.743 50 40 JJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1Br 408737493 BPIUKOZLOKOVGT-LGJNPRDNSA-N 452.283 4.803 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408748168 ZKULBYXIIOXYFJ-ZROIWOOFSA-N 490.151 4.778 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 408775392 PTZPYAXGDLXRTP-UHFFFAOYSA-N 487.931 4.909 50 40 JJGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccco2)c1 408996338 HQJRGIZOKUSBBL-OGLMXYFKSA-N 467.481 4.823 50 40 JJGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1 409273523 YUROQVSWNWWYNJ-GLYGWYKASA-N 479.939 4.870 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 409323304 NHTZGOCNACNFHX-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OCC 409333091 IKLWXSMGURTZJE-MYYYXRDXSA-N 491.382 4.974 50 40 JJGB CCOC(=O)c1c(NC(=O)[C@H](Br)c2ccccc2)sc2c1CC(C)(C)OC2 2318604 PLCOHKSKJKIBAI-MRXNPFEDSA-N 452.370 4.851 50 40 JJGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057385 IGBUZDTYHZCBOF-MHWRWJLKSA-N 492.831 4.921 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 13095208 DQCCBXMOSDWDCD-QAHUDSGCSA-N 471.557 4.773 50 40 JJGB Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl)C(C#N)=C(N)O2 18276826 QTUBQPDWZSGSKW-IBGZPJMESA-N 472.288 4.730 50 40 JJGB COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)ccc1I 408747981 WNQZLBRZCCWPKS-FSJBWODESA-N 488.281 4.526 50 40 JJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC 408807687 DMUCXDSHHMLESZ-WQRHYEAKSA-N 471.351 4.645 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409028727 RDAOXZHPUZTASI-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1OCC 409309086 BEZZLJWQLZJXAG-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC 409313273 NUJTXYFPRAGIAY-NTFVMDSBSA-N 495.963 4.919 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409319345 DTKHTZRMNQHNDU-QQXSKIMKSA-N 461.474 4.511 50 40 JJGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccc(OC)cc2)cc1 1477640 HPYZRJZSKMXYLM-AFUMVMLFSA-N 493.614 4.564 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCc1ccccc1 2412658 DEGKAUJVPCXEBU-DEOSSOPVSA-N 466.493 4.989 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1 4091332 AOYAYRILWZBWLB-KKMKTNMSSA-N 462.859 4.855 50 40 JJGB C/C(=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-])c1ccc2ccccc2c1 8780756 CWLYZLVEYFYHHU-MYYYXRDXSA-N 492.333 4.909 50 40 JJGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 9635516 SYPWQAPZJOHITN-GHRIWEEISA-N 482.371 4.870 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558578 OWQSPILDXKOLNH-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1cccc(C(=O)O)c1 59250123 LXLPTNREOPYGNU-LQKURTRISA-N 454.482 4.890 50 40 JJGB CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(N=C=S)ccc21 71789513 KUQQHHQNMMQOSV-UHFFFAOYSA-N 473.462 4.840 50 40 JJGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 408602701 FISLFECDXUXBHC-UVHMKAGCSA-N 486.355 4.978 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1 408900167 TVTIQJPOHPVRGK-CPNJWEJPSA-N 487.468 4.685 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409207918 COSDKCHTDNJOOC-BHGWPJFGSA-N 472.910 4.687 50 40 JJGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O 409224035 JZWLZFMPKYKLTK-MYKKPKGFSA-N 474.256 4.590 50 40 JJGB C[C@H]1C[C@@H](C)C[C@@H](C)[C@H](O)CC(=O)O[C@@H]([C@H]2CCC[C@@H]2C(=O)O)CC=CC=C(C#N)[C@@H](O)[C@H](C)C1 1084295447 OJCKRNPLOZHAOU-BIAPPKFXSA-N 489.653 4.636 50 40 JJGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C 650571 LFNMBDADGQBTGJ-JOCHJYFZSA-N 456.901 4.930 50 40 JJGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(Br)s1 706632 CNLDYVANLLNFCH-AWQFTUOYSA-N 468.170 4.955 50 40 JJGB C[C@H](Br)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 1066059 VXDOLOPCUIIKBL-LBPRGKRZSA-N 476.421 4.700 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(Cl)cc1 2293079 YOSIFXCDIGPLOO-BRJLIKDPSA-N 474.742 4.849 50 40 JJGB O=C(Nc1ccccc1)N(C1=NC[C@H](CI)S1)c1ccc(F)cc1F 3103361 MYXWVAAOLVVCHA-ZDUSSCGKSA-N 473.286 4.910 50 40 JJGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2)n1 3238655 MVKQQRAIMNLVML-FLUNURKVSA-N 466.435 4.845 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 8780781 ARCYGXTWMCECTO-GZIVZEMBSA-N 497.136 4.673 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C#N)cc1 9187530 OVIBCTLEUYZGAA-DEDYPNTBSA-N 463.497 4.915 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)ccc1I 9324048 OUIZWZJHOBPFEU-YDZHTSKRSA-N 479.362 4.987 50 40 JJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c(OC)c1 9693356 LZABBNHUZUHGNI-SFHVURJKSA-N 455.967 4.885 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccc(Cl)cc3)nc12 13786815 SFHAASCDTMGXJT-SAPNQHFASA-N 462.937 4.805 50 40 JJGB COCCn1c(SCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)nnc1-c1cccc(C)c1 96809714 IPNZVZBMVSVFKL-PTGBLXJZSA-N 477.615 4.538 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CN2CCOCC2)cc1 408725853 IQXAPUDGNIWVJZ-OGLMXYFKSA-N 463.965 4.515 50 40 JJGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 408771636 HTHZAWIPFXKNSI-UHFFFAOYSA-N 454.379 4.625 50 40 JJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccccc1 408883556 TZDGBARRPVNMOO-WSDLNYQXSA-N 485.250 4.822 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccccc2F)C2=C1CCCC2=O 409130189 INXLGBIDXWUUEW-QFIPXVFZSA-N 482.353 4.897 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1OC 9693263 FOWIAQFOSXTYRQ-SFHVURJKSA-N 455.967 4.967 50 40 JJGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1c(-c2ccccc2)noc1C 9905934 NAPJVXZJLMKPKV-LSHDLFTRSA-N 493.155 4.948 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 12285320 WOYOKFMIIMMORJ-CVKSISIWSA-N 481.346 4.678 50 40 JJGB N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 16157689 AKYFMJNEGACIPV-SSZFMOIBSA-N 483.889 4.562 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 59536654 OGRLFXLOHWGITH-QGOAFFKASA-N 482.945 4.970 50 40 JJGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1Cl 408751237 YAYIGDNMKRVHOZ-NTFVMDSBSA-N 474.900 4.684 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl)Nc1ccccc1 408962649 IXIMLSOBWOSHQH-LGJNPRDNSA-N 492.875 4.776 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1cccc(F)c1 409139486 NWPKOZSCPHOWME-OAQYLSRUSA-N 499.336 4.991 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCc1ccccc1 409393239 WHIAHQXGUQGXHP-VULFUBBASA-N 499.361 4.905 50 40 JJGB COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 1096223 YMYHABDHJUSPPR-VULFUBBASA-N 499.361 4.574 50 40 JJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OC(C)C 9204739 RTWWLLFSZIVVBE-FSJBWODESA-N 453.764 4.981 50 40 JJGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nnc(N2CCOCC2)n1-c1ccccc1 9561681 SKVCPLSAOQLFIO-HKOYGPOVSA-N 463.541 4.747 50 40 JJGB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1cc(-c2ccccc2)on1 41154291 MKOMPSSYKPWLJD-UHFFFAOYSA-N 496.460 4.953 50 40 JJGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 58918262 LQVKEMPPMJLWIU-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C#N 408605102 KPIQSMCQRBBKNK-DEDYPNTBSA-N 463.497 4.915 50 40 JJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1C 408612997 YFQPSWAKZHMADA-VULFUBBASA-N 480.362 4.734 50 40 JJGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408784825 VPHICLFIOHPZFG-UHFFFAOYSA-N 472.051 4.892 50 40 JJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 408880817 KYXLROCZTPZDLO-XYOKQWHBSA-N 468.809 4.971 50 40 JJGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1 408892635 BMWBYJNJLRVBHW-QGOAFFKASA-N 495.944 4.612 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccccc2C#N)C2=C1CCCC2=O 409143364 NAMDRBLYSWCZBV-QHCPKHFHSA-N 489.373 4.630 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Cl)c1OCc1ccc(Cl)cc1 409143832 IPDUSPIMHGGFON-OPEKNORGSA-N 490.299 4.959 50 40 JJGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 409214033 XAQXOOQLJSJJQJ-DHRITJCHSA-N 455.967 4.777 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)ccc1OC(C)=O 985570 COXKUCWVPPCFJV-GOSISDBHSA-N 471.300 4.536 50 40 JJGB COc1ccccc1C(=O)N(NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1ccccc1 1410629 DMUBPFSZAKZUQY-UHFFFAOYSA-N 480.564 4.926 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1OC 9014849 LEBWFEPSBCNXNB-IBGZPJMESA-N 473.554 4.568 50 40 JJGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 9056574 GSROAVQQYRQBRS-MTDXEUNCSA-N 487.581 4.502 50 40 JJGB N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2Cl)C1=O 13573452 DYADATLDPFFPTC-KRWDZBQOSA-N 487.766 4.838 50 40 JJGB COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OCc1ccccc1Cl 28217789 DXWCLJILJDWGQH-DHRITJCHSA-N 494.817 4.626 50 40 JJGB Cc1cccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c1C 30834337 PMAIPFARZRVWQE-MLCGQVISSA-N 497.345 4.807 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1Cl 59101513 OLSPQFHBAXMAGS-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB O=C(CCCSc1nc2ccccc2[nH]1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 89866667 DJZOSENCCJNYDG-UHFFFAOYSA-N 482.569 4.507 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(Cl)cc1 408612848 YYVNRIXUKZISSI-LJQANCHMSA-N 479.964 4.814 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1 408788512 KNVVNDBJPJAKLC-XSFVSMFZSA-N 490.357 4.690 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC)cc2Br)cc1 408790462 WLHNUJRAMJJIDB-MHWRWJLKSA-N 473.323 4.579 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(I)c1OC 408804624 BDHKYLQJLRMYMX-NTUHNPAUSA-N 482.705 4.816 50 40 JJGB O=C(COc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1)Nc1ccccc1 408933341 ASRGQKRJUHZTDU-WGARJPEWSA-N 492.329 4.977 50 40 JJGB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409195509 QGEZQNJLIJLRKP-SLQWDELCSA-N 460.603 4.716 50 40 JJGB Cc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1 409253868 CKRYIIKDVVVSPO-QFEZKATASA-N 466.335 4.539 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 409270217 DHGXXPYHUVIBKK-QNGOZBTKSA-N 455.514 4.875 50 40 JJGB N#C/C(=C/c1ccccc1I)c1ccc(I)cc1 409369123 CYOVCGANMCCZGN-LCYFTJDESA-N 457.052 4.960 50 40 JJGB C[C@@H](Br)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 1066060 VXDOLOPCUIIKBL-GFCCVEGCSA-N 476.421 4.700 50 40 JJGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3244137 JLROKPZTFWDFHS-GZTJUZNOSA-N 456.479 4.695 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 8917419 CESJYCKBDJEMLG-DEOSSOPVSA-N 471.469 4.821 50 40 JJGB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 19830841 UKXASZBGQKSDQM-NIYFSFCBSA-N 458.514 4.514 50 40 JJGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 28627721 IVXVNKIIPPGSRB-AREMUKBSSA-N 498.608 4.972 50 40 JJGB COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccccc1Cl 30838829 LUSAVGPZKNJALB-VYYCAZPPSA-N 466.921 4.714 50 40 JJGB COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCc1ccc(I)cc1 32189144 UUCAROUZNDNAIQ-UUYOSTAYSA-N 492.338 4.704 50 40 JJGB CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 100962730 JTIQNXKQKAWHHI-GZTJUZNOSA-N 473.312 4.799 50 40 JJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C 408591910 WHAULHQUZXAPIU-FSJBWODESA-N 455.312 4.837 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2OC)cc1 408880513 ICLYHVOAEKUARJ-OGLMXYFKSA-N 454.482 4.840 50 40 JJGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408899236 OHICSVHZCVPKBK-LFIBNONCSA-N 483.889 4.562 50 40 JJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409064873 IORDJHJCGCFBSY-LFIBNONCSA-N 483.889 4.562 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1 409268471 UDUPTCVRXGPLOM-BLLKKSLCSA-N 491.975 4.821 50 40 JJGB CC[C@@H](Nc1ccc(I)cc1C)C(=O)N/N=C/c1cccc(Cl)c1 2744252 MQWNGJNEDGDFCI-BTZNOAQDSA-N 455.727 4.594 50 40 JJGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1cccc(I)c1 14921864 BPBKLSSTAXFZEM-UDWIEESQSA-N 458.752 4.718 50 40 JJGB CCC(CC)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 19926491 BFAAYFRCHCXOKK-UHFFFAOYSA-N 456.395 4.865 50 40 JJGB C/C(=N/NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 22708398 PLTFZHVBWQPJJL-VEILYXNESA-N 472.570 4.736 50 40 JJGB COC(=O)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 32576847 VTMZXNXYNQYHHD-VYYCAZPPSA-N 492.988 4.767 50 40 JJGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2I)c1 408777660 FDKIKBBQHOVUOX-ZDLGFXPLSA-N 460.315 4.610 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408786309 PECYEYAMTVIDSH-WGOQTCKBSA-N 469.994 4.556 50 40 JJGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 409122814 BYQFNOBJKYVRDO-INIZCTEOSA-N 480.156 4.591 50 40 JJGB O=C(COc1ccc(Cl)cc1Br)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 9379646 RQZKYZAPMHYRFS-HPNDGRJYSA-N 498.764 4.549 50 40 JJGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 13602505 YGJRLPNWOJUPOF-JGYDOUFFSA-N 460.342 4.682 50 40 JJGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C1\C(=O)Nc2ccc(Br)cc21 20247408 MJHZHVVBJKDQQD-UHFFFAOYSA-N 478.371 4.725 50 40 JJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 28213881 RDRZQNMPMWGQGK-AFUMVMLFSA-N 453.951 4.600 50 40 JJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(O)(c1ccccc1)c1ccccc1 28444763 MUOMMKMAPWUDHW-VUTHCHCSSA-N 478.577 4.987 50 40 JJGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 59101546 MFSRNNMHPGEQQN-JFLMPSFJSA-N 465.937 4.715 50 40 JJGB C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C\C=C\C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 62613003 OJCKRNPLOZHAOU-SNYHPQRBSA-N 489.653 4.636 50 40 JJGB C#CCOc1cc(Br)c(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OCC 100371126 WJRSWHHLZKDDBH-PXNMLYILSA-N 475.346 4.868 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCc1ccc(C(=O)O)o1 110216128 JUMUMLWYVSVTIT-RWPZCVJISA-N 487.512 4.737 50 40 JJGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(OC)c2)cc1 408772616 DQJMRBPCSVXBLD-WJDWOHSUSA-N 458.356 4.858 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 408784692 RVDPJDVFOSQKQL-ZXVVBBHZSA-N 484.021 4.969 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 408788260 BSPMCHAADGSEHO-PLRJNAJWSA-N 467.569 4.920 50 40 JJGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408860934 IWWWZMVKNIXKNU-AJBULDERSA-N 484.644 4.803 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409074009 PHEAUDIOQGVVOU-LFIBNONCSA-N 486.908 4.801 50 40 JJGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NNC(=O)c3ccccc3Cl)cc12 1447883 QTKUVOPASDLUQJ-UHFFFAOYSA-N 492.915 4.770 50 40 JJGB biogenic Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 1888758 OKAMDHVBRFLIOG-NLTRVXJZSA-N 471.557 4.877 50 40 JJGB CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c3c(C)c(C)cc1c32 2410982 LJUNXEPRQPQOFX-GDLZYMKVSA-N 477.568 4.712 50 40 JJGB CCCCOc1ccc(C(=O)N/N=C/c2ccc(OCCN3CCCCC3)c(OC)c2)cc1 8399462 GYRJRIXBTMXCKY-NHFJDJAPSA-N 453.583 4.503 50 40 JJGB COC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9806102 ALBURJQIUSSNJK-KAMYIIQDSA-N 474.454 4.588 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 9908336 FUMBLQMOGSEVQL-SGHMZTNKSA-N 496.542 4.672 50 40 JJGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12546306 HVROEGAMHNONED-UHFFFAOYSA-N 462.600 4.870 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c2cccc(C)c2)cc1 20059084 IFUQRSXLNIXFQK-UXHLAJHPSA-N 497.620 4.901 50 40 JJGB COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 23224126 KEQNHGWDDUJIOC-BUVRLJJBSA-N 478.552 4.839 50 40 JJGB O=C(N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(-n2cccc2)c1 33748041 PGPJIDXKUOEQNV-DICXZTSXSA-N 452.470 4.535 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OCC#N)ccc3ccccc23)c(C#N)c1C 408546654 LIIUBSRAHINTDI-LDADJPATSA-N 469.522 4.879 50 40 JJGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3)cc2)N2C(=N1)SC(C#N)=C2N 408603251 FIOHXGCFVPLHOO-HSZRJFAPSA-N 474.586 4.994 50 40 JJGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)CC1 408829800 MEMFODCYGLYPNJ-STBIYBPSSA-N 480.971 4.574 50 40 JJGB COc1cccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(C(=O)O)cc1 409186664 GFVGCYCVADTMMQ-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1 409203568 XIZYTYYXWTWLDJ-PXLXIMEGSA-N 479.536 4.981 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409311841 BQIMLWMZGZTTMM-CQSZACIVSA-N 450.322 4.843 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CC(C)(C)C3)ccc1O 720229 DGAGNBWZMKUDHH-OAQYLSRUSA-N 451.473 4.620 50 40 JJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc1 1319818 PYJSLSGVXRJNTM-AEIQVQRHSA-N 450.491 4.550 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OC 12285047 UWZOCMOHIKLABW-NTUHNPAUSA-N 482.705 4.816 50 40 JJGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)COc1ccc(C)cc1Br 12628830 ZKZQENDKQIAGBU-PCLIKHOPSA-N 460.372 4.781 50 40 JJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 33337467 DBAZPTIUGAZXNN-FBHDLOMBSA-N 457.486 4.599 50 40 JJGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3cccs3)cn(CC(=O)N3CCCCC3)c12 59087064 AJAVTDBTQZUADK-XSFVSMFZSA-N 460.603 4.501 50 40 JJGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100870264 ALBURJQIUSSNJK-SDNWHVSQSA-N 474.454 4.588 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1cccc(C)c1 408765560 YRAPQSJGUXJCGJ-VULFUBBASA-N 475.526 4.606 50 40 JJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408788019 CGWUEVNACCFRIZ-QFZHPGEVSA-N 451.515 4.515 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 408829590 KELJZAIUVPJGDO-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c(Br)cc1OCc1ccccc1C#N 408978435 MAJLOFBXSCHTGY-AWQFTUOYSA-N 491.345 4.969 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 409234118 MAENEIJFYPEBMH-FPJJECCMSA-N 457.486 4.967 50 40 JJGB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccccc3O)n2-c2ccccc2)cc1 1084390 NDBGSNGTQYTBPU-DVQSINOTSA-N 486.601 4.524 50 40 JJGB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1 12311909 IEDXFLCLOMYXNQ-XDJHFCHBSA-N 487.025 4.516 50 40 JJGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2oc1=O 13512062 WVSKRZATEFCZTL-WYMPLXKRSA-N 451.276 4.568 50 40 JJGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1 13807381 XRESAWSCRMGBMZ-RCCKNPSSSA-N 471.538 4.750 50 40 JJGB Cc1sc2nc(CS[C@@H](C)C(=O)NN(Cc3ccccc3)c3ccccc3)[nH]c(=O)c2c1C 32999492 BZVOPUIPIYZFPQ-SFHVURJKSA-N 478.643 4.961 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 33664762 IZXLHKSUPJRFSW-YUMHPJSZSA-N 484.468 4.928 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC(=O)OC 408793979 QZYUPFSPLJLEFY-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408796681 PNOHJIBDEGXFRG-GXDHUFHOSA-N 496.273 4.950 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OC 408797824 STBLSJSHEUOMFG-AWNIVKPZSA-N 482.705 4.816 50 40 JJGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408799600 ZOQGRFFTOJSOJZ-LICLKQGHSA-N 457.324 4.554 50 40 JJGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 408824538 IDBODHFAIJNUIQ-RWPZCVJISA-N 492.963 4.570 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OC 409322394 WNUPRPUAVCTDIP-NTFVMDSBSA-N 464.493 4.751 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 409352335 ZPONEWPUMKIIFE-XQQQEEOESA-N 483.362 4.611 50 40 JJGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1 713591 MCZFIMVTYWQJHQ-XMMPIXPASA-N 489.572 4.662 50 40 JJGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 2209483 YIYIPKVRYGAWFX-UZEPBSNMSA-N 467.594 4.992 50 40 JJGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl 2311194 UWXHJAPOSXQADD-SFTDATJTSA-N 483.977 4.989 50 40 JJGB CCCOc1c(Br)cc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)cc1OC 3588689 MTJCEFODYYZKTB-CXUHLZMHSA-N 454.317 4.724 50 40 JJGB O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)[C@H]1CC1(c1ccccc1)c1ccccc1 8386049 FRYBIOZEBCJIKX-LPANUZLBSA-N 480.318 4.519 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1 19849210 VXNPATHHXFEJMC-YUMHPJSZSA-N 487.585 4.502 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C 59472829 MQMRMIBODBLPOA-VULFUBBASA-N 490.412 4.956 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)ccc1I 408748204 ZZWQLGYADFXUMX-WYMPLXKRSA-N 491.304 4.610 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 408775067 YMDVNYNVCLUROZ-MZJWZYIUSA-N 498.004 4.750 50 40 JJGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)c2ccccc12 408912417 QFMOMTNSXPVXAF-MRAZWZEMSA-N 461.562 4.682 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2cccc(C)c2)C2=C1CC(C)(C)CC2=O 409131939 PTNQYOOWDQLCHS-SANMLTNESA-N 471.601 4.957 50 40 JJGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cc(Br)ccc1O 409268533 VEZVNNWCXBSCJR-LSHDLFTRSA-N 473.154 4.721 50 40 JJGB COc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccc(OC(F)F)cc3)sc2c1 9373654 YSLFDVOJLPIOIT-UHFFFAOYSA-N 457.911 4.796 50 40 JJGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)OC(C)C)=C(C#N)[C@@H]1c1ccccc1 12250296 KWXHTFTZGDXTRW-DEOSSOPVSA-N 477.586 4.715 50 40 JJGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc2c3c(cccc13)CC2 15134357 PEXLTBIBNPNYGA-AFUMVMLFSA-N 453.336 4.629 50 40 JJGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)COc1ccc(C)cc1Br 16284646 AXUIUINCBPLRGW-ZVHZXABRSA-N 466.763 4.619 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OC 28217754 UCDMRIRYSWLKJF-JYQBEENSSA-N 457.777 4.751 50 40 JJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 33957586 ZRNMUCVEWUYYLA-VULFUBBASA-N 454.910 4.709 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 107896704 GMZILRIZAAWBLU-VULFUBBASA-N 451.910 4.650 50 40 JJGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 211039999 CWTBKUSVRZQFDY-NLRVBDNBSA-N 469.994 4.769 50 40 JJGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 408530397 LQLZDRGRCXPPRO-NSKAYECMSA-N 450.348 4.575 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408766573 VPGOIJFXJOVFNU-VULFUBBASA-N 496.361 4.548 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2Cl)cc1 408863241 QMFNNLCSIVGNRP-JFLMPSFJSA-N 484.021 4.919 50 40 JJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2s1 408886346 GJOFHEMOLYMWMA-SRZZPIQSSA-N 462.394 4.866 50 40 JJGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1O 2352126 XIQPFXDUELNRKF-OGLMXYFKSA-N 499.596 4.619 50 40 JJGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 2703019 HSGIEAKHHUNYDO-AFUMVMLFSA-N 492.948 4.738 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c(C)c1 3089204 DPSBKOIBEYVDTP-RWPZCVJISA-N 489.519 4.668 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OC(C)C 9204600 WEBPGMPHRHKKET-SSDVNMTOSA-N 484.188 4.700 50 40 JJGB COc1cc(C(=O)NNC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1Cl 9507717 ORFCWZBYVKKSSX-UHFFFAOYSA-N 451.331 4.717 50 40 JJGB N#Cc1cc(N(Cc2ccc(Cl)c(Cl)c2)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1C#N 15022978 DUEAIFPEVSPFNJ-UHFFFAOYSA-N 466.284 4.997 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N3CCCCCC3)o2)c(C#N)c1C 408547509 YRGIGMOZRVLIOH-SFQUDFHCSA-N 451.548 4.797 50 40 JJGB O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408848851 WKSQFSUAOMEIPJ-UHFFFAOYSA-N 463.946 4.811 50 40 JJGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408875894 MDSAIXJAFYEJCP-WPWMEQJKSA-N 498.004 4.559 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1 408879884 HQRNFTYVEMQDCW-CJLVFECKSA-N 454.482 4.937 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OS(=O)(=O)c1ccc(C)cc1 408885337 ZNDGGJHNCTXXCC-LDADJPATSA-N 482.945 4.970 50 40 JJGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C 648382 VCUKPBDLGCOFDV-QFIPXVFZSA-N 483.362 4.900 50 40 JJGB O=C(Oc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1)c1ccco1 1434078 KEBSDTRLTNRNMA-PCEWRDAZSA-N 450.494 4.955 50 40 JJGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2330035 ILRBIPQEMQORIO-UZEPBSNMSA-N 467.594 4.780 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1C 2373308 FALWVIKZRXRMDA-GYPYFPCHSA-N 497.345 4.807 50 40 JJGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[N+](=O)[O-])c1 3090321 IXUVRZIHUHFMHP-JFLMPSFJSA-N 469.453 4.745 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(Cl)c1OCc1cccc(C(=O)O)c1 9259080 AAPGSINQZSLMDD-ODLFYWEKSA-N 468.937 4.982 50 40 JJGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 13689275 WRKLJUMDGVGMGA-RWPZCVJISA-N 480.952 4.811 50 40 JJGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 13923513 KQNINMOMYOWUKP-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1ccc2ccccc2c1/C=N\NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 16227892 CJJBNAWEPAJYBZ-BEQQGTTNSA-N 494.507 4.678 50 40 JJGB CCOc1c(Br)cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC 32703893 OBRGIUSHZDQUGY-ICXMQADFSA-N 469.763 4.736 50 40 JJGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21 46084995 PBDUOAKLZACHQF-IKPAITLHSA-N 471.557 4.702 50 40 JJGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCC3=CCCCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100773554 RCDJEKRGEWVOFY-DPGADTHOSA-N 491.625 4.525 50 40 JJGB biogenic O[Si](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 195754444 BCLCWOAOLZFBDU-UHFFFAOYSA-N 480.402 4.702 50 40 JJGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1O 408534393 VLESMIVXZLEFCQ-SDQBBNPISA-N 456.077 4.832 50 40 JJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C#N)c1C 408546721 NXRAATNMEOUKCM-WQRHYEAKSA-N 492.557 4.722 50 40 JJGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(I)cc1 408775809 KBQIMSWEKZVXRF-KEBDBYFISA-N 463.102 4.517 50 40 JJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C2=C1CCCC2=O 409128905 PWSRXDYIKQWXRD-QFIPXVFZSA-N 464.909 4.557 50 40 JJGB C#CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 409199848 DQUZTOPOUGGNRJ-FSJBWODESA-N 481.799 4.756 50 40 JJGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1 409256252 KXGWFKSFIQSADO-VYYCAZPPSA-N 465.937 4.747 50 40 JJGB CN(CCCN(C)c1ccc(CCCOc2cccc3c2C(=O)OC3=O)cc1)C(=O)OC(C)(C)C 1772715270 LVRUSDSRCNJXGN-UHFFFAOYSA-N 482.577 4.702 50 40 JJGB COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC(=O)c1ccc(C)cc1 2078443 BYHKAFMXEVJHLV-VULFUBBASA-N 497.345 4.758 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccncc1 13597874 BCDJSJFHQJZOQD-CIAFOILYSA-N 450.014 4.511 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cc(Cl)ccc2C)cc1 20207029 AHGDUIHVHQFAHU-ZMOGYAJESA-N 476.023 4.672 50 40 JJGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 33517897 SRMKXVZPDSZXLR-LPBXYBGUSA-N 481.383 4.981 50 40 JJGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1COc2cc3ccccc3cc2O1 67197033 RFVQPPMPZBULTA-OIUNUMOFSA-N 477.860 4.952 50 40 JJGB Cc1cc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc([N+](=O)[O-])c1C 408750146 KWOWIVMUUMVFFY-QRQIAZFYSA-N 469.497 4.858 50 40 JJGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccc(C)cc1 408880251 GVWOGKZUHCKZCO-OGLMXYFKSA-N 493.629 4.665 50 40 JJGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409043594 RVJMIQREHISAKQ-KPKJPENVSA-N 466.129 4.862 50 40 JJGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1cccc(C)c1 409249845 LWSYZVJVTJTDEB-RPPGKUMJSA-N 485.009 4.885 50 40 JJGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(CN2CCc3ccccc3C2)cc1 409327018 GNQDDEAYUXMRIQ-UHFFFAOYSA-N 452.602 4.627 50 40 JJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OCC)c1 4290887 WZHAEEMNSSDPNW-DEDYPNTBSA-N 497.544 4.971 50 40 JJGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 15135263 ZVSOFEIBPLAQAL-PKAZHMFMSA-N 453.454 4.660 50 40 JJGB N#C/C(=C\c1cc(Br)cc(I)c1O)c1nc2ccccc2[nH]1 16525045 QTRAHBPJMZEBHV-BJMVGYQFSA-N 466.076 4.700 50 40 JJGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 20232578 KRLJFTJTQQTQRV-MTDXEUNCSA-N 491.613 4.598 50 40 JJGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/[C@H]2CC=C(C)C[C@H]2C)c(OC)c1 21966472 RMJITTRYQPRBOH-MJRCRTLBSA-N 461.562 4.569 50 40 JJGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 59536454 OGGHDYVJQIKAPW-DEDYPNTBSA-N 466.946 4.640 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105054851 FZLBNECTCUJMBH-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408569460 NWWNCZGEKBJPOH-DHRITJCHSA-N 496.570 4.790 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCc1c(F)cccc1Cl 408604319 ICAOQXMKCXJKFL-XODNFHPESA-N 483.927 4.772 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccccc2)cc1 408785424 ZFPYJZQBDXJGDA-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1 408794536 JLMSAABWUSYSPY-QGOAFFKASA-N 482.378 4.822 50 40 JJGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@@H]1c1ccc(F)cc1 409319739 LECFSGQUQOZVMJ-MRXNPFEDSA-N 450.322 4.843 50 40 JJGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] 1947451 PSYSUOIYRAFYKG-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 9833717 KUFVTVBCRVSIHN-RGEXLXHISA-N 459.458 4.737 50 40 JJGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 14920631 LTUMCUNQUVVJIT-WMJRALALSA-N 465.145 4.611 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 16410142 ZOYCDTJTQGEKRH-XSFVSMFZSA-N 462.527 4.625 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cc(Cl)cc(Cl)c2)cc1 19926455 LJQZRDSGIJWDNS-VULFUBBASA-N 490.412 4.956 50 40 JJGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 19951656 OCPVKWUWZKCSAR-WGOQTCKBSA-N 469.994 4.809 50 40 JJGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc(O)c1 33096972 KHLCSVKGWYHNSY-MXAYSNPKSA-N 450.951 4.686 50 40 JJGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59254955 GINCYPULEKYWTA-KPKJPENVSA-N 450.676 4.955 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 408773908 KAFXDIFSYFBDFT-WGOQTCKBSA-N 469.994 4.556 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 408841176 JJBFOQHGQOPPLO-NDZAJKAJSA-N 497.620 4.846 50 40 JJGB CC(C)(C)OC(=O)N1CC[C@H](CN)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 953075601 JPABGQWTUJHPME-GOTSBHOMSA-N 482.741 4.537 50 40 JJGB N#CC1=C(N)SC(N)=C(C#N)C1c1cc(Br)ccc1OCc1ccc(Cl)cc1 2743616 PXCDYJMVJYJTRF-UHFFFAOYSA-N 473.783 4.900 50 40 JJGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 8952531 AVFKZXBGFLRBLK-CIAFOILYSA-N 491.341 4.950 50 40 JJGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101144884 HTBHJEGADPBLSN-PXLXIMEGSA-N 453.454 4.690 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 408601543 BIKQJSBMORFKAK-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccccc1Cl 408608808 PTJZCXHKCCQFRJ-MZJWZYIUSA-N 465.937 4.633 50 40 JJGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408789638 NLRVOPHAMYYRTH-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 408792320 ARKQLHKTUNZAIT-UZXYXVAJSA-N 469.541 4.887 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 408845265 LTEQQEMUSSRCDW-MTJSOVHGSA-N 472.497 4.917 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)c1 408967528 QRSZVUDUZNZZBG-AFUMVMLFSA-N 468.351 4.797 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1sc2c(c1C#N)CCCC2 409195242 NUBOQCCEEMWXDQ-RGVLZGJSSA-N 484.581 4.858 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)n1 409228821 FQPSHHAFLLURQL-WYMPLXKRSA-N 485.407 4.677 50 40 JJGB COc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccc3c(c2)OCO3)cc1OC 1743659 WDBSXGYFCYFDON-DLBZAZTESA-N 472.129 4.515 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1 4761476 JFGMPCRTQNLLDX-RUZDIDTESA-N 489.597 4.764 50 40 JJGB Cc1nnc(SCC(=O)N/N=C/c2ccccc2OCCOc2ccc(C(C)(C)C)cc2)s1 8861572 IDZMYMWXUGYHLQ-MFKUBSTISA-N 484.647 4.844 50 40 JJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 28214160 PJIJWJUBGOYPST-CIRUFVMISA-N 474.026 4.799 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(C)cc1 28617453 PWKPTWCIYACYJO-QRQIAZFYSA-N 473.529 4.725 50 40 JJGB COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2Br)cc1 33392577 KWGXCFAXTIGYRT-WGARJPEWSA-N 496.361 4.548 50 40 JJGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1ccccc1 58882675 AHWBJYAYYZWOSS-COEJQBHMSA-N 463.537 4.986 50 40 JJGB CCOc1ccccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408650255 MAMCQRIXNMSHOH-UZLBHIALSA-N 464.345 4.515 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 408753192 FBNGGABKXSTHIW-LTGZKZEYSA-N 470.481 4.637 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C 408921647 BSBOPABJYTZOIJ-DHRITJCHSA-N 453.882 4.908 50 40 JJGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1C 409010581 CGYMYRVFXDXMEF-XFBMCBBJSA-N 494.419 4.759 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409045290 GAQFZWCESGIAOU-FYJGNVAPSA-N 489.959 4.980 50 40 JJGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409313893 PUOFNGQEUCWDIU-GOSISDBHSA-N 455.967 4.758 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccccc1 3335002 QJNJWHVBZHCOHA-DHRITJCHSA-N 454.324 4.586 50 40 JJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(OC)c1 8717181 KCWPNFBLZQDPLU-XSFVSMFZSA-N 482.964 4.939 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 12418885 RYPMPLIPWBXYMG-NHDPSOOVSA-N 476.916 4.849 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1cccs1 20029040 UUHRDHZWBHUMGO-QFIPXVFZSA-N 465.600 4.854 50 40 JJGB NNC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226342292 HANFZEMLGNGJRB-UHFFFAOYSA-N 452.563 4.911 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(I)o2)cc1 408853224 MKXAMHJQXPCIJI-POHAHGRESA-N 457.065 4.501 50 40 JJGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408882986 SDUOXRVNHQBMMW-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(I)c3)c2C)cc1 408897052 QBKJQYMIZSKGNW-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Br)c1 409268789 ALUKIUYPKRARPK-WGARJPEWSA-N 480.362 4.847 50 40 JJGB O=C(N/N=C/c1cccc2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1089383 QBOVPKRDGARPQV-WYMPLXKRSA-N 478.306 4.519 50 40 JJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 8860868 CBACCCKKSMKTHG-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB Cc1ccc(COc2ccccc2/C=N/NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 9144671 MGJNVEVRARDMBM-WVOIHLJESA-N 457.574 4.787 50 40 JJGB CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccccc1OC 9659335 HNHXYHVIYBFPJR-NLRVBDNBSA-N 455.555 4.518 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c(C)c1 28632507 LGQVOHDUNOIQPE-WGARJPEWSA-N 480.362 4.734 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1Cl 58913114 UBKRSXGJWYVGBG-WYMPLXKRSA-N 473.758 4.599 50 40 JJGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 97674217 HIWXCAQFJYUEBX-BKUYFWCQSA-N 459.502 4.522 50 40 JJGB COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C 101122436 QZDHYTUDOLLQJN-MHWRWJLKSA-N 490.326 4.591 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 106120131 SKWFUAMRVZXFOL-QFEZKATASA-N 498.333 4.638 50 40 JJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1 408675905 CFOUVQLWGQQOEM-MTDXEUNCSA-N 458.562 4.635 50 40 JJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 408978272 HPFIXSGAOFZGPN-ZCGOLBPFSA-N 491.588 4.799 50 40 JJGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 408979330 MMPIJADCAAUDJJ-BPDXMKQKSA-N 466.365 4.554 50 40 JJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)n1 409235027 ARCUCSVYPMDURL-CCVNUDIWSA-N 468.586 4.519 50 40 JJGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c1 409324152 RIELBVCVWZJSLV-KRWDZBQOSA-N 470.392 4.777 50 40 JJGB COc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1cccc2ccccc12 8861829 ORRKWUTZVTXGGZ-DHRITJCHSA-N 452.308 4.554 50 40 JJGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 9262232 XJJZNCATEWQCAF-HYARGMPZSA-N 466.541 4.848 50 40 JJGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(-c4cccs4)n[nH]3)c(-n3cccc3)c12 12445334 FLOTVBODAOTHBG-WYMPLXKRSA-N 476.587 4.757 50 40 JJGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C3=C(CCCC3=O)N2)c1 13174759 CEGZWGQYZXDWGV-QHCPKHFHSA-N 463.534 4.635 50 40 JJGB COc1cccc(-c2cc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 20274516 FYUSDFSQSRYYRX-UHFFFAOYSA-N 470.573 4.823 50 40 JJGB C/C(=N/NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 22569558 YIUNVFUUJLHPNR-NTFVMDSBSA-N 461.909 4.584 50 40 JJGB CN(C)c1ccc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1 31723790 WWBRCYGPMKYDJN-DHQAUHHZSA-N 492.668 4.540 50 40 JJGB CCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 33736280 NRBNHAAWDYTUSH-MBTHVWNTSA-N 465.937 4.829 50 40 JJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 34869186 KCDWIKWPYTVXOP-MZJWZYIUSA-N 459.575 4.628 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OCc1ccccc1 59447331 SDDBBDLFQNGBLL-ZVHZXABRSA-N 486.309 4.643 50 40 JJGB NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12 226766458 FMXPLWHIIKICAD-UHFFFAOYSA-N 458.699 4.609 50 40 JJGB O=C(COc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 408966638 MOXBKZQVXGBZEB-XODNFHPESA-N 459.399 4.626 50 40 JJGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2Cl)cc1 409219952 WUWVZEDIUZUEOX-WGARJPEWSA-N 494.891 4.580 50 40 JJGB CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)c1O 2199446 JAVXCNHSFNUREH-CVKSISIWSA-N 481.622 4.609 50 40 JJGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1ccc(OC(F)(F)F)cc1 2562204 NNPZNYBJSQJUBN-VIFPVBQESA-N 468.284 4.677 50 40 JJGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1 3321584 OBJKPDXBRVFXDA-NRFANRHFSA-N 457.555 4.949 50 40 JJGB CC(C)[C@H]1Nc2ccc(S(N)(=O)=O)cc2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]21 6077006 XAUIRGBLWMLADI-DNFQIOANSA-N 482.027 4.564 50 40 JJGB C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c2ccccc21 13567734 WMPLKZKJMABCBS-MHZLTWQESA-N 470.960 4.640 50 40 JJGB CCOc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2C)ccc1OCc1ccccc1C#N 32114495 GGFKKPHZIOEXFG-WBDLXYTISA-N 457.530 4.762 50 40 JJGB Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1 98212425 FYYHSZKBQHQUNG-HSZRJFAPSA-N 455.539 4.522 50 40 JJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)CN(CCCl)CCCl 118928993 IDOXMVAUYAOGFZ-MDLMHBAVSA-N 471.513 4.575 50 40 JJGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2OC)cc1 408889439 HAJBFZFKGHQAMP-XDHOZWIPSA-N 487.468 4.685 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 408899559 QIUMWPUUDBYCQH-FOWTUZBSSA-N 461.430 4.586 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc([N+](=O)[O-])ccc1O 409054407 FVGFLLVCFLRMFD-BHGWPJFGSA-N 460.273 4.950 50 40 JJGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)sc2c1CCCC2 409198074 WIERORUGMBTLBY-ZMRKYAEKSA-N 488.613 4.969 50 40 JJGB COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br 1098402 SAZFHMCYXOHNBH-KPPOBJLZSA-N 456.178 4.822 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 2121348 LLKXVXCNPCVOHK-LQKURTRISA-N 454.482 4.890 50 40 JJGB CCSc1nc(NNC(=O)c2ccc(OC)cc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2424750 APCCYMAFSITYEZ-QFIPXVFZSA-N 458.609 4.810 50 40 JJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(OCC)cc3)o2)ccc1Cl 10475796 JMPBHVXBCUFPEW-CVKSISIWSA-N 454.910 4.868 50 40 JJGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Br)s1 13524926 VVNNZUBYBXEUOL-MMPXKQJNSA-N 492.439 4.833 50 40 JJGB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33921362 WMVYBBWDFRHJPT-JPZBDXLQSA-N 478.505 4.851 50 40 JJGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1 59472806 MNYILJJCUMNQGF-UHFFFAOYSA-N 455.624 4.899 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59484043 VFDNAFLJLRBJCT-YBEGLDIGSA-N 476.314 4.943 50 40 JJGB CCOc1c(Br)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 101675776 PCBLQGRZDJXGRR-NSIKDUERSA-N 451.324 4.865 50 40 JJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408610580 OJJYBBDPTWFCAX-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408659642 WEEKUPVFOYVSGR-GUYCJALGSA-N 472.727 4.909 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2cccc(Cl)c2)cc1 408861356 CILBLOMFECELSH-LGJNPRDNSA-N 494.375 4.787 50 40 JJGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974005 UJUMQVZJXGNYHG-VMBKIOOXSA-N 463.990 4.921 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C 409005131 CRDZHVQIPIUVRF-QNGOZBTKSA-N 485.540 4.966 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCC(=O)Nc1cccc(C)c1 409007082 MVABYGDWDYEVTP-VULFUBBASA-N 496.361 4.548 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 409017522 RXLQUZBIDMCRFD-KXSOQREMSA-N 494.419 4.759 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1cc(C(=O)O)ccc1Cl 409021320 BBDYXDMJFCNWPD-QDTIIGTASA-N 476.920 4.523 50 40 JJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409259544 AKOBRJGMUKABLA-ZMFRSBBQSA-N 472.328 4.783 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409315146 HYBMYSINZXKYEO-WKIKZPBSSA-N 472.900 4.848 50 40 JJGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)N/N=C/c3ccccc3OC)cc12 1253735 GHULEKWQYVMISP-LQKURTRISA-N 472.497 4.814 50 40 JJGB C/C(=N\OCC(=O)N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1ccccc1 8400460 PAPXHAIVXOMZIR-BSJLCCIXSA-N 484.350 4.671 50 40 JJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 16735989 OGVXOVXEABEZGN-SAPNQHFASA-N 456.889 4.994 50 40 JJGB CCOc1c(I)cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1OC 33763976 KDDSGIFNWHMXHV-VGOFMYFVSA-N 450.232 4.671 50 40 JJGB C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C/C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 62613007 OJCKRNPLOZHAOU-AXBASGCXSA-N 489.653 4.636 50 40 JJGB in-vitro CC[C@]1(C(=O)c2ccc(F)cc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)Oc1ccc([N+](=O)[O-])cc1 100196225 WPCCEFXFLSUION-QGDZQMKYSA-N 475.428 4.621 50 40 JJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1 107694312 BRHCHMGQZBRCSI-MXAYSNPKSA-N 486.297 4.768 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1O 408733900 CMIIPFCFASXXJJ-WUXMJOGZSA-N 468.678 4.513 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(OC)c1 408881806 KQVJHPARLHTIMR-GZTJUZNOSA-N 467.319 4.950 50 40 JJGB Cc1cc(/C=N/NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408999817 XTENSYFQFYZXEO-RWPZCVJISA-N 475.618 4.501 50 40 JJGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 409029198 ZIIQQEUGSXGLBP-NLRVBDNBSA-N 469.994 4.638 50 40 JJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1 409137887 YMRDOFGCTIXWQU-JOCHJYFZSA-N 479.330 4.960 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 409376432 XZPOFBQPSSDOSW-AQTBWJFISA-N 491.931 4.920 50 40 JJGB CC(C)(C)C(=O)OC(=O)NCc1ccc(C(=O)NCCCCCC(=O)OCc2ccccc2)cc1 616580938 DLVJBXIAEFXCML-UHFFFAOYSA-N 482.577 4.519 50 40 JJGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 935015 DPDFERHLSVFSES-JSIHEXFSSA-N 477.973 4.984 50 40 JJGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 2216065 OHOTXZNYJQIDCC-LGJNPRDNSA-N 483.380 4.935 50 40 JJGB CC1(C)[C@@]2(C(=O)Nc3nccs3)CC[C@]1(C(Br)Br)[C@H]2Br 4277163 MLAXNGBDVHHWPH-BLBGDKDGSA-N 487.055 4.767 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 10058855 QGHOBJNNFGZEHB-ISZXUTBVSA-N 458.150 4.847 50 40 JJGB CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 12284799 OJXBVLXFHARSDE-UHFFFAOYSA-N 474.399 4.806 50 40 JJGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 34869204 QHUJMZPHNCFAAB-ZMOGYAJESA-N 457.324 4.782 50 40 JJGB Cc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1C 59401570 QRAMLWQOWNGKBK-CVKSISIWSA-N 469.994 4.611 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c1C#N 59427745 KQWYKSDALRMMMZ-WCMJOSRZSA-N 494.551 4.669 50 40 JJGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1OCc1ccc(F)cc1 408609914 SNDJWXIVIMYFDI-QGZVFWFLSA-N 483.927 4.563 50 40 JJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)c1 408763023 NDJHRPGXYPESEF-XSFVSMFZSA-N 462.527 4.707 50 40 JJGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C)c(C)c2)cc1 408776017 KVSGWLAYWMBOQB-CVKSISIWSA-N 469.994 4.611 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc2c(c1)OCO2 408811381 VJGKDUKEMJKTQF-VMFJMXGVSA-N 462.546 4.995 50 40 JJGB COc1cc(OC)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 408841048 HJWMDMIKQPDWIM-NSKAYECMSA-N 498.914 5.269 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccccc1C 409008495 XGBQCKWGBOKOTE-QNGOZBTKSA-N 461.562 4.767 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1Cl 409312852 MVLLJNYRNGVOED-CYBMUJFWSA-N 480.348 4.852 50 40 JJGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 948136 PVJZPRMPEQGFMR-LFYBBSHMSA-N 477.561 4.909 50 40 JJGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1 3588776 KMJZTRFSVWUHLC-RIYZIHGNSA-N 457.143 4.559 50 40 JJGB N#CC1=NNP(c2ccccc2)(c2ccccc2)(c2ccccc2)O/C1=N/c1ccccc1F 8385460 TXBYUBRDNKJBAG-KDJFERLWSA-N 466.456 4.715 50 40 JJGB Cc1nn(-c2ccccn2)c2nc(-c3ccncc3)cc(C(=O)N/N=C/c3cccc(Cl)c3)c12 9631313 SLLJHRWPVODFIF-WKULSOCRSA-N 467.920 4.603 50 40 JJGB Cc1c(Br)cc(NCC(=O)N/N=C\c2ccc(Cl)cc2)cc1Br 32119777 HISPMRWCOHSDFB-WNFQYIGGSA-N 459.569 4.736 50 40 JJGB CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1cccc(Cl)c1 59472951 NIMLPKAXABYSES-NRDUTDNZSA-N 466.921 4.608 50 40 JJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 408568857 LHRQCOHDOUEXEG-AFUMVMLFSA-N 491.034 4.758 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1C 409021275 ZVFKZUNVQNKTGT-STBIYBPSSA-N 467.525 4.938 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1 409076038 WUTAKFLUJTUNNH-CAPFRKAQSA-N 492.553 4.797 50 40 JJGB CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 1790374 JITLXYAZKPYJAQ-SWEXZPIWSA-N 466.777 4.819 50 40 JJGB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccccc3F)n2-c2ccccc2)cc1 2738854 XUIRPZQENSIFQL-ZNUIVASASA-N 488.592 4.958 50 40 JJGB CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 9019211 GLNJBKINXBRMOU-SLEBQGDGSA-N 471.586 4.971 50 40 JJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2c(Cl)cccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 9360836 PRBGXDCWYFBWCW-KRWDZBQOSA-N 451.870 4.645 50 40 JJGB CC(C)(C)c1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCCc3ccccc3)c3ccccc32)cc1 11692106 VXXKMBOEVGKMOX-QPLCGJKRSA-N 476.580 4.768 50 40 JJGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OCc1cccc(Cl)c1 20259326 BMAWTNPCLGZBPB-AWQFTUOYSA-N 476.916 4.880 50 40 JJGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cccc1[N+](=O)[O-] 28217478 PMJFCRJCZBJURK-FSJBWODESA-N 455.312 4.837 50 40 JJGB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 97961173 VCNJPUHOZKLPOK-UHFFFAOYSA-N 484.430 4.531 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCc1ccccc1 408535523 YSVIWHINSZORSR-CVKSISIWSA-N 483.362 4.956 50 40 JJGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccccc3Cl)CC2=O)cc1 408602621 DZLMEKYISGGLBR-HXUWFJFHSA-N 493.991 4.986 50 40 JJGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1Br 408760454 YWPUOCPNQGWNGE-WQLSENKSSA-N 483.103 4.608 50 40 JJGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc2[nH]c3ccccc3c2c1 408978277 HQLWBDPTOFSOBJ-OOHCFEELSA-N 486.572 4.881 50 40 JJGB CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OCC 409007140 SZNUBICJSNIYQR-WPWMEQJKSA-N 471.985 4.530 50 40 JJGB Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc3c(c2)COC3)cc1 409132660 JRMLVDYMLUNIMW-UHFFFAOYSA-N 479.330 4.771 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1c(F)cccc1Cl 409205297 PGQLJFMBMZMAAI-UETRGQPKSA-N 451.885 4.824 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409259937 IAYJTKDUDSNERW-DEDYPNTBSA-N 471.513 4.581 50 40 JJGB N#C/C(=C/c1cccc(I)c1)c1ccc(I)cc1 409372055 KZHJXAADTJPKSU-JYRVWZFOSA-N 457.052 4.960 50 40 JJGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)cc1 2310866 ISPKTZMTQLRZGR-QHCPKHFHSA-N 461.543 4.592 50 40 JJGB Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1 13129007 LESLXUMLFPPHTM-UHFFFAOYSA-N 490.610 4.688 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336251 LYIAQTNHMDVTML-SDQBBNPISA-N 469.708 4.753 50 40 JJGB COc1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 96669723 ZELBLVLLYSBPKW-GFMRDNFCSA-N 489.579 4.804 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c(OC)c1 101262142 XELQZHHCHDESJV-QFIPXVFZSA-N 465.531 4.938 50 40 JJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(I)cc1 408589870 NGPPTTDOFOBVSM-CIAFOILYSA-N 499.443 4.735 50 40 JJGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc32)c1 408677856 VPLKOHLPBFVOHE-UXHLAJHPSA-N 479.584 4.953 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 408765587 WLCUOTAUVIGZNT-LSFURLLWSA-N 474.138 4.844 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(=O)O 408792996 COFOQYJPAWECIR-NYYWCZLTSA-N 455.681 4.664 50 40 JJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccco1 409131914 ZCYPRNALPXFCFI-NSHDSACASA-N 455.845 4.662 50 40 JJGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 1478284 DOHXDCJHXRCVDE-IMRQLAEWSA-N 487.585 4.584 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2378077 YTRPFSYWQBYOIH-YMGIJWJESA-N 455.539 4.760 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 3112583 WJFNIZNBXUMGPL-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)c1 9203597 YTTCPVAWDRBGIY-CVKSISIWSA-N 482.378 4.726 50 40 JJGB COc1cccc(COc2ccccc2/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 22711097 FOCWUMXMMVNHDL-LQKURTRISA-N 474.948 4.936 50 40 JJGB CCOc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30725498 KYSDMAVCWZBKKU-WGARJPEWSA-N 493.476 4.565 50 40 JJGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650342 JRLDNDFCKWHPKM-VWLOTQADSA-N 456.498 4.921 50 40 JJGB N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 59336164 AJJIIXAWANHSBH-WDZFZDKYSA-N 470.106 4.765 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 408761884 IBWDTEDWGBFTKX-LDADJPATSA-N 461.905 4.912 50 40 JJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 408898890 YDQFOQUXGJUDSG-RQZCQDPDSA-N 485.412 4.721 50 40 JJGB CN(C)c1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 408982799 ZDWBGVJVZPECRD-UJUJBVAOSA-N 493.405 4.527 50 40 JJGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408990239 WJNSXGYIAUOPBG-NVNXTCNLSA-N 477.742 4.899 50 40 JJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(Br)cc2)c(OC)c1 639281 GCJCZYBLIFFGNT-JOCHJYFZSA-N 499.361 4.681 50 40 JJGB O=C(CSc1nnc(SCc2ccccc2)s1)NNC(=S)Nc1ccc(Cl)cc1 1761243 VTTKYNSBSNQGSP-UHFFFAOYSA-N 482.081 4.594 50 40 JJGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 9110416 DVWWBZJAUCKECM-ODCIPOBUSA-N 454.111 4.616 50 40 JJGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 9720507 JBIUBTNOLGKVKF-NABBIIHOSA-N 488.352 4.705 50 40 JJGB CC[C@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20132264 QMPVTJIIONROIP-LURJTMIESA-N 456.985 4.933 50 40 JJGB COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1 35352662 ANYFFVGJLDQTFQ-WGARJPEWSA-N 496.361 4.548 50 40 JJGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1Cl 103368136 LHNPCNIWJBPHIQ-SWNXQHNESA-N 466.944 4.988 50 40 JJGB O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408602330 CYNOZQMZFMCPJX-KRWDZBQOSA-N 453.901 4.554 50 40 JJGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCc1ccccc1Cl 408604372 IJDXOCSTADOKNB-QGZVFWFLSA-N 483.927 4.563 50 40 JJGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCc2ccccc21 408606792 QCIVLWZGVVCTCQ-XSFVSMFZSA-N 450.498 4.604 50 40 JJGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cc2OC)c1 408819555 ZHSFHGZISYBBQY-XHTAEZHFSA-N 464.562 4.893 50 40 JJGB C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N(c1ccccc1)S(C)(=O)=O 408906623 CKGVJRFCTKDEPY-KIQCMGJBSA-N 480.373 4.558 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408923677 ZVDVFTGDCXPUPL-LGUFXXKBSA-N 469.994 4.693 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)O 409050119 ZALYXTAFDGZUED-AWNIVKPZSA-N 468.815 4.767 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(F)cc1 409315047 MOWDDTNPSICQHB-DICXZTSXSA-N 452.482 4.585 50 40 JJGB Cc1cccc(C(O)(C(=O)NN(C(=O)c2cccnc2Cl)c2ccccc2)c2cccc(C)c2)c1 1254894 UQQGZQPEUFNRFV-UHFFFAOYSA-N 485.971 4.966 50 40 JJGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1Cl 8951677 LEERPPPFOUYQOH-IVYNLYIOSA-N 477.973 4.984 50 40 JJGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 9057348 UFWTUHYWLFMFQS-GHRIWEEISA-N 472.413 4.576 50 40 JJGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OCC 12275619 BBBUTUJKLPNVQU-DFBJGRDBSA-N 468.550 4.656 50 40 JJGB Cc1c(Br)cc(NCC(=O)N/N=C/C=C/c2ccccc2)cc1Br 12372377 YBOFKRUVYRKZJC-RCSBLCLSSA-N 451.162 4.747 50 40 JJGB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NNC(=O)c1cc2c(s1)CCC2 12973644 DKEUASJGFGBEIK-UHFFFAOYSA-N 452.388 4.671 50 40 JJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCCCCC)cc1 28632305 QSKWMQYQXIDMIH-WNIQNGNASA-N 487.394 4.948 50 40 JJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 33516447 TZWVAUDIDANCPL-MHWRWJLKSA-N 474.385 4.539 50 40 JJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(Br)c(Br)c1O 35074680 LCDCAGJEUNLYDD-XFFZJAGNSA-N 482.128 4.567 50 40 JJGB O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12)c1ccccc1 96836109 PWHPHVUZXVNBGR-UXCHKTDDSA-N 497.554 4.653 50 40 JJGB O=C(NNc1ccccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408608821 PUJSGJALKKAJOS-SFHVURJKSA-N 480.362 4.524 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)ccc1O 408998676 RUDADCPMEZZWJI-BRJLIKDPSA-N 458.301 4.724 50 40 JJGB C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccc(F)cc1 409245205 OZPOQWIAKOLVLA-CCVNUDIWSA-N 494.592 4.791 50 40 JJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C 1106782 RAGVVDTYVQOUOM-RPPGKUMJSA-N 460.412 4.794 50 40 JJGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 3666908 DWJICAOKFKCBQP-QFIPXVFZSA-N 471.542 4.712 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC 6016615 JWQQMLDDDSOEPF-VULFUBBASA-N 476.558 4.645 50 40 JJGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 16406842 JGEVHLBALUGSMV-CPNJWEJPSA-N 450.472 4.744 50 40 JJGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 19953349 JNIPWNXARDQJOA-UHFFFAOYSA-N 454.379 4.625 50 40 JJGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc(F)cc1 30843200 LZJVSAWNLDNGBU-MBTHVWNTSA-N 464.493 4.590 50 40 JJGB Cc1cc(Br)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3O)cc2)cc1C 32654835 YBLZSNCAYBQIBO-ZMFRSBBQSA-N 496.361 4.553 50 40 JJGB COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 33743120 XOWQFULKKAFLBL-WYMPLXKRSA-N 463.471 4.928 50 40 JJGB O=c1nc(SC[C@@H](Cl)CSc2ccc([N+](=O)[O-])cc2)[nH]c2sc3c(c12)CCC3 36724541 KVHHAIFZOWPDJD-JTQLQIEISA-N 453.998 4.873 50 40 JJGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408616195 XBZKCZZERUOKNV-CVKSISIWSA-N 496.361 4.516 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1 408758319 IVMDTWZVBXBIIU-STBIYBPSSA-N 455.514 4.742 50 40 JJGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 408825608 DHXIOWJFXIMQNN-JFLMPSFJSA-N 478.390 4.780 50 40 JJGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cc(Cl)ccc1O 408876804 NZHNCYPZTGNMNC-QPJQQBGISA-N 487.752 4.557 50 40 JJGB C#CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409048385 WIAAOYJWBCHBGG-WPWMEQJKSA-N 452.539 5.330 50 40 JJGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409183004 RBYBUUKKXNUOEU-LUOAPIJWSA-N 472.328 4.863 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OCC 409320567 BXBJTIBBAJPQNF-VEILYXNESA-N 475.545 4.656 50 40 JJGB C[C@H]1CCCCN1c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-] 409334890 MNYFIGDPUVEUAN-AMRJIULGSA-N 453.506 4.677 50 40 JJGB O=C(N/N=C/c1cccc(Cl)c1)c1nn(Cc2ccc(Br)cc2)cc1Br 1091968 BPSCKHCLUSMHDX-LSFURLLWSA-N 496.590 4.874 50 40 JJGB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(N(CCCl)CCCl)cc1 1772598 NYHFJYYJQHIJQX-BVYAJCBJSA-N 458.433 4.998 50 40 JJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 3072821 AMBCGHZRWOOURT-LGJNPRDNSA-N 456.329 4.970 50 40 JJGB N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 12360691 VIDQWQZUMHOHPO-QGZVFWFLSA-N 459.600 4.572 50 40 JJGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1 16712222 BGWCVEGXCQAQSQ-WGOQTCKBSA-N 462.966 4.615 50 40 JJGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)c(C)c1 16741519 GYCADMGEPHREBA-IWIPYMOSSA-N 466.541 4.859 50 40 JJGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 59272312 MFTNSNPHXFWIFF-RIYZIHGNSA-N 460.284 4.700 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 59472834 WYYQYLPGGABHGY-DHRITJCHSA-N 496.803 4.992 50 40 JJGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 408743576 GUEHTBNZGCZMAM-WDZFZDKYSA-N 481.100 4.674 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1C#N 408811109 LAVPFPYRKRGLSC-PCLIKHOPSA-N 451.526 4.802 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409218360 IICZLAVSLZCLIP-KGENOOAVSA-N 455.514 4.875 50 40 JJGB CCn1c(SCC(=O)N/N=C/c2c(OC)ccc3ccccc23)nnc1-c1ccc(C)cc1 1477745 YYFQWKJCXXFSFF-CVKSISIWSA-N 459.575 4.678 50 40 JJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1C 3116454 WJHDZQNHXWWQGB-VULFUBBASA-N 481.346 4.814 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)COc1ccc(Br)c(C)c1 8856220 CJMMJDZKIVYOBC-ZVHZXABRSA-N 466.763 4.619 50 40 JJGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccc(F)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558570 KLOSFSRCJWTEMR-QHCPKHFHSA-N 473.529 4.661 50 40 JJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 27519968 QUGBCIZHNAGDMF-WYMPLXKRSA-N 457.273 4.918 50 40 JJGB COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 32576874 GXLYURVRGZGUAK-WGARJPEWSA-N 464.978 4.989 50 40 JJGB COC(=O)N/N=C(\C)[C@@H](CN1CCCCC1)[C@H](C1=C(O)c2ccccc2OC1)c1ccccc1 102957207 AEKMAVFCRPYIEQ-FHBAJMKLSA-N 463.578 4.966 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Cl)c1OCc1ccccc1 408606953 MRQHKONPQFOOEC-GOSISDBHSA-N 497.954 4.953 50 40 JJGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)cc1 408759726 KJZKCXDDXOJASK-AFUMVMLFSA-N 454.368 4.948 50 40 JJGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408860998 KQBYQLSVRVLCDD-MZJWZYIUSA-N 495.910 4.704 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC 408892114 BEKDAGXZDDWUHH-WUXMJOGZSA-N 480.702 4.964 50 40 JJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)ccc1I 408992696 AZZVNDDQYBVHOS-YDZHTSKRSA-N 457.315 4.771 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1F 409309375 GIADRAKUIUDXLW-DICXZTSXSA-N 452.482 4.585 50 40 JJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1OC 409312070 JSUZYWJQLNKUEM-OYKKKHCWSA-N 477.355 4.584 50 40 JJGB C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1cc(I)c(O)c(OCC)c1 409336668 UULXLBWVVOLIHG-OVCLIPMQSA-N 461.303 4.819 50 40 JJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409358217 KSJXFIWKTTXHCU-AUEPDCJTSA-N 477.702 4.833 50 40 JJGB COc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409377860 LRBIKDBOIXOPNS-BKUYFWCQSA-N 455.514 4.875 50 40 JJGB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NNC(=O)c1cccs1 2644879 KPZPVYYNDVWEJG-UHFFFAOYSA-N 479.945 4.543 50 40 JJGB COc1c(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br 6905700 KNAUHCLNFWWNFQ-UFWORHAWSA-N 490.977 4.747 50 40 JJGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 9140205 YAMMDVANOOZRQB-UHFFFAOYSA-N 489.538 4.583 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12406516 KHSSIEXZRUEKGW-FSJBWODESA-N 470.825 4.721 50 40 JJGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 13301381 VIFPWJGARWXBIY-NRFANRHFSA-N 484.503 4.901 50 40 JJGB CCN(CC)c1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 32581123 JCDGCJYURQEPEU-OMQPNUEVSA-N 483.616 4.520 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1OC 33709485 MGBNZWPKMVVVCI-MBTHVWNTSA-N 495.963 4.837 50 40 JJGB O=C(N/N=c1/oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1)c1cccc(Br)c1 50839322 CUAZSHBXDIGZIH-WEMUOSSPSA-N 475.302 4.690 50 40 JJGB B[PH]1(c2ccccc2)c2ccccc2[C@@H](C)N1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 226346634 ZFAULKJGRKPHBW-XMMPIXPASA-N 479.489 4.787 50 40 JJGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408529990 KQMZPOQDPKESPS-MZJWZYIUSA-N 482.378 4.907 50 40 JJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 408763221 IIBMOOKDOWEOBM-WYMPLXKRSA-N 458.257 4.885 50 40 JJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I 408791812 CWBCAJJKWMCHDI-GXDHUFHOSA-N 462.674 4.502 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCC(=O)OC 408794795 SYIDYBQJFUQWOC-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB Cc1cc(NC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)ccc1Br 408850116 GGPGHJIHUSOSBT-JMIUGGIZSA-N 470.165 4.869 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)O)c1 408851379 YHLYKQHTNGVICW-NUJZUDFISA-N 486.446 4.684 50 40 JJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408889820 JLWHICAVTJNGDJ-FSJBWODESA-N 470.825 4.721 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408894566 RGLJUFKMHSBTNJ-KGENOOAVSA-N 476.554 4.934 50 40 JJGB Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c3ccccc32)c1 409375147 GGJKSWQLYJKZLS-RGEXLXHISA-N 450.498 4.840 50 40 JJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409375317 IZOWCEBDXCSBSZ-DICXZTSXSA-N 481.936 4.529 50 40 JJGB CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 1022834 ZARIWPINHRJFJH-OAQYLSRUSA-N 495.004 4.895 50 40 JJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(O)c(Br)cc1Br 3077049 HXNHGJUJFUTKMK-AUEPDCJTSA-N 477.156 4.633 50 40 JJGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 58880944 DZJCUVOQSWMNNL-RWPZCVJISA-N 492.963 4.570 50 40 JJGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 105055177 DQBCGFKDMHIPLW-LGJNPRDNSA-N 472.328 4.670 50 40 JJGB COc1cc(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c1O 408742066 USBPEQCXRJBSDM-BHGWPJFGSA-N 476.758 4.988 50 40 JJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(Br)cn34)c2C)cc1 408774858 QVLQGRQSFLKIDU-BRJLIKDPSA-N 464.367 4.885 50 40 JJGB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccco2)cc1 408838550 GAFYBAOZJBUWKD-QMBOSRDASA-N 479.492 4.915 50 40 JJGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 409080282 MRZSEXYVTMGUSL-FOKLQQMPSA-N 479.705 4.767 50 40 JJGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 409111809 CUQRCSXLIXSGBF-UBXTYJAUSA-N 465.550 4.783 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)cc1 409186935 JVJUMHJVPUFTTH-FRCZCHFJSA-N 450.546 4.701 50 40 JJGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 409261369 AVRQJBULFUWVLE-ATVHPVEESA-N 476.876 4.811 50 40 JJGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 714312 RSBRDCAHAXEYAG-OAQYLSRUSA-N 492.988 4.513 50 40 JJGB C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccco1 1240906 TTXMZVDGDLSVDC-JVWAILMASA-N 492.626 4.860 50 40 JJGB Cn1cccc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 1752277 MLCKPZNYWFDZTE-WSDLNYQXSA-N 453.618 4.565 50 40 JJGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)cc1 9088411 OGRGFFDAAXBTAI-DEOSSOPVSA-N 499.592 4.985 50 40 JJGB CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 9763206 OSOBHDIGHRVEQZ-NCELDCMTSA-N 499.192 4.802 50 40 JJGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 16158035 YHPDODHIDNSOPX-ZMOGYAJESA-N 485.294 4.665 50 40 JJGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 33642281 SBNWYSLUDDZITE-OQLLNIDSSA-N 496.386 4.827 50 40 JJGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 33665431 AHMYMWPQXWWJJJ-ZMFRSBBQSA-N 471.872 4.668 50 40 JJGB C[C@@H]1C[C@H](C)[C@H](O)/C(C#N)=C\C=C/C[C@H]([C@@H]2CCC[C@@H]2C(=O)O)OC(=O)C[C@H](O)[C@H](C)C[C@H](C)C1 49722507 OJCKRNPLOZHAOU-YMHMJZEDSA-N 489.653 4.636 50 40 JJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408790313 VNKSEWQDFKXRKG-VCHYOVAHSA-N 456.926 4.843 50 40 JJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)cc1 408896899 URMCSLQVZPFREF-UDWIEESQSA-N 482.452 4.981 50 40 JJGB COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c2ccccc12 409010700 DIBJFHWRGHVFRO-KSWAXPHNSA-N 475.589 4.525 50 40 JJGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Br)cc1 409136802 ZPTRWBGKHUZABP-NRFANRHFSA-N 481.350 4.677 50 40 JJGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccccc2)cc1 1825667 JBDKBTQRANHYNV-YZSQISJMSA-N 457.559 4.575 50 40 JJGB O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 1954144 GHPKJANWIVEBBC-ZVHZXABRSA-N 471.298 4.646 50 40 JJGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)COc1ccc(C)cc1Br 16284650 JKGZOOYVTNBEOJ-WYMPLXKRSA-N 487.181 4.964 50 40 JJGB CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccccc1 18210734 BNBBIOFPTMMFRR-LQKURTRISA-N 460.530 4.759 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 19953198 LUVIXGKBZULDGO-WPWMEQJKSA-N 463.603 4.772 50 40 JJGB CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)CSCc1ccccc1 20168665 IYLFYOGUXVNGJH-UHFFFAOYSA-N 499.683 4.767 50 40 JJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC(=O)O 33863958 UZIBTFAAYDITBQ-YVLHZVERSA-N 485.334 4.585 50 40 JJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1 33959293 RYPUMPFKFMCEOV-LGJNPRDNSA-N 473.312 4.994 50 40 JJGB O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccc(Cl)cc1Cl 103739763 YHEDPLQRBAOTGA-LKUDQCMESA-N 469.284 4.583 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108014573 RZXZGQWPWIACDE-ZRGSRPPYSA-N 485.993 4.915 50 40 JJGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408608352 HFMWEVAYSFGADL-CCVNUDIWSA-N 470.356 4.647 50 40 JJGB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1Cl 408736267 ACTLSYMHKMMQKC-OAHNOQMOSA-N 475.376 4.918 50 40 JJGB COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OC 408877735 UEKFYFYOHLYEJV-SRZZPIQSSA-N 457.777 4.752 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 408898517 WMPGZYWPWFIGAN-CPNJWEJPSA-N 477.498 4.525 50 40 JJGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccccc1C#N 408969478 OIQVFCWXTJQIOW-RWPZCVJISA-N 455.470 4.665 50 40 JJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)c1 408994267 YTMRVXFOOZZYDV-CPNJWEJPSA-N 497.540 4.884 50 40 JJGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1 409194983 OAIDPBPAGIZHIQ-VJWWNUEDSA-N 478.346 4.794 50 40 JJGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1NC(=O)c1ccccc1 409199115 BMFTXPGYCBABQO-MIXAMLLLSA-N 466.541 4.685 50 40 JJGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OC 409363118 KZPIRUIRXMQYOA-YSMPRRRNSA-N 483.362 4.738 50 40 JJGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1 409366615 XCMTWYKNRMQZKW-MIXAMLLLSA-N 452.510 4.883 50 40 JJGB COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1806704 OXOGYWDQGWAZFR-UFFVCSGVSA-N 465.025 4.735 50 40 JJGB N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9375609 QUEIKVQKBUGMGE-UVTDQMKNSA-N 493.342 4.754 50 40 JJGB Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c2Cl)cc1 14136366 JKSVPOLSAJEJST-HCBMXOAHSA-N 472.163 4.844 50 40 JJGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 20059615 HAYYEUVZOFTZHB-UHFFFAOYSA-N 454.379 4.625 50 40 JJGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2)C2CCCCC2)c(C)c1 33551955 NCIIBTMXVJXSKV-YSMPRRRNSA-N 476.042 4.739 50 40 JJGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 59473145 SDDIMDWMUQSTRP-CVKSISIWSA-N 450.560 4.666 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1[N+](=O)[O-] 59499225 BBGFZQKCHREDJB-YDZHTSKRSA-N 454.280 4.700 50 40 JJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C)c(Cl)c(C)c3)o2)cc1 67192511 CJITXYPDGFSUFS-LGJNPRDNSA-N 454.910 4.923 50 40 JJGB CCN1C(=O)/C(=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2cc(Br)ccc21 103601878 RKVIDBULSTXVAS-DAFNUICNSA-N 462.303 4.849 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccccc1 408602602 DXAVKIWOAZJPAK-JOCHJYFZSA-N 473.573 4.777 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC(=O)OC 408789759 KZBHGWTVXHLJGG-RQZCQDPDSA-N 487.350 4.562 50 40 JJGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 408807003 NWEKGZHCNYCIKP-ORQVUMBKSA-N 453.542 4.727 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)cc1 408965429 HMMINIAHHOOFNA-LQKURTRISA-N 454.482 4.890 50 40 JJGB Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 409137978 XTJKAAIYWMRREK-DHRITJCHSA-N 493.416 4.561 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)Cc3cccc4ccccc34)c3ccccc32)o1 409391778 JSQKRTVSISHZIS-MUFRIFMGSA-N 465.509 4.915 50 40 JJGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccc(O)cc2)c1Br 3059800 LSBQWZBBQLPSBB-LSFURLLWSA-N 484.188 4.878 50 40 JJGB O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1 13856788 BURYDICNXWXLQG-FXAWDEMLSA-N 486.952 4.726 50 40 JJGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccccc3s2)=C(C#N)[C@@H]1c1ccco1 20065847 NVPWBYPDIHUGGC-OAQYLSRUSA-N 492.582 4.686 50 40 JJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 23410998 MJCQFPQPVAYFET-LSHDLFTRSA-N 484.188 4.744 50 40 JJGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 28214541 BLJCYVKWIFGZHX-RUDJBYLXSA-N 475.614 4.715 50 40 JJGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 59104343 KWTVCVQRJJQBTB-UNOMPAQXSA-N 492.373 4.607 50 40 JJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C(/C(=O)c1ccccc1)c1ccccc1 106015816 DXOYYKQVNDAJRH-TVKQRKNISA-N 459.505 4.558 50 40 JJGB COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1Cl 408771448 ICMJBGSZIYJSHP-JFLMPSFJSA-N 495.988 4.571 50 40 JJGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 408856946 IMGRFDBRMVCTNE-UHFFFAOYSA-N 471.623 4.806 50 40 JJGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N 408975753 MSPATUAKTLYSGR-VIZOYTHASA-N 488.762 4.933 50 40 JJGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1 408982814 ZFPXZLFPRROHEN-UMFTVLFGSA-N 484.896 4.836 50 40 JJGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(C)cc2)C2=C1CC(C)(C)CC2=O 409134399 ODJICJPZTKWHQY-SANMLTNESA-N 471.601 4.957 50 40 JJGB N#C/C(=C/c1cc(I)c(O)c(I)c1)c1ccc(C#N)cc1 409368976 VTXSMZJOJZFUEL-ACAGNQJTSA-N 498.061 4.537 50 40 JJGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 934997 NJAZWWPWSIPJOG-YMGIJWJESA-N 457.555 4.639 50 40 JJGB Cc1cccc(OCC(=O)N[C@H](C)C(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c1 2121951 FFTKZWOSYRXSJV-MIHYEXDHSA-N 487.600 4.533 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CCC3)ccc1O 2205042 KAFVDUXACGKLIV-HSZRJFAPSA-N 495.988 4.855 50 40 JJGB O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1cccc([N+](=O)[O-])c1 3079585 HAMIFEWILSBHON-KEBDBYFISA-N 469.460 4.621 50 40 JJGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 4761487 UISBRRSHOFJLRB-RUZDIDTESA-N 487.581 4.779 50 40 JJGB CCCc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 9972395 MQDUDCLVBMDXNM-SSEXGKCCSA-N 487.563 4.744 50 40 JJGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C#N 16267850 LEJVGLAVLPXWQJ-NSKAYECMSA-N 473.316 4.504 50 40 JJGB COc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(I)c1O 36040318 IYQVPDMRIOLQMI-LKTRMCAWSA-N 492.357 4.557 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 108144019 YJKFXQVQWWIQSB-KKMKTNMSSA-N 490.318 4.679 50 40 JJGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Cl 408907339 MEMHDPNAIZVROT-UYOCIXKTSA-N 489.153 4.772 50 40 JJGB N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1nc2ccccc2o1 409067669 PFPMWLFRECVXIK-VZUCSPMQSA-N 478.096 4.880 50 40 JJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2c1 409187175 NBFXKJNATMQQGF-YUMHPJSZSA-N 457.486 4.613 50 40 JJGB COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 409224794 LXUUGVWTHYETSB-ROTLSHHCSA-N 488.283 4.893 50 40 JJGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409227590 QKSYVGIVQQXWDZ-NLKUQUHMSA-N 456.498 4.757 50 40 JJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409312443 KZQDNGSMXPCDLK-QQXSKIMKSA-N 463.490 4.735 50 40 JJGB O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccco1 409373041 SILIFOLGMYNLRQ-FSJBWODESA-N 469.282 4.651 50 40 JJGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)o1 409392762 NMXHVVJNAAQALN-ZHZULCJRSA-N 492.535 4.816 50 40 JJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(I)ccc1Cl 3068725 DWIXSFKXDQXUET-UFFVCSGVSA-N 495.660 4.877 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(C#N)cc1 8811162 KYWQJRQRQLVUJI-WKULSOCRSA-N 493.947 4.970 50 40 JJGB O=C(CCCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12 8871560 MXQPCAXLOKBGOJ-GFTXTJKWSA-N 470.577 4.980 50 40 JJGB CC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 9311779 KUCWVQJHRTWPIR-NDZAJKAJSA-N 465.553 4.683 50 40 JJGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nnc2-c2ccccc2)cc1 9428546 JKIULOUBWVJCCI-LFVJCYFKSA-N 463.588 4.637 50 40 JJGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 15133994 VGDFDTDNLAYNBN-OUPLGOGSSA-N 486.528 4.695 50 40 JJGB CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O 408569313 NDUYCYNDYYQGKK-SSDVNMTOSA-N 497.436 4.561 50 40 JJGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)NCc1ccco1 408605112 KPVQEXFZQWCDER-UDWIEESQSA-N 470.529 4.931 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 408658097 UVFVMLZWOOSVHJ-OXQOHEQNSA-N 464.345 4.515 50 40 JJGB Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408856457 CBVGAVNPNDHRCY-RWPZCVJISA-N 489.519 4.668 50 40 JJGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408876069 MLYWZYLKVUENBP-NTUHNPAUSA-N 452.679 4.889 50 40 JJGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409176419 MVGJLOKKYXYTER-FOKLQQMPSA-N 479.705 4.767 50 40 JJGB COc1cccc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409186917 JNDQNGONVVVLEE-MXAYSNPKSA-N 453.882 4.781 50 40 JJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(I)cc1 409378929 SKVGIYWQXLNGMH-SFQUDFHCSA-N 483.309 4.950 50 40 JJGB COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1 713590 MCZFIMVTYWQJHQ-DEOSSOPVSA-N 489.572 4.662 50 40 JJGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])s1 8824944 DQPVTYWJTZSUBM-BRJLIKDPSA-N 477.420 4.899 50 40 JJGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 13526539 TVDOBZZYSYKFFL-RAVTVXNDSA-N 488.632 4.882 50 40 JJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16735476 AHPTZPBNODGPPA-SAPNQHFASA-N 456.889 4.994 50 40 JJGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl 20059522 CYXQNRDUTAHINH-DHRITJCHSA-N 496.803 4.992 50 40 JJGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OC 28217850 RFAYJGWXCVTIIV-VULFUBBASA-N 499.361 4.818 50 40 JJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)c1 408591988 WXLKUCRMSOYYFM-DHRITJCHSA-N 484.350 4.503 50 40 JJGB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC 408605930 NOLRYQWHPSFXKP-JOCHJYFZSA-N 475.574 4.508 50 40 JJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccccc1F 408608728 IKQOBEZUUXMFQS-RPPGKUMJSA-N 460.292 4.800 50 40 JJGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(F)c3)c2C)ccc1I 408746563 FFYDPIXIILSRRR-WYMPLXKRSA-N 491.304 4.610 50 40 JJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(Br)c2)cc1 408760276 VWOJUXCEWSUORR-NTUHNPAUSA-N 494.139 4.691 50 40 JJGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 408856817 DWKAHFBFVJZYBO-VFCFBJKWSA-N 481.593 4.881 50 40 JJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(OC)c1 408877484 VLADHLXSFFEFQT-YDZHTSKRSA-N 472.541 4.823 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(C)cc1 408897122 VVZTXCUXWRCBIV-AFUMVMLFSA-N 467.319 4.749 50 40 JJGB COc1ccc(CCCC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 408905760 DLLSIUOVGDDARQ-WPWMEQJKSA-N 461.518 4.964 50 40 JJGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1Cl 409325926 DBGQUUHADFNSRL-OAHLLOKOSA-N 462.358 4.713 50 40 JJGB COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1OC 409334716 MQTYOKKESFQIKK-ZMFRSBBQSA-N 487.325 4.948 50 40 JJGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1ccc(Cl)c(Cl)c1 958350 KLFWBRYQBSDFSO-KIBLKLHPSA-N 457.342 4.582 50 40 JJGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)ccc1OC(C)=O 2187957 JGJDTZMDDMRJJQ-RAQUAXEKSA-N 499.361 4.844 50 40 JJGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Cl)cc3)nc12 2428571 UWCVQHMYOGQBRY-CAPFRKAQSA-N 484.943 4.715 50 40 JJGB COc1ccc2c(c1)c(CC(=O)NNC(=O)c1cc(C)oc1C)c(C)n2C(=O)c1ccc(Cl)cc1 3408005 PXDNIKWMBYWDRB-UHFFFAOYSA-N 493.947 4.514 50 40 JJGB O=C(Cn1cc(/C=N/NC(=O)c2cccc(Br)c2)c2ccccc21)Nc1ccc(F)cc1 9311054 ZBJDPAYQJJKKRF-UVHMKAGCSA-N 493.336 4.946 50 40 JJGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 14920634 LTUMCUNQUVVJIT-ZOCVZFIWSA-N 465.145 4.611 50 40 JJGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58913497 DUWOTAAMDOVDPP-RPPGKUMJSA-N 473.360 4.807 50 40 JJGB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1 97994596 IEDXFLCLOMYXNQ-CYVLTUHYSA-N 487.025 4.516 50 40 JJGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)c1 408724209 HWKTTYKQMHGQHU-OGLMXYFKSA-N 454.530 4.937 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408725023 IFMNQUXZDODZPM-YBEGLDIGSA-N 476.314 4.943 50 40 JJGB CCc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 408774364 VIRISXYDKLJJDI-CVKSISIWSA-N 490.412 4.901 50 40 JJGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1 408973601 UOOOPYZVTODCGM-WNAPKEKISA-N 484.383 4.639 50 40 JJGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409314829 HJJDZHQUDBISRZ-HNNXBMFYSA-N 462.358 4.713 50 40 JJGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccc1[N+](=O)[O-] 1823241 TZJOMYYDGSTLDD-AWQFTUOYSA-N 479.996 4.634 50 40 JJGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 8842930 RMXZRBPGTVAUOV-FJEPWZHXSA-N 467.447 4.857 50 40 JJGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccs3)cc2Br)cc1 9934543 QXWXSAATZZEYJZ-SSDVNMTOSA-N 459.321 4.552 50 40 JJGB O=C(CCCCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1)N/N=C/c1ccc(C(F)(F)F)cc1 12661084 IZMVDFPWARFAQS-HZUVFDMRSA-N 486.416 4.885 50 40 JJGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(C)c3ccccc3)c2C)cc1 13095543 PCWSRFHRIASKAF-KYCFSCSMSA-N 471.557 4.995 50 40 JJGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 13777344 JRHXETXHEBTWPR-PTGBLXJZSA-N 478.552 4.624 50 40 JJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(I)c1 14923664 WCUQXQHJJGHWKH-RGVLZGJSSA-N 487.135 4.606 50 40 JJGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 58925386 OKRLZMQORIWRPJ-NHFJDJAPSA-N 484.021 4.969 50 40 JJGB C[C@@H]1CCCC/C1=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 101082577 SCGIGAFUXBXNBT-YMVIQGDUSA-N 464.385 4.546 50 40 JJGB CCOc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1 408608319 PBFGLDBSLGZVFR-LJQANCHMSA-N 479.964 4.814 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408677117 PLDCYYHUJKIWIQ-MTDXEUNCSA-N 488.544 4.937 50 40 JJGB CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408746569 FHLHREUCHWHDFU-YSMPRRRNSA-N 487.781 4.887 50 40 JJGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(Br)cc1 408785497 GPCFAGZECMXOQL-UHFFFAOYSA-N 486.476 4.992 50 40 JJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409225775 OUAJUINTACPGLK-CIAFOILYSA-N 489.959 4.898 50 40 JJGB C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OCc1ccc(C)cc1 409228296 WXOAPTDUIYWTCA-RWPZCVJISA-N 490.629 4.960 50 40 JJGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl 1301255 RDOOROSDPKMLEU-JOCHJYFZSA-N 467.978 4.889 50 40 JJGB COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2OC)c1 1435254 KJCSSBGDBPVDJI-MUFRIFMGSA-N 490.556 4.884 50 40 JJGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C=C\c1ccco1 12464579 UTQLNGPYTCPERD-WNTDWIKMSA-N 450.998 4.984 50 40 JJGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 16269004 FGMPGLRZTSSMPD-CCVNUDIWSA-N 479.577 4.844 50 40 JJGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1C 27018956 TUVHMEAQHADDMQ-GJISQHIDSA-N 468.557 4.615 50 40 JJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408723576 WWXDQIMVYPIFFY-LSHDLFTRSA-N 478.686 4.800 50 40 JJGB N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc(I)cc1 408763151 HVYVPWBVNDHVPK-QINSGFPZSA-N 484.249 4.649 50 40 JJGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccccc1I 408766091 OMLMWHYDEOMGDQ-XFXZXTDPSA-N 453.077 4.599 50 40 JJGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 408925613 SJGCUMIWIBFKCZ-SAPNQHFASA-N 468.918 4.662 50 40 JJGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 409017044 VSOWOXWUDQDQFN-NUJZUDFISA-N 489.915 4.695 50 40 JJGB Cc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409026444 PFCPKOLYEQXWQA-AFUMVMLFSA-N 476.385 4.647 50 40 JJGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C 409029269 XZMXFLFPRAAACZ-OEAKJJBVSA-N 456.395 4.727 50 40 JJGB Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1C 658952 AYZRKKQRGKKLFK-JFLMPSFJSA-N 484.021 4.995 50 40 JJGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1ccccc1)OCO3 3628412 CCVYPYYLCLKFEH-HSZRJFAPSA-N 477.314 4.975 50 40 JJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OC(C)C 8812858 GNLXIBUBRREGBM-UFFVCSGVSA-N 470.161 4.771 50 40 JJGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 8972644 OPHMPPRDDYTLAQ-RBUKOAKNSA-N 490.368 4.943 50 40 JJGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccccc1Cl 9428553 LJGKCNTVZYIQNO-OGLMXYFKSA-N 476.989 4.980 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccccc1 9831806 LJANDAHFNXMKBU-HSZRJFAPSA-N 479.330 4.960 50 40 JJGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 9883554 PLXFEIBIMBPSBE-MHWRWJLKSA-N 469.328 4.864 50 40 JJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1 13838637 GPNUHKKWZHJYOD-SKKJWADRSA-N 484.188 4.960 50 40 JJGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 20073462 DLXYUAMAELRHMP-TURZUDJPSA-N 486.549 4.797 50 40 JJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 27563855 AZSHXHGFTSOZDG-MHWRWJLKSA-N 495.875 4.682 50 40 JJGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 28215536 USEHVQLFWVUOFR-DHRITJCHSA-N 486.753 4.884 50 40 JJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 59104297 TZUUZOKRJZXACA-HAHDFKILSA-N 466.541 4.628 50 40 JJGB Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCOc2ccc(C(C)(C)C)cc2)c2ccccc21 103041206 GYTDLRFPWBSZET-TVKQRKNISA-N 485.584 4.617 50 40 JJGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 105066314 BNWGGEBOIXHFPM-ZMOGYAJESA-N 484.306 4.709 50 40 JJGB COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 105071994 LVFUOBJJGRSVDY-MFKUBSTISA-N 453.336 4.730 50 40 JJGB O=C(COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)c(Cl)c1 408550017 AQLTUFHBHAEVEX-ROTLSHHCSA-N 487.299 4.683 50 40 JJGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408781027 QAZSZGTTZHGIJQ-ZROIWOOFSA-N 480.277 4.773 50 40 JJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 409221860 BHRJYINHIHQVDW-LTGZKZEYSA-N 455.514 4.957 50 40 JJGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)c1OC 2433467 JLGXVBTYJWXZMB-KRWDZBQOSA-N 486.391 4.686 50 40 JJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2901330 YJCHCUQNBMLEOB-VULFUBBASA-N 466.335 4.539 50 40 JJGB Cc1ccsc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N 9014884 MNOVJRFNNBGTSK-CQSZACIVSA-N 462.394 4.530 50 40 JJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 9144627 AHDFPCUEJKAUSF-XODNFHPESA-N 459.399 4.512 50 40 JJGB COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)CCCl)CC2 9391372 YAPRMTPGJKHLCH-SFHVURJKSA-N 457.876 4.856 50 40 JJGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 9427537 APZQOLAEIZTXMA-ITYLOYPMSA-N 457.559 4.575 50 40 JJGB COC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc2c1CC[C@@H](C)C2 20572235 FBHBBIAFDNJWNE-LLVKDONJSA-N 459.618 4.506 50 40 JJGB COc1ccc(OC)c(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 28350515 XHSYYHGLPLGVLR-VYYCAZPPSA-N 495.004 4.998 50 40 JJGB Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58911915 BSFIVQFZZWCYBK-WEPAEKJRSA-N 457.361 4.728 50 40 JJGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccncc4)cc3[C@@H]3C=CC[C@@H]32)cc1 58917807 XXIVSKUFXLHCFT-YAECIACVSA-N 466.541 4.849 50 40 JJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1C 59248029 SIQKKBQLGILWNW-NKVSQWTQSA-N 457.486 4.653 50 40 JJGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)C1 102647457 JFBBJPXITIABBU-CIWHBDSSSA-N 464.997 4.679 50 40 JJGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OC 107759600 NODQEPZPOIRNPR-ZMOGYAJESA-N 457.324 4.782 50 40 JJGB COc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 108007060 RFCZMBDIDBPSNE-ZMFRSBBQSA-N 470.888 4.661 50 40 JJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408542075 GUAQSWIZTQAZKJ-OCKHKDLRSA-N 461.481 4.989 50 40 JJGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccc(Cl)cc1 408607583 NGKHMSLWZHYAIC-GOSISDBHSA-N 497.954 4.953 50 40 JJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 408796834 PLDSWTQIJZSTHK-GXDHUFHOSA-N 451.822 4.840 50 40 JJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 408965861 JHCSRQHGJZEZKR-KBKYJPHKSA-N 460.368 4.573 50 40 JJGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 409130605 WTGZYXSFHMJRTC-JOCHJYFZSA-N 494.389 4.767 50 40 JJGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c(O)c1 409391808 LNPPCVORNNHBLN-ZMOGYAJESA-N 455.308 4.506 50 40 JJGB CCCOc1ccc([C@H]2CN(C(=O)CCl)[C@](C)(C(=O)OCC)c3[nH]c4ccccc4c32)cc1OC 1083103560 PGYRJPUXBDVEQD-WINIVTDRSA-N 499.007 4.957 50 40 JJGB